From e795c10fa7ac1ab04640cec863518fd0c29b72de Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Mon, 18 Sep 2023 16:15:24 -0500
Subject: [PATCH 001/318] moved the user guide

---
 docs/CMakeLists.txt              | 10 +++-------
 docs/source/index.rst            |  4 ++--
 docs/source/user_guide.rst       |  5 -----
 docs/source/user_guide/index.rst | 12 ++++++++++++
 include/micm/version.hpp         |  4 ++--
 5 files changed, 19 insertions(+), 16 deletions(-)
 delete mode 100644 docs/source/user_guide.rst
 create mode 100644 docs/source/user_guide/index.rst

diff --git a/docs/CMakeLists.txt b/docs/CMakeLists.txt
index f7c930fdd..dd0c5b382 100644
--- a/docs/CMakeLists.txt
+++ b/docs/CMakeLists.txt
@@ -41,21 +41,17 @@ set(SPHINX_BUILD ${CMAKE_CURRENT_BINARY_DIR}/sphinx)
 set(SPHINX_INDEX_FILE ${SPHINX_BUILD}/index.html)
 
 add_custom_command(
-  OUTPUT ${SPHINX_INDEX_FILE}
+  OUTPUT ${SPHINX_INDEX_FILE} __fake_file_to_ensure_this_always_run
   COMMAND 
     ${SPHINX_EXECUTABLE} -b html
     # Tell Breathe where to find the Doxygen output
     -Dbreathe_projects.micm=${DOXYGEN_OUTPUT_DIR}/xml
   ${SPHINX_SOURCE} ${SPHINX_BUILD}
   WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
-  DEPENDS
-  # Other docs files you want to track should go here (or in some variable)
-  ${CMAKE_CURRENT_SOURCE_DIR}/source/index.rst
-  ${CMAKE_CURRENT_SOURCE_DIR}/source/getting_started.rst
-  ${CMAKE_CURRENT_SOURCE_DIR}/source/user_guide.rst
-  ${DOXYGEN_INDEX_FILE}
   MAIN_DEPENDENCY ${SPHINX_SOURCE}/conf.py
   COMMENT "Generating documentation with Sphinx"
+  # run this command each time. This way we don't have to keep track of each individual rst file
+  ALWAYS
 )
 
 add_custom_target(docs ALL DEPENDS ${SPHINX_INDEX_FILE})
diff --git a/docs/source/index.rst b/docs/source/index.rst
index 9e321b597..7c06c60f7 100644
--- a/docs/source/index.rst
+++ b/docs/source/index.rst
@@ -22,7 +22,7 @@ Welcome to MICM's documentation!
 
     .. grid-item-card::  User guide
         :img-top: _static/index_user_guide.svg
-        :link: user_guide
+        :link: user_guide/index
         :link-type: doc
 
         Learn how to configure micm for your mechanisms here!
@@ -48,7 +48,7 @@ Welcome to MICM's documentation!
    :caption: Contents:
 
    getting_started
-   user_guide
+   user_guide/index
    api/index
    contributing/index
    citation
diff --git a/docs/source/user_guide.rst b/docs/source/user_guide.rst
deleted file mode 100644
index 181084693..000000000
--- a/docs/source/user_guide.rst
+++ /dev/null
@@ -1,5 +0,0 @@
-
-
-##########
-User Guide
-##########
diff --git a/docs/source/user_guide/index.rst b/docs/source/user_guide/index.rst
new file mode 100644
index 000000000..a928dccd8
--- /dev/null
+++ b/docs/source/user_guide/index.rst
@@ -0,0 +1,12 @@
+
+
+##########
+User Guide
+##########
+
+MICM is quite expansive in its capabilities. We've written examples showing many different use cases.
+Hopefully our examples are exhaustive enough to provide you with the tools you need to solve some atmospheric chemistry.
+
+If you happen to find our examples are lacking for your needs, please, 
+`fill out an issue <https://github.com/NCAR/micm/issues/new>`_ and request the kind of example you'd like. 
+
diff --git a/include/micm/version.hpp b/include/micm/version.hpp
index eaf20c49b..6a5992c97 100644
--- a/include/micm/version.hpp
+++ b/include/micm/version.hpp
@@ -8,7 +8,7 @@ extern "C" {
 
   const char* getMicmVersion()
   {
-    return "3.1.0";
+    return "3.2.0";
   }
   unsigned getMicmVersionMajor()
   {
@@ -16,7 +16,7 @@ extern "C" {
   }
   unsigned getMicmVersionMinor()
   {
-    return 1+0;
+    return 2+0;
   }
   unsigned getMicmVersionPatch()
   {

From 188cab2f3d57a4dfb7cc0be3cd590bf022b928b5 Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Mon, 18 Sep 2023 19:24:38 -0600
Subject: [PATCH 002/318] Added an example config.json with camp-files list.

---
 test/unit/unit_configs/camp/config.json | 1 +
 1 file changed, 1 insertion(+)
 create mode 100644 test/unit/unit_configs/camp/config.json

diff --git a/test/unit/unit_configs/camp/config.json b/test/unit/unit_configs/camp/config.json
new file mode 100644
index 000000000..61165b00d
--- /dev/null
+++ b/test/unit/unit_configs/camp/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json"]}

From 231209a96fe398d3f363cd5e86d6d71251ff270b Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Mon, 18 Sep 2023 19:47:29 -0600
Subject: [PATCH 003/318] In test_solver_config, added TEST(SolverConfig,
 ReadAndParseCAMPFiles).

---
 test/unit/configure/test_solver_config.cpp | 9 +++++++++
 1 file changed, 9 insertions(+)

diff --git a/test/unit/configure/test_solver_config.cpp b/test/unit/configure/test_solver_config.cpp
index 4ea2080ac..c5b4d3c8b 100644
--- a/test/unit/configure/test_solver_config.cpp
+++ b/test/unit/configure/test_solver_config.cpp
@@ -9,6 +9,15 @@ TEST(SolverConfig, DetectsInvalidConfigFile)
   EXPECT_EQ(micm::ConfigParseStatus::InvalidSpeciesFilePath, status);
 }
 
+TEST(SolverConfig, ReadAndParseCAMPFiles)
+{
+  micm::SolverConfig solverConfig{};
+
+  // Read and parse the CAMP configure file
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/camp");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+}
+
 TEST(SolverConfig, ReadAndParseSystemObject)
 {
   micm::SolverConfig solverConfig;

From ce81070084782e2b26ca972afccaee71de864e1b Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Mon, 18 Sep 2023 20:22:04 -0600
Subject: [PATCH 004/318] Added CAMP_FILES constant string.

---
 include/micm/configure/solver_config.hpp | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index bb8511f41..e7e138b9e 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -102,6 +102,7 @@ namespace micm
     std::vector<Process> processes_;
 
     // Constants
+    // find names from config.json
     // Configure files
     static const inline std::string SPECIES_CONFIG = "species.json";
     static const inline std::string MECHANISM_CONFIG = "mechanism.json";
@@ -110,6 +111,7 @@ namespace micm
 
     // Common JSON
     static const inline std::string CAMP_DATA = "camp-data";
+    static const inline std::string CAMP_FILES = "camp-files";
     static const inline std::string TYPE = "type";
 
     // Functions
@@ -118,6 +120,8 @@ namespace micm
     /// @return True for successful parsing
     ConfigParseStatus Parse(const std::filesystem::path& config_dir)
     {
+      // Look for CAMP_FILES here
+
       // Create configure paths
       std::filesystem::path species_config(config_dir / SPECIES_CONFIG);
       std::filesystem::path mechanism_config(config_dir / MECHANISM_CONFIG);
@@ -784,4 +788,4 @@ namespace micm
     }
   };
 
-}  // namespace micm
\ No newline at end of file
+}  // namespace micm

From 00550c2ca7d54d332498be2996eed46450d159a2 Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Tue, 19 Sep 2023 07:32:05 -0600
Subject: [PATCH 005/318] Read top level CAMP JSON if config.json file exists.

---
 include/micm/configure/solver_config.hpp | 10 ++++++++--
 1 file changed, 8 insertions(+), 2 deletions(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index e7e138b9e..62a973596 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -104,6 +104,7 @@ namespace micm
     // Constants
     // find names from config.json
     // Configure files
+    static const inline std::string CAMP_CONFIG = "config.json";
     static const inline std::string SPECIES_CONFIG = "species.json";
     static const inline std::string MECHANISM_CONFIG = "mechanism.json";
     static const inline std::string REACTIONS_CONFIG = "reactions.json";
@@ -120,14 +121,19 @@ namespace micm
     /// @return True for successful parsing
     ConfigParseStatus Parse(const std::filesystem::path& config_dir)
     {
-      // Look for CAMP_FILES here
-
       // Create configure paths
       std::filesystem::path species_config(config_dir / SPECIES_CONFIG);
       std::filesystem::path mechanism_config(config_dir / MECHANISM_CONFIG);
       std::filesystem::path reactions_config(config_dir / REACTIONS_CONFIG);
       std::filesystem::path tolerance_config(config_dir / TOLERANCE_CONFIG);
 
+      // Look for CAMP config file
+      std::filesystem::path camp_config(config_dir / CAMP_CONFIG);
+      if (std::filesystem::exists(camp_config))
+      {
+        json camp_config = json::parse(std::ifstream(camp_config));
+      }
+
       // Current reaction configs should be either mechanism_config or reactions config
       std::filesystem::path cur_reactions_config;
 

From 0a61b2631c8178bdb8c8b0cf391a01235c089d94 Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Tue, 19 Sep 2023 07:52:21 -0600
Subject: [PATCH 006/318] Added CAMPFilesSectionNotFound status.

---
 include/micm/configure/solver_config.hpp | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 62a973596..30a95c131 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -34,6 +34,7 @@ namespace micm
     InvalidKey,
     UnknownKey,
     InvalidSpecies,
+    CAMPFilesSectionNotFound,
     CAMPDataSectionNotFound,
     InvalidMechanism,
     ObjectTypeNotFound,
@@ -51,6 +52,7 @@ namespace micm
       case ConfigParseStatus::InvalidKey: return "InvalidKey";
       case ConfigParseStatus::UnknownKey: return "UnknownKey";
       case ConfigParseStatus::InvalidSpecies: return "InvalidSpecies";
+      case ConfigParseStatus::CAMPFilesSectionNotFound: return "CAMPFilesSectionNotFound";
       case ConfigParseStatus::CAMPDataSectionNotFound: return "CAMPDataSectionNotFound";
       case ConfigParseStatus::InvalidMechanism: return "InvalidMechanism";
       case ConfigParseStatus::ObjectTypeNotFound: return "ObjectTypeNotFound";
@@ -131,7 +133,10 @@ namespace micm
       std::filesystem::path camp_config(config_dir / CAMP_CONFIG);
       if (std::filesystem::exists(camp_config))
       {
+        std::cout << "Reading CAMP config " << camp_config << std::endl;
         json camp_config = json::parse(std::ifstream(camp_config));
+        if (!camp_config.contains(CAMP_FILES))
+          return ConfigParseStatus::CAMPFilesSectionNotFound;
       }
 
       // Current reaction configs should be either mechanism_config or reactions config

From 3df9bf79f4c2a9ee4a866dcc0652f50ccea82a62 Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Tue, 19 Sep 2023 09:26:13 -0600
Subject: [PATCH 007/318] Extract vector<string> of CAMP filenames from JSON.

---
 include/micm/configure/solver_config.hpp | 11 +++++++++--
 1 file changed, 9 insertions(+), 2 deletions(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 30a95c131..643acb4a2 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -134,9 +134,16 @@ namespace micm
       if (std::filesystem::exists(camp_config))
       {
         std::cout << "Reading CAMP config " << camp_config << std::endl;
-        json camp_config = json::parse(std::ifstream(camp_config));
-        if (!camp_config.contains(CAMP_FILES))
+        json camp_data = json::parse(std::ifstream(camp_config));
+        if (!camp_data.contains(CAMP_FILES))
           return ConfigParseStatus::CAMPFilesSectionNotFound;
+
+        std::vector<std::string> camp_files;
+        for (const auto& element : camp_data[CAMP_FILES])
+        {
+          std::cout << element.get<std::string>() << std::endl;
+          camp_files.push_back(element.get<std::string>());
+        }
       }
 
       // Current reaction configs should be either mechanism_config or reactions config

From b2e85975443c12cf3bcd331915b7551e39cd359d Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 19 Sep 2023 11:15:55 -0500
Subject: [PATCH 008/318] added rate constant tutorial file

---
 docs/source/user_guide/index.rst                  | 12 ++++++++++++
 docs/source/user_guide/rate_constant_tutorial.rst | 10 ++++++++++
 2 files changed, 22 insertions(+)
 create mode 100644 docs/source/user_guide/rate_constant_tutorial.rst

diff --git a/docs/source/user_guide/index.rst b/docs/source/user_guide/index.rst
index a928dccd8..d65806cc9 100644
--- a/docs/source/user_guide/index.rst
+++ b/docs/source/user_guide/index.rst
@@ -10,3 +10,15 @@ Hopefully our examples are exhaustive enough to provide you with the tools you n
 If you happen to find our examples are lacking for your needs, please, 
 `fill out an issue <https://github.com/NCAR/micm/issues/new>`_ and request the kind of example you'd like. 
 
+
+
+1. :doc:`Rate constants` (except user-defined ones)
+
+2. User defined rate constants
+
+
+.. toctree::
+   :maxdepth: 1
+   :caption: Contents:
+
+   rate_constant_tutorial
\ No newline at end of file
diff --git a/docs/source/user_guide/rate_constant_tutorial.rst b/docs/source/user_guide/rate_constant_tutorial.rst
new file mode 100644
index 000000000..0feff0a39
--- /dev/null
+++ b/docs/source/user_guide/rate_constant_tutorial.rst
@@ -0,0 +1,10 @@
+
+.. _Rate constants:
+
+Rate Constants (except user defined ones)
+#########################################
+
+Some introductory content.
+This is the content you want to include in the excerpt.
+
+More content in the source file.
\ No newline at end of file

From f68810f151815082b990a7f4d7f6f948bb39db6f Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 19 Sep 2023 15:13:58 -0500
Subject: [PATCH 009/318] adding links to generated breathe documentation

---
 docs/CMakeLists.txt                             |  2 +-
 docs/source/user_guide/index.rst                | 10 ++++------
 .../user_guide/rate_constant_tutorial.rst       | 17 +++++++++++++----
 .../user_defined_rate_constant_tutorial.rst     |  4 ++++
 .../test_rate_constants_no_user_defined.cpp     |  0
 5 files changed, 22 insertions(+), 11 deletions(-)
 create mode 100644 docs/source/user_guide/user_defined_rate_constant_tutorial.rst
 create mode 100644 test/tutorial/test_rate_constants_no_user_defined.cpp

diff --git a/docs/CMakeLists.txt b/docs/CMakeLists.txt
index dd0c5b382..0f9be5aa8 100644
--- a/docs/CMakeLists.txt
+++ b/docs/CMakeLists.txt
@@ -51,7 +51,7 @@ add_custom_command(
   MAIN_DEPENDENCY ${SPHINX_SOURCE}/conf.py
   COMMENT "Generating documentation with Sphinx"
   # run this command each time. This way we don't have to keep track of each individual rst file
-  ALWAYS
+  BuildDocs
 )
 
 add_custom_target(docs ALL DEPENDS ${SPHINX_INDEX_FILE})
diff --git a/docs/source/user_guide/index.rst b/docs/source/user_guide/index.rst
index d65806cc9..fad6b2bdc 100644
--- a/docs/source/user_guide/index.rst
+++ b/docs/source/user_guide/index.rst
@@ -1,5 +1,3 @@
-
-
 ##########
 User Guide
 ##########
@@ -12,13 +10,13 @@ If you happen to find our examples are lacking for your needs, please,
 
 
 
-1. :doc:`Rate constants` (except user-defined ones)
-
-2. User defined rate constants
+1. :ref:`Rate constants`
+2. :ref:`User defined rate constants`
 
 
 .. toctree::
    :maxdepth: 1
    :caption: Contents:
 
-   rate_constant_tutorial
\ No newline at end of file
+   rate_constant_tutorial
+   user_defined_rate_constant_tutorial
diff --git a/docs/source/user_guide/rate_constant_tutorial.rst b/docs/source/user_guide/rate_constant_tutorial.rst
index 0feff0a39..a176736c2 100644
--- a/docs/source/user_guide/rate_constant_tutorial.rst
+++ b/docs/source/user_guide/rate_constant_tutorial.rst
@@ -1,10 +1,19 @@
-
 .. _Rate constants:
 
 Rate Constants (except user defined ones)
 #########################################
 
-Some introductory content.
-This is the content you want to include in the excerpt.
+MICM supports a subset of the rate constants defined as part of the 
+`OpenAtmos Mechanism Configuration <https://open-atmos.github.io/MechanismConfiguration/reactions/index.html>`_
+We will be adding more in the future. At present, supported rate constants are:
+
+- :cpp:class:`micm::ArrheniusRateConstant`
+- :cpp:class:`micm::BranchedRateConstant`
+- :cpp:class:`micm::SurfaceRateConstant`
+- :cpp:class:`micm::TernaryChemicalActivationRateConstant`
+- :cpp:class:`micm::TroeRateConstant`
+- :cpp:class:`micm::TunnelingRateConstant`
+- :cpp:class:`micm::UserDefinedRateConstant`
 
-More content in the source file.
\ No newline at end of file
+This tutorial covers all but the last one. See the :ref:`User defined rate constants` tutorial for examples and use
+cases on that.
diff --git a/docs/source/user_guide/user_defined_rate_constant_tutorial.rst b/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
new file mode 100644
index 000000000..088af3302
--- /dev/null
+++ b/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
@@ -0,0 +1,4 @@
+.. _User defined rate constants:
+
+User Defined Rate Constants
+###########################
diff --git a/test/tutorial/test_rate_constants_no_user_defined.cpp b/test/tutorial/test_rate_constants_no_user_defined.cpp
new file mode 100644
index 000000000..e69de29bb

From 3035433e2861dada944cdfc1dd738535d5a92132 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 20 Sep 2023 16:51:23 -0500
Subject: [PATCH 010/318] added most of an example

---
 docs/requirements.txt                         |   4 +-
 docs/source/_static/custom.css                |  30 ++++
 .../source/_static/tutorials/.gitkeep         |   0
 .../rate_constants_no_user_defined.zip        | Bin 0 -> 888 bytes
 .../reactions.json                            |   3 +
 .../species.json                              |   3 +
 docs/source/conf.py                           |   2 +
 docs/source/getting_started.rst               |  56 +-----
 docs/source/index.rst                         |   1 +
 .../user_guide/rate_constant_tutorial.rst     |  97 ++++++++++-
 include/micm/process/process.hpp              |   1 +
 include/micm/solver/rosenbrock.inl            |   4 +-
 test/tutorial/CMakeLists.txt                  |  41 ++++-
 .../rate_constants_no_user_defined.zip        | Bin 0 -> 888 bytes
 .../reactions.json                            |   3 +
 .../species.json                              |   3 +
 ...rate_constants_no_user_defined_by_hand.cpp | 161 ++++++++++++++++++
 ..._constants_no_user_defined_with_config.cpp |  13 ++
 18 files changed, 355 insertions(+), 67 deletions(-)
 rename test/tutorial/test_rate_constants_no_user_defined.cpp => docs/source/_static/tutorials/.gitkeep (100%)
 create mode 100644 docs/source/_static/tutorials/rate_constants_no_user_defined.zip
 create mode 100644 docs/source/_static/tutorials/test/tutorial/configs/rate_constants_no_user_defined/reactions.json
 create mode 100644 docs/source/_static/tutorials/test/tutorial/configs/rate_constants_no_user_defined/species.json
 create mode 100644 test/tutorial/configs/rate_constants_no_user_defined.zip
 create mode 100644 test/tutorial/configs/rate_constants_no_user_defined/reactions.json
 create mode 100644 test/tutorial/configs/rate_constants_no_user_defined/species.json
 create mode 100644 test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
 create mode 100644 test/tutorial/test_rate_constants_no_user_defined_with_config.cpp

diff --git a/docs/requirements.txt b/docs/requirements.txt
index 5c5432a54..46798caed 100644
--- a/docs/requirements.txt
+++ b/docs/requirements.txt
@@ -1,4 +1,6 @@
+breathe
 sphinx
 sphinx-book-theme
+sphinx-copybutton
 sphinx-design
-breathe
+sphinx-tabs
\ No newline at end of file
diff --git a/docs/source/_static/custom.css b/docs/source/_static/custom.css
index 9c69a3a3a..655ca3fb4 100644
--- a/docs/source/_static/custom.css
+++ b/docs/source/_static/custom.css
@@ -4,4 +4,34 @@
   margin-left: auto;
   margin-right: auto;
   margin-top: 10px;
+}
+
+.download-div {
+  display: flex;
+  flex-direction: row;
+  justify-content: space-around;
+  margin-bottom: 1rem;
+}
+
+.download-button {
+  display: inline-block;
+  padding: 10px 20px;
+  background-color: #3498db;
+  color: white;
+  border: none;
+  border-radius: 5px;
+  text-align: center;
+  text-decoration: none;
+  font-size: 16px;
+  cursor: pointer;
+  transition: background-color 0.3s;
+}
+
+.download-button:hover {
+  background-color: #2980b9;
+}
+
+blockquote {
+  padding: unset;
+  border-left: unset;
 }
\ No newline at end of file
diff --git a/test/tutorial/test_rate_constants_no_user_defined.cpp b/docs/source/_static/tutorials/.gitkeep
similarity index 100%
rename from test/tutorial/test_rate_constants_no_user_defined.cpp
rename to docs/source/_static/tutorials/.gitkeep
diff --git a/docs/source/_static/tutorials/rate_constants_no_user_defined.zip b/docs/source/_static/tutorials/rate_constants_no_user_defined.zip
new file mode 100644
index 0000000000000000000000000000000000000000..5e13a502774b94a2f6da40b55b1b1f4db67a6055
GIT binary patch
literal 888
zcmWIWW@Zs#0D+Tr#^GQFl(1k>V9?XkFG(#f(Jv`2$uG)G%+XKI&r8cpFV-(gEJ=+A
za*9h5^Gb^2^YY_Mi&Kl@Q&Q71^HNjvLqm8O*sHj>QtN;iM3+`@GcdCBPi0^L+ZF(}
zm4ktUp}P@bD>u+)7Yb}GE=WzzOfA;SD$dUXyI>n1SL${k2GM9PSRM8tD8R!@$M4}P
zR)zp?c8+i7V<UNi4gfg<;k-^X=ebefyrR^^<dRHam?0dv3Ft5w#_B*FKhMWd2Yx!V
zm>c0hMkWzv-0=pDLWZ}FAQtUn5#kD1JR%1nC>~*8Nn;rWt{^2=1H2I~0!1Bin1P}W
g29`96GLj!Iq(x+aH!B;+US=R%1GIG;5Hm0U0E;;4n*aa+

literal 0
HcmV?d00001

diff --git a/docs/source/_static/tutorials/test/tutorial/configs/rate_constants_no_user_defined/reactions.json b/docs/source/_static/tutorials/test/tutorial/configs/rate_constants_no_user_defined/reactions.json
new file mode 100644
index 000000000..772d7048c
--- /dev/null
+++ b/docs/source/_static/tutorials/test/tutorial/configs/rate_constants_no_user_defined/reactions.json
@@ -0,0 +1,3 @@
+{ 
+  asdf
+}
\ No newline at end of file
diff --git a/docs/source/_static/tutorials/test/tutorial/configs/rate_constants_no_user_defined/species.json b/docs/source/_static/tutorials/test/tutorial/configs/rate_constants_no_user_defined/species.json
new file mode 100644
index 000000000..21bdae398
--- /dev/null
+++ b/docs/source/_static/tutorials/test/tutorial/configs/rate_constants_no_user_defined/species.json
@@ -0,0 +1,3 @@
+{ 
+  basd
+}
\ No newline at end of file
diff --git a/docs/source/conf.py b/docs/source/conf.py
index 303cb8a56..8de8f8d9d 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -32,7 +32,9 @@
 # ones.
 extensions = [
   'breathe',
+  'sphinx_copybutton',
   'sphinx_design',
+  'sphinx_tabs.tabs',
 ]
 
 breathe_default_project = "micm"
diff --git a/docs/source/getting_started.rst b/docs/source/getting_started.rst
index 5e72efa61..695731edd 100644
--- a/docs/source/getting_started.rst
+++ b/docs/source/getting_started.rst
@@ -78,60 +78,8 @@ See the [MICM documentation](https://ncar.github.io/micm/)
 for details on the types of reactions available in MICM and how to configure them.
 To solve this system save the following code in a file named `foo_chem.cpp`
 
-.. code-block:: C++
-
-  #include <iomanip>
-  #include <iostream>
-  #include <micm/process/arrhenius_rate_constant.hpp>
-  #include <micm/solver/rosenbrock.hpp>
-
-  using namespace micm;
-
-  int main(const int argc, const char *argv[])
-  {
-    auto foo = Species{ "Foo" };
-    auto bar = Species{ "Bar" };
-    auto baz = Species{ "Baz" };
-
-    Phase gas_phase{ std::vector<Species>{ foo, bar, baz } };
-
-    System chemical_system{ SystemParameters{ .gas_phase_ = gas_phase } };
-
-    Process r1 = Process::create()
-                     .reactants({ foo })
-                     .products({ Yield(bar, 0.8), Yield(baz, 0.2) })
-                     .rate_constant(ArrheniusRateConstant({ .A_ = 1.0e-3 }))
-                     .phase(gas_phase);
-
-    Process r2 = Process::create()
-                     .reactants({ foo, bar })
-                     .products({ Yield(baz, 1) })
-                     .rate_constant(ArrheniusRateConstant({ .A_ = 1.0e-5, .C_ = 110.0 }))
-                     .phase(gas_phase);
-
-    std::vector<Process> reactions{ r1, r2 };
-
-    RosenbrockSolver solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
-
-    State state = solver.GetState();
-
-    state.conditions_[0].temperature_ = 287.45;  // K
-    state.conditions_[0].pressure_ = 101319.9;   // Pa
-    state.SetConcentration(foo, 20.0);           // mol m-3
-
-    std::cout << "foo,       bar,      baz" << std::endl;
-    for (int i = 0; i < 10; ++i)
-    {
-      auto result = solver.Solve(500.0, state);
-      state.variables_ = result.result_;
-      std::cout << std::fixed << std::setprecision(6)
-                << state.variables_[0][state.variable_map_["Foo"]] << ", "
-                << state.variables_[0][state.variable_map_["Bar"]] << ", "
-                << state.variables_[0][state.variable_map_["Baz"]] << std::endl;
-    }
-
-    return 0;
-  }
+.. literalinclude:: ../../test/tutorial/test_README_example.cpp
+  :language: cpp
 
 To build and run the example using GNU::
 
diff --git a/docs/source/index.rst b/docs/source/index.rst
index 7c06c60f7..8b7c691f9 100644
--- a/docs/source/index.rst
+++ b/docs/source/index.rst
@@ -7,6 +7,7 @@
 .. ~ for subsubsubsections
 .. " for paragraphs
 
+================================
 Welcome to MICM's documentation!
 ================================
 
diff --git a/docs/source/user_guide/rate_constant_tutorial.rst b/docs/source/user_guide/rate_constant_tutorial.rst
index a176736c2..1bbe22a41 100644
--- a/docs/source/user_guide/rate_constant_tutorial.rst
+++ b/docs/source/user_guide/rate_constant_tutorial.rst
@@ -1,19 +1,98 @@
 .. _Rate constants:
 
 Rate Constants (except user defined ones)
-#########################################
+=========================================
 
 MICM supports a subset of the rate constants defined as part of the 
 `OpenAtmos Mechanism Configuration <https://open-atmos.github.io/MechanismConfiguration/reactions/index.html>`_
-We will be adding more in the future. At present, supported rate constants are:
+We will be adding more in the future. 
+The links to the ``micm`` classes below detail the class and methods. Please check the OpenAtmos standard for
+specific on the algorithm implemented for each rate constant type.
+At present, supported rate constants are:
 
-- :cpp:class:`micm::ArrheniusRateConstant`
-- :cpp:class:`micm::BranchedRateConstant`
-- :cpp:class:`micm::SurfaceRateConstant`
-- :cpp:class:`micm::TernaryChemicalActivationRateConstant`
-- :cpp:class:`micm::TroeRateConstant`
-- :cpp:class:`micm::TunnelingRateConstant`
-- :cpp:class:`micm::UserDefinedRateConstant`
+- :cpp:class:`micm::ArrheniusRateConstant`, `OpenAtmos Arrhenius description <https://open-atmos.github.io/MechanismConfiguration/reactions/arrhenius.html>`_
+- :cpp:class:`micm::BranchedRateConstant`, `OpenAtmos Branched description <https://open-atmos.github.io/MechanismConfiguration/reactions/branched.html>`_
+- :cpp:class:`micm::SurfaceRateConstant`, `OpenAtmos Surface description <https://open-atmos.github.io/MechanismConfiguration/reactions/surface.html>`_
+- :cpp:class:`micm::TernaryChemicalActivationRateConstant`, `OpenAtmos Ternay chemical activiation description <https://open-atmos.github.io/MechanismConfiguration/reactions/ternary_chemical_activation.html>`_
+- :cpp:class:`micm::TroeRateConstant`, `OpenAtmos Troe description <https://open-atmos.github.io/MechanismConfiguration/reactions/troe.html>`_
+- :cpp:class:`micm::TunnelingRateConstant`, `OpenAtmos Tunneling description <https://open-atmos.github.io/MechanismConfiguration/reactions/tunneling.html>`_
+- :cpp:class:`micm::UserDefinedRateConstant`, this is a custom type, but this is how photolysis rates are setup `OpenAtmos Photolysis description <https://open-atmos.github.io/MechanismConfiguration/reactions/photolysis.html>`_
 
 This tutorial covers all but the last one. See the :ref:`User defined rate constants` tutorial for examples and use
 cases on that.
+
+We'll setup and solve a fake chemical system with 4 species and 6 reactions, 
+
+.. math::
+
+  A &\longrightarrow B, &k_{1, \mathrm{arrhenius}} \\
+  B &\longrightarrow C (\mathrm{alkoxy\ products}) + D (\mathrm{nitrate\ products}), &k_{2, \mathrm{branched}} \\
+  2C &\longrightarrow A, &k_{3, \mathrm{surface}} \\
+  D &\longrightarrow 2B, &k_{4, \mathrm{ternary\ chemical\ activation}} \\
+  A &\longrightarrow C, &k_{5, \mathrm{troe}} \\
+  B &\longrightarrow D, &k_{6, \mathrm{tunneling}} \\
+
+
+MICM can be configured in two ways. We can either build the mechanism up by hand with the ``micm`` API,
+or parse a valid mechanism Configuration
+in the OpenAtmos format. In this tutorial, we will do both. If you're looking for a copy and paste, choose
+the appropriate tab below and be on your way! Otherwise, stick around for a line by line explanation.
+
+
+.. tabs::
+
+    .. tab:: Build the Mechanism with the API
+
+        .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
+          :language: cpp
+
+    .. tab:: OpenAtmos Configuration reading
+
+        .. raw:: html
+
+            <div class="download-div">
+              <a href="../_static/tutorials/rate_constants_no_user_defined.zip" download>
+                <button class="download-button">Download zip configuration</button>
+              </a>
+            </div>
+
+        .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
+          :language: cpp
+
+Line-by-line explanation
+------------------------
+
+To get started, we'll need to include each rate constant type and the 
+rosenbrock solver at the top of the file.
+
+  .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
+    :language: cpp
+    :lines: 1-11
+
+After that, we'll use the ``micm`` namespace and setup a template alias so that we can instantiate the 
+rosenbrock solver.
+
+  .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
+    :language: cpp
+    :lines: 13-20
+
+Next we have to define the chemical system we want to solve. 
+
+.. tabs::
+
+    .. tab:: Build the Mechanism with the API
+
+        To do this by hand, we have to define all of the chemical species in the system. This allows us to set
+        any properties of the species that may be necessary for rate constanta calculations, like molecular weights 
+        and diffusion coefficients for the surface reaction. 
+
+        .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
+          :language: cpp
+          :lines: 25-31
+
+        Products are created with a :cpp:type:`micm::Yield` :cpp:func:`micm::yields`
+
+    .. tab:: OpenAtmos Configuration reading
+
+        .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
+          :language: cpp
\ No newline at end of file
diff --git a/include/micm/process/process.hpp b/include/micm/process/process.hpp
index 5319d3ee7..f9c7a674e 100644
--- a/include/micm/process/process.hpp
+++ b/include/micm/process/process.hpp
@@ -15,6 +15,7 @@
 namespace micm
 {
 
+  /// @brief An alias that allows making products easily
   using Yield = std::pair<micm::Species, double>;
 
   Yield yields(micm::Species species, double yield)
diff --git a/include/micm/solver/rosenbrock.inl b/include/micm/solver/rosenbrock.inl
index 863ad9e8a..d8f89323f 100644
--- a/include/micm/solver/rosenbrock.inl
+++ b/include/micm/solver/rosenbrock.inl
@@ -642,7 +642,7 @@ namespace micm
 
     result.final_time_ = present_time;
     result.stats_ = stats_;
-    result.result_ = std::move(Y);
+    result.result_ = Y;
     return result;
   }
 
@@ -762,4 +762,4 @@ namespace micm
     return std::max(std::sqrt(error / N_), error_min_);
   }
 
-}  // namespace micm
\ No newline at end of file
+}  // namespace micm
diff --git a/test/tutorial/CMakeLists.txt b/test/tutorial/CMakeLists.txt
index 23fc4088d..d1f4cfdaf 100644
--- a/test/tutorial/CMakeLists.txt
+++ b/test/tutorial/CMakeLists.txt
@@ -6,4 +6,43 @@ include(test_util)
 ################################################################################
 # Tests
 
-create_standard_test(NAME README_example SOURCES test_README_example.cpp)
\ No newline at end of file
+create_standard_test(NAME README_example SOURCES test_README_example.cpp)
+create_standard_test(NAME rate_constants_no_user_defined_example_by_hand SOURCES test_rate_constants_no_user_defined_by_hand.cpp)
+create_standard_test(NAME rate_constants_no_user_defined_example_with_config SOURCES test_rate_constants_no_user_defined_with_config.cpp)
+
+################################################################################
+# Copy test data
+
+add_custom_target(copy_tutorial_configs ALL ${CMAKE_COMMAND} -E copy_directory
+  ${CMAKE_CURRENT_SOURCE_DIR}/configs ${CMAKE_BINARY_DIR}/configs)
+
+################################################################################
+# Create zip folders of the configurations so that they can be 
+# placed in the docs _static folder for downloads
+
+file(GLOB subdirectories LIST_DIRECTORIES true "${CMAKE_CURRENT_SOURCE_DIR}/configs/*")
+
+# Loop through the list of directories
+foreach(subdirectory ${subdirectories})
+    # Check if the current item is a directory
+    if(IS_DIRECTORY ${subdirectory})
+        # Extract the directory name from the path
+        get_filename_component(directory_name ${subdirectory} NAME)
+
+        # set the output file name
+        # set(output_archive "${CMAKE_SOURCE_DIR}/docs/source/_static/tutorials/${directory_name}.zip")
+        set(output_archive "${CMAKE_CURRENT_SOURCE_DIR}/configs/${directory_name}.zip")
+
+        message(STATUS "subdirectory: ${subdirectory}")
+
+        # create the archive
+        file(ARCHIVE_CREATE
+          OUTPUT "${output_archive}"
+          PATHS 
+              "${subdirectory}"
+          FORMAT "zip"
+        )
+
+        message(STATUS "Created archive: ${output_archive}")
+    endif()
+endforeach()
\ No newline at end of file
diff --git a/test/tutorial/configs/rate_constants_no_user_defined.zip b/test/tutorial/configs/rate_constants_no_user_defined.zip
new file mode 100644
index 0000000000000000000000000000000000000000..5e13a502774b94a2f6da40b55b1b1f4db67a6055
GIT binary patch
literal 888
zcmWIWW@Zs#0D+Tr#^GQFl(1k>V9?XkFG(#f(Jv`2$uG)G%+XKI&r8cpFV-(gEJ=+A
za*9h5^Gb^2^YY_Mi&Kl@Q&Q71^HNjvLqm8O*sHj>QtN;iM3+`@GcdCBPi0^L+ZF(}
zm4ktUp}P@bD>u+)7Yb}GE=WzzOfA;SD$dUXyI>n1SL${k2GM9PSRM8tD8R!@$M4}P
zR)zp?c8+i7V<UNi4gfg<;k-^X=ebefyrR^^<dRHam?0dv3Ft5w#_B*FKhMWd2Yx!V
zm>c0hMkWzv-0=pDLWZ}FAQtUn5#kD1JR%1nC>~*8Nn;rWt{^2=1H2I~0!1Bin1P}W
g29`96GLj!Iq(x+aH!B;+US=R%1GIG;5Hm0U0E;;4n*aa+

literal 0
HcmV?d00001

diff --git a/test/tutorial/configs/rate_constants_no_user_defined/reactions.json b/test/tutorial/configs/rate_constants_no_user_defined/reactions.json
new file mode 100644
index 000000000..772d7048c
--- /dev/null
+++ b/test/tutorial/configs/rate_constants_no_user_defined/reactions.json
@@ -0,0 +1,3 @@
+{ 
+  asdf
+}
\ No newline at end of file
diff --git a/test/tutorial/configs/rate_constants_no_user_defined/species.json b/test/tutorial/configs/rate_constants_no_user_defined/species.json
new file mode 100644
index 000000000..21bdae398
--- /dev/null
+++ b/test/tutorial/configs/rate_constants_no_user_defined/species.json
@@ -0,0 +1,3 @@
+{ 
+  basd
+}
\ No newline at end of file
diff --git a/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp b/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
new file mode 100644
index 000000000..b8fa00955
--- /dev/null
+++ b/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
@@ -0,0 +1,161 @@
+#include <iomanip>
+#include <iostream>
+#include <map>
+
+// Each rate constant is in its own header file
+#include <micm/process/arrhenius_rate_constant.hpp>
+#include <micm/process/branched_rate_constant.hpp>
+#include <micm/process/surface_rate_constant.hpp>
+#include <micm/process/ternary_chemical_activation_rate_constant.hpp>
+#include <micm/process/troe_rate_constant.hpp>
+#include <micm/process/tunneling_rate_constant.hpp>
+#include <micm/solver/rosenbrock.hpp>
+
+// Use our namespace so that this example is easier to read
+using namespace micm;
+
+// The Rosenbrock solver can use many matrix ordering types
+// Here, we use the default ordering, but we still need to provide a templated
+// Arguent to the solver so it can use the proper ordering with any data type
+template<class T>
+using SparseMatrixPolicy = SparseMatrix<T>;
+
+
+void print_header(){
+  std::cout 
+      << std::setw(8) << "time" << ", "
+      << std::setw(22) << "A" << ", "
+      << std::setw(22) << "B" << ", "
+      << std::setw(22) << "C" << ", "
+      << std::setw(22) << "D" 
+      << std::endl;
+}
+
+template<template<class> class T>
+void print_state(double time, State<T>& state) {
+  std::cout 
+          << std::defaultfloat
+          << std::setw(8) << time << ", "
+          << std::setw(20) << std::setprecision(16) 
+          << std::setw(20) << std::scientific 
+          << std::setw(20) << state.variables_[0][state.variable_map_["A"]] << ", "
+          << std::setw(20) << state.variables_[0][state.variable_map_["B"]] << ", " 
+          << std::setw(20) << state.variables_[0][state.variable_map_["C"]] << ", " 
+          << std::setw(20) << state.variables_[0][state.variable_map_["D"]] 
+          << std::endl;
+}
+
+int main(const int argc, const char *argv[])
+{
+  auto a = Species("A");
+  auto b = Species("B");
+  auto c = Species(
+      "C",
+      std::map<std::string, double>{ { "molecular weight [kg mol-1]", 0.025 },
+                                     { "diffusion coefficient [m2 s-1]", 2.3e2 } });
+  auto d = Species("D");
+
+  Phase gas_phase{ std::vector<Species>{ a, b, c, d } };
+
+  Process r1 = Process::create()
+                   .reactants({ a })
+                   .products({ yields(b, 1) })
+                   .rate_constant(ArrheniusRateConstant({ .A_ = 2.15e-11, .B_ = 0, .C_ = 110 }))
+                   .phase(gas_phase);
+
+  // a branched reaction has two output pathways
+  // this is represnted internal to micm as two different reactions
+  auto branched_params = BranchedRateConstantParameters{ .X_ = 1.2, .Y_ = 204.3, .a0_ = 1.0e-3, .n_ = 2 };
+  branched_params.branch_ = BranchedRateConstantParameters::Branch::Alkoxy;
+
+  Process r2 = Process::create()
+                   .reactants({ b })
+                   .products({ yields(c, 1) })
+                   .rate_constant(BranchedRateConstant(branched_params))
+                   .phase(gas_phase);
+
+  branched_params.branch_ = BranchedRateConstantParameters::Branch::Nitrate;
+  Process r3 = Process::create()
+                   .reactants({ b })
+                   .products({ yields(d, 1) })
+                   .rate_constant(BranchedRateConstant(branched_params))
+                   .phase(gas_phase);
+
+  // to have a stoichiemetric coefficient of more than one for reactants,
+  // list the reactant that many times
+  // A surface rate constant also needs to know the effective radius and particle number concentration
+  // we will set those later
+  Process r4 = Process::create()
+                   .reactants({ c, c })
+                   .products({ yields(a, 1) })
+                   .rate_constant(SurfaceRateConstant({ .label_ = "c", .species_ = c, .reaction_probability_ = 0.74 }))
+                   .phase(gas_phase);
+
+  Process r5 = Process::create()
+                   .reactants({ d })
+                   .products({ yields(b, 2) })
+                   .rate_constant(TernaryChemicalActivationRateConstant({ .k0_A_ = 1.2,
+                                                                          .k0_B_ = 2.3,
+                                                                          .k0_C_ = 302.3,
+                                                                          .kinf_A_ = 2.6,
+                                                                          .kinf_B_ = -3.1,
+                                                                          .kinf_C_ = 402.1,
+                                                                          .Fc_ = 0.9,
+                                                                          .N_ = 1.2 }))
+                   .phase(gas_phase);
+
+  Process r6 = Process::create()
+                   .reactants({ d })
+                   .products({ yields(b, 2) })
+                   .rate_constant(TunnelingRateConstant({ .A_ = 1.2, .B_ = 2.3, .C_ = 302.3 }))
+                   .phase(gas_phase);
+
+  auto chemical_system = System(micm::SystemParameters{ .gas_phase_ = gas_phase });
+  auto reactions = std::vector<micm::Process>{ r1, r2, r3, r4, r5, r6 };
+
+  RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{ chemical_system,
+                                                       reactions,
+                                                       RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+  State state = solver.GetState();
+
+  std::cout << r4.rate_constant_->CustomParameters()[0] << std::endl;
+
+  state.conditions_[0].temperature_ = 287.45;  // K
+  state.conditions_[0].pressure_ = 101319.9;   // Pa
+
+  state.SetConcentration(a, 1.0);  // mol m-3
+  state.SetConcentration(b, 0.0);  // mol m-3
+  state.SetConcentration(c, 0.0);  // mol m-3
+  state.SetConcentration(d, 0.0);  // mol m-3
+
+  state.SetCustomRateParameter("c.effective radius [m]", 1e-7);
+  state.SetCustomRateParameter("c.particle number concentration [# m-3]", 2.5e6);
+
+  // choose a timestep a print the initial state
+  double time_step = 500;
+
+  print_header();
+  print_state(0, state);
+
+  // solve for ten iterations
+  for (int i = 0; i < 10; ++i)
+  {
+    // Depending on how stiff the system is
+    // the solver integration step may not be able to solve for the full time step
+    // so we need to track how much time the solver was able to integrate for and continue
+    // solving until we finish
+    double elapsed_solve_time = 0;
+
+    while (elapsed_solve_time < time_step)
+    {
+      auto result = solver.Solve(time_step - elapsed_solve_time, state);
+      elapsed_solve_time = result.final_time_;
+      // std::cout << "solver state: " << StateToString(result.state_) << std::endl;
+      state.variables_[0] = result.result_.AsVector();
+    }
+
+    print_state(time_step*(i+1), state);
+  }
+
+  return 0;
+}
diff --git a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
new file mode 100644
index 000000000..08e07215a
--- /dev/null
+++ b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
@@ -0,0 +1,13 @@
+#include <iomanip>
+#include <iostream>
+#include <micm/process/arrhenius_rate_constant.hpp>
+#include <micm/solver/rosenbrock.hpp>
+
+using namespace micm;
+
+template<class T>
+using SparseMatrixPolicy = SparseMatrix<T>;
+
+int main(const int argc, const char *argv[])
+{
+}
\ No newline at end of file

From b052bab49179ababad08cc8b10a2ae668204ab73 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Thu, 21 Sep 2023 09:42:21 -0500
Subject: [PATCH 011/318] changing the reactions

---
 .../user_guide/rate_constant_tutorial.rst     | 10 +--
 ...rate_constants_no_user_defined_by_hand.cpp | 84 ++++++++++++-------
 2 files changed, 57 insertions(+), 37 deletions(-)

diff --git a/docs/source/user_guide/rate_constant_tutorial.rst b/docs/source/user_guide/rate_constant_tutorial.rst
index 1bbe22a41..3204f00e2 100644
--- a/docs/source/user_guide/rate_constant_tutorial.rst
+++ b/docs/source/user_guide/rate_constant_tutorial.rst
@@ -21,16 +21,16 @@ At present, supported rate constants are:
 This tutorial covers all but the last one. See the :ref:`User defined rate constants` tutorial for examples and use
 cases on that.
 
-We'll setup and solve a fake chemical system with 4 species and 6 reactions, 
+We'll setup and solve a fake chemical system with 7 species and 6 reactions, 
 
 .. math::
 
   A &\longrightarrow B, &k_{1, \mathrm{arrhenius}} \\
   B &\longrightarrow C (\mathrm{alkoxy\ products}) + D (\mathrm{nitrate\ products}), &k_{2, \mathrm{branched}} \\
-  2C &\longrightarrow A, &k_{3, \mathrm{surface}} \\
-  D &\longrightarrow 2B, &k_{4, \mathrm{ternary\ chemical\ activation}} \\
-  A &\longrightarrow C, &k_{5, \mathrm{troe}} \\
-  B &\longrightarrow D, &k_{6, \mathrm{tunneling}} \\
+  2C &\longrightarrow E, &k_{3, \mathrm{surface}} \\
+  D &\longrightarrow 2F, &k_{4, \mathrm{ternary\ chemical\ activation}} \\
+  E &\longrightarrow G, &k_{5, \mathrm{troe}} \\
+  F &\longrightarrow G, &k_{6, \mathrm{tunneling}} \\
 
 
 MICM can be configured in two ways. We can either build the mechanism up by hand with the ``micm`` API,
diff --git a/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp b/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
index b8fa00955..bbd8074d9 100644
--- a/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
+++ b/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
@@ -20,32 +20,35 @@ using namespace micm;
 template<class T>
 using SparseMatrixPolicy = SparseMatrix<T>;
 
-
-void print_header(){
-  std::cout 
-      << std::setw(8) << "time" << ", "
-      << std::setw(22) << "A" << ", "
-      << std::setw(22) << "B" << ", "
-      << std::setw(22) << "C" << ", "
-      << std::setw(22) << "D" 
-      << std::endl;
+void print_header()
+{
+  std::cout << std::setw(4) << "time"
+            << ", " << std::setw(18) << "A"
+            << ", " << std::setw(18) << "B"
+            << ", " << std::setw(18) << "C"
+            << ", " << std::setw(18) << "D" 
+            << ", " << std::setw(18) << "E" 
+            << ", " << std::setw(18) << "F" 
+            << ", " << std::setw(18) << "G" 
+            << std::endl;
 }
 
 template<template<class> class T>
-void print_state(double time, State<T>& state) {
-  std::cout 
-          << std::defaultfloat
-          << std::setw(8) << time << ", "
-          << std::setw(20) << std::setprecision(16) 
-          << std::setw(20) << std::scientific 
-          << std::setw(20) << state.variables_[0][state.variable_map_["A"]] << ", "
-          << std::setw(20) << state.variables_[0][state.variable_map_["B"]] << ", " 
-          << std::setw(20) << state.variables_[0][state.variable_map_["C"]] << ", " 
-          << std::setw(20) << state.variables_[0][state.variable_map_["D"]] 
-          << std::endl;
+void print_state(double time, State<T>& state)
+{
+  std::cout << std::defaultfloat << std::setw(4) << time << ", "
+            << std::scientific << std::setprecision(10)
+            << std::setw(18) << state.variables_[0][state.variable_map_["A"]] << ", " 
+            << std::setw(18) << state.variables_[0][state.variable_map_["B"]] << ", " 
+            << std::setw(18) << state.variables_[0][state.variable_map_["C"]] << ", " 
+            << std::setw(18) << state.variables_[0][state.variable_map_["D"]] << ", " 
+            << std::setw(18) << state.variables_[0][state.variable_map_["E"]] << ", " 
+            << std::setw(18) << state.variables_[0][state.variable_map_["F"]] << ", " 
+            << std::setw(18) << state.variables_[0][state.variable_map_["G"]] 
+            << std::endl;
 }
 
-int main(const int argc, const char *argv[])
+int main(const int argc, const char* argv[])
 {
   auto a = Species("A");
   auto b = Species("B");
@@ -54,13 +57,16 @@ int main(const int argc, const char *argv[])
       std::map<std::string, double>{ { "molecular weight [kg mol-1]", 0.025 },
                                      { "diffusion coefficient [m2 s-1]", 2.3e2 } });
   auto d = Species("D");
+  auto e = Species("E");
+  auto f = Species("F");
+  auto g = Species("G");
 
-  Phase gas_phase{ std::vector<Species>{ a, b, c, d } };
+  Phase gas_phase{ std::vector<Species>{ a, b, c, d, e, f, g } };
 
   Process r1 = Process::create()
                    .reactants({ a })
                    .products({ yields(b, 1) })
-                   .rate_constant(ArrheniusRateConstant({ .A_ = 2.15e-11, .B_ = 0, .C_ = 110 }))
+                   .rate_constant(ArrheniusRateConstant({ .A_ = 2.15e-1, .B_ = 0, .C_ = 110 }))
                    .phase(gas_phase);
 
   // a branched reaction has two output pathways
@@ -87,13 +93,13 @@ int main(const int argc, const char *argv[])
   // we will set those later
   Process r4 = Process::create()
                    .reactants({ c, c })
-                   .products({ yields(a, 1) })
+                   .products({ yields(e, 1) })
                    .rate_constant(SurfaceRateConstant({ .label_ = "c", .species_ = c, .reaction_probability_ = 0.74 }))
                    .phase(gas_phase);
 
   Process r5 = Process::create()
                    .reactants({ d })
-                   .products({ yields(b, 2) })
+                   .products({ yields(f, 2) })
                    .rate_constant(TernaryChemicalActivationRateConstant({ .k0_A_ = 1.2,
                                                                           .k0_B_ = 2.3,
                                                                           .k0_C_ = 302.3,
@@ -105,21 +111,32 @@ int main(const int argc, const char *argv[])
                    .phase(gas_phase);
 
   Process r6 = Process::create()
-                   .reactants({ d })
-                   .products({ yields(b, 2) })
+                   .reactants({ e })
+                   .products({ yields(g, 1) })
+                   .rate_constant(TroeRateConstant({ .k0_A_ = 1.2e-12,
+                                                     .k0_B_ = 167.0,
+                                                     .k0_C_ = 3.0,
+                                                     .kinf_A_ = 136.0,
+                                                     .kinf_B_ = 5.0,
+                                                     .kinf_C_ = 24.0,
+                                                     .Fc_ = 0.9,
+                                                     .N_ = 0.8 }))
+                   .phase(gas_phase);
+
+  Process r7 = Process::create()
+                   .reactants({ f })
+                   .products({ yields(g, 1) })
                    .rate_constant(TunnelingRateConstant({ .A_ = 1.2, .B_ = 2.3, .C_ = 302.3 }))
                    .phase(gas_phase);
 
   auto chemical_system = System(micm::SystemParameters{ .gas_phase_ = gas_phase });
-  auto reactions = std::vector<micm::Process>{ r1, r2, r3, r4, r5, r6 };
+  auto reactions = std::vector<micm::Process>{ r1, r2, r3, r4, r5, r6, r7 };
 
   RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{ chemical_system,
                                                        reactions,
                                                        RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
   State state = solver.GetState();
 
-  std::cout << r4.rate_constant_->CustomParameters()[0] << std::endl;
-
   state.conditions_[0].temperature_ = 287.45;  // K
   state.conditions_[0].pressure_ = 101319.9;   // Pa
 
@@ -127,12 +144,15 @@ int main(const int argc, const char *argv[])
   state.SetConcentration(b, 0.0);  // mol m-3
   state.SetConcentration(c, 0.0);  // mol m-3
   state.SetConcentration(d, 0.0);  // mol m-3
+  state.SetConcentration(e, 0.0);  // mol m-3
+  state.SetConcentration(f, 0.0);  // mol m-3
+  state.SetConcentration(g, 0.0);  // mol m-3
 
   state.SetCustomRateParameter("c.effective radius [m]", 1e-7);
   state.SetCustomRateParameter("c.particle number concentration [# m-3]", 2.5e6);
 
   // choose a timestep a print the initial state
-  double time_step = 500;
+  double time_step = 500; // s
 
   print_header();
   print_state(0, state);
@@ -154,7 +174,7 @@ int main(const int argc, const char *argv[])
       state.variables_[0] = result.result_.AsVector();
     }
 
-    print_state(time_step*(i+1), state);
+    print_state(time_step * (i + 1), state);
   }
 
   return 0;

From 9709cc5f1eab62074ea094ff246517ece91ca150 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Thu, 21 Sep 2023 15:55:08 -0500
Subject: [PATCH 012/318] wrote the rate constant tutorial

---
 docs/CMakeLists.txt                           |   2 +-
 .../user_guide/rate_constant_tutorial.rst     |  87 +++++++++++--
 .../micm/process/surface_rate_constant.hpp    |   5 +-
 ...nary_chemical_activation_rate_constant.hpp |   3 +-
 include/micm/solver/rosenbrock.hpp            |  21 +++-
 .../rate_constants_no_user_defined.zip        | Bin 888 -> 888 bytes
 .../reactions.json                            | 100 ++++++++++++++-
 .../species.json                              |  35 +++++-
 ...rate_constants_no_user_defined_by_hand.cpp |  61 ++++-----
 ..._constants_no_user_defined_with_config.cpp | 118 +++++++++++++++++-
 10 files changed, 383 insertions(+), 49 deletions(-)

diff --git a/docs/CMakeLists.txt b/docs/CMakeLists.txt
index 0f9be5aa8..c48767b73 100644
--- a/docs/CMakeLists.txt
+++ b/docs/CMakeLists.txt
@@ -54,4 +54,4 @@ add_custom_command(
   BuildDocs
 )
 
-add_custom_target(docs ALL DEPENDS ${SPHINX_INDEX_FILE})
+add_custom_target(docs ALL DEPENDS ${SPHINX_INDEX_FILE} Doxygen)
diff --git a/docs/source/user_guide/rate_constant_tutorial.rst b/docs/source/user_guide/rate_constant_tutorial.rst
index 3204f00e2..7bbbb9eda 100644
--- a/docs/source/user_guide/rate_constant_tutorial.rst
+++ b/docs/source/user_guide/rate_constant_tutorial.rst
@@ -27,9 +27,9 @@ We'll setup and solve a fake chemical system with 7 species and 6 reactions,
 
   A &\longrightarrow B, &k_{1, \mathrm{arrhenius}} \\
   B &\longrightarrow C (\mathrm{alkoxy\ products}) + D (\mathrm{nitrate\ products}), &k_{2, \mathrm{branched}} \\
-  2C &\longrightarrow E, &k_{3, \mathrm{surface}} \\
+  C &\longrightarrow E, &k_{3, \mathrm{surface}} \\
   D &\longrightarrow 2F, &k_{4, \mathrm{ternary\ chemical\ activation}} \\
-  E &\longrightarrow G, &k_{5, \mathrm{troe}} \\
+  2E &\longrightarrow G, &k_{5, \mathrm{troe}} \\
   F &\longrightarrow G, &k_{6, \mathrm{tunneling}} \\
 
 
@@ -67,16 +67,17 @@ rosenbrock solver at the top of the file.
 
   .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
     :language: cpp
-    :lines: 1-11
+    :lines: 1-13
 
 After that, we'll use the ``micm`` namespace and setup a template alias so that we can instantiate the 
 rosenbrock solver.
 
   .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
     :language: cpp
-    :lines: 13-20
+    :lines: 15-22
 
-Next we have to define the chemical system we want to solve. 
+To create a :cpp:class:`micm::RosenbrockSolver`, we have to define a chemical system (:cpp:class:`micm::System`)
+and our reactions, which will be a vector of :cpp:class:`micm::Process` We will use the species to define these.
 
 .. tabs::
 
@@ -84,15 +85,83 @@ Next we have to define the chemical system we want to solve.
 
         To do this by hand, we have to define all of the chemical species in the system. This allows us to set
         any properties of the species that may be necessary for rate constanta calculations, like molecular weights 
-        and diffusion coefficients for the surface reaction. 
+        and diffusion coefficients for the surface reaction.  We will also put these species into the gas phase.
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
           :language: cpp
-          :lines: 25-31
+          :lines: 56-67
 
-        Products are created with a :cpp:type:`micm::Yield` :cpp:func:`micm::yields`
+        Now that we have a gas phase and our species, we can start building the reactions. Two things to note are that
+        stoichiemtric coefficients for reactants are represented by repeating that product as many times as you need.
+        To specify the yield of a product, we've created a typedef :cpp:type:`micm::Yield` 
+        and a function :cpp:func:`micm::yields` that produces these.
+
+        .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
+          :language: cpp
+          :lines: 69-133
+        
+        And finally we define our chemical system and reactions
+
+        .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
+          :language: cpp
+          :lines: 135-136
 
     .. tab:: OpenAtmos Configuration reading
 
+        After defining a valid OpenAtmos configuration with reactions that ``micm`` supports, configuring the chemical
+        system and the processes is as simple as using the :cpp:class:`micm::SolverConfig` class
+
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
-          :language: cpp
\ No newline at end of file
+          :language: cpp
+          :lines: 60-72
+
+Now that we have a chemical system and a list of reactions, we can create the RosenbrockSolver.
+There are several ways to configure the solver. Here we are using a three stage solver. More options
+can be found in the :cpp:class:`micm::RosenbrockSolverParameters`
+
+  .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
+    :language: cpp
+    :lines: 138-140
+
+The rosenbrock solver will provide us a state, which we can use to set the concentrations,
+custom rate parameters, and temperature and pressure
+
+  .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
+    :language: cpp
+    :lines: 141-155
+
+Finally, we are ready to pick a timestep ans solve the system.
+
+  .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
+    :language: cpp
+    :lines: 157-183
+
+
+This is the output:
+
+
++-------+------------+------------+------------+------------+------------+------------+------------+
+| time  |     A      |     B      |     C      |     D      |     E      |     F      |     G      |
++=======+============+============+============+============+============+============+============+
+|   0   | 1.00e+00   | 0.00e+00   | 0.00e+00   | 0.00e+00   | 0.00e+00   | 0.00e+00   | 0.00e+00   |
++-------+------------+------------+------------+------------+------------+------------+------------+
+|  500  | 3.22e-09   | 3.70e-09   | 9.67e-01   | 3.92e-14   | 1.38e-03   | 2.04e-13   | 7.69e-03   |
++-------+------------+------------+------------+------------+------------+------------+------------+
+| 1000  | 1.15e-14   | 1.33e-14   | 9.35e-01   | 1.40e-19   | 1.34e-03   | 7.31e-19   | 1.56e-02   |
++-------+------------+------------+------------+------------+------------+------------+------------+
+| 1500  | 4.14e-20   | 4.76e-20   | 9.06e-01   | 5.04e-25   | 1.29e-03   | 2.62e-24   | 2.30e-02   |
++-------+------------+------------+------------+------------+------------+------------+------------+
+| 2000  | 1.48e-25   | 1.71e-25   | 8.78e-01   | 1.81e-30   | 1.26e-03   | 9.40e-30   | 3.00e-02   |
++-------+------------+------------+------------+------------+------------+------------+------------+
+| 2500  | 5.32e-31   | 6.12e-31   | 8.52e-01   | 6.47e-36   | 1.22e-03   | 3.37e-35   | 3.65e-02   |
++-------+------------+------------+------------+------------+------------+------------+------------+
+| 3000  | 1.91e-36   | 2.19e-36   | 8.27e-01   | 2.32e-41   | 1.18e-03   | 1.21e-40   | 4.27e-02   |
++-------+------------+------------+------------+------------+------------+------------+------------+
+| 3500  | 6.84e-42   | 7.86e-42   | 8.04e-01   | 8.32e-47   | 1.15e-03   | 4.33e-46   | 4.85e-02   |
++-------+------------+------------+------------+------------+------------+------------+------------+
+| 4000  | 2.45e-47   | 2.82e-47   | 7.82e-01   | 2.98e-52   | 1.12e-03   | 1.55e-51   | 5.40e-02   |
++-------+------------+------------+------------+------------+------------+------------+------------+
+| 4500  | 8.80e-53   | 1.01e-52   | 7.61e-01   | 1.07e-57   | 1.09e-03   | 5.57e-57   | 5.92e-02   |
++-------+------------+------------+------------+------------+------------+------------+------------+
+| 5000  | 3.16e-58   | 3.63e-58   | 7.42e-01   | 3.84e-63   | 1.06e-03   | 2.00e-62   | 6.41e-02   |
++-------+------------+------------+------------+------------+------------+------------+------------+
\ No newline at end of file
diff --git a/include/micm/process/surface_rate_constant.hpp b/include/micm/process/surface_rate_constant.hpp
index 1fc313640..69ae4bb24 100644
--- a/include/micm/process/surface_rate_constant.hpp
+++ b/include/micm/process/surface_rate_constant.hpp
@@ -77,8 +77,9 @@ namespace micm
     const double mean_free_speed = std::sqrt(mean_free_speed_factor_ * conditions.temperature_);
     const double radius = *(custom_parameters++);
     const double number = *(custom_parameters);
-    return (double)4.0 * number * M_PI * radius * radius /
+    double val = (double)4.0 * number * M_PI * radius * radius /
            (radius / diffusion_coefficient_ + 4.0 / (mean_free_speed * parameters_.reaction_probability_));
+    return val;
   }
 
   inline std::vector<std::string> SurfaceRateConstant::CustomParameters() const
@@ -91,4 +92,4 @@ namespace micm
   {
     return 2;
   }
-}  // namespace micm
\ No newline at end of file
+}  // namespace micm
diff --git a/include/micm/process/ternary_chemical_activation_rate_constant.hpp b/include/micm/process/ternary_chemical_activation_rate_constant.hpp
index 2b2f99fff..715fce2d2 100644
--- a/include/micm/process/ternary_chemical_activation_rate_constant.hpp
+++ b/include/micm/process/ternary_chemical_activation_rate_constant.hpp
@@ -79,7 +79,8 @@ namespace micm
       const Conditions& conditions,
       std::vector<double>::const_iterator custom_parameters) const
   {
-    return calculate(conditions.temperature_, conditions.air_density_);
+    double val = calculate(conditions.temperature_, conditions.air_density_);
+    return val;
   }
 
   inline double TernaryChemicalActivationRateConstant::calculate(const double& temperature, const double& air_number_density)
diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index 1e8fbab8d..8ecf7d14a 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -85,19 +85,38 @@ namespace micm
     // Print RosenbrockSolverParameters to console
     void print() const;
 
+    /// @brief an L-stable method, 2 stages, order 2
+    /// @param number_of_grid_cells 
+    /// @param reorder_state 
+    /// @return 
     static RosenbrockSolverParameters two_stage_rosenbrock_parameters(
         size_t number_of_grid_cells = 1,
         bool reorder_state = true);
+    /// @brief an L-stable method, 3 stages, order 3, 2 function evaluations
+    /// @param number_of_grid_cells 
+    /// @param reorder_state 
+    /// @return 
     static RosenbrockSolverParameters three_stage_rosenbrock_parameters(
         size_t number_of_grid_cells = 1,
         bool reorder_state = true);
+    /// @brief L-stable rosenbrock method of order 4, with 4 stages
+    /// @param number_of_grid_cells 
+    /// @param reorder_state 
+    /// @return 
     static RosenbrockSolverParameters four_stage_rosenbrock_parameters(
         size_t number_of_grid_cells = 1,
         bool reorder_state = true);
-
+    /// @brief A stiffly-stable method, 4 stages, order 3
+    /// @param number_of_grid_cells 
+    /// @param reorder_state 
+    /// @return 
     static RosenbrockSolverParameters four_stage_differential_algebraic_rosenbrock_parameters(
         size_t number_of_grid_cells = 1,
         bool reorder_state = true);
+    /// @brief stiffly-stable rosenbrock method of order 4, with 6 stages
+    /// @param number_of_grid_cells 
+    /// @param reorder_state 
+    /// @return 
     static RosenbrockSolverParameters six_stage_differential_algebraic_rosenbrock_parameters(
         size_t number_of_grid_cells = 1,
         bool reorder_state = true);
diff --git a/test/tutorial/configs/rate_constants_no_user_defined.zip b/test/tutorial/configs/rate_constants_no_user_defined.zip
index 5e13a502774b94a2f6da40b55b1b1f4db67a6055..157771106c75c251cbd2d5c636e365927ef1f792 100644
GIT binary patch
delta 44
vcmeyt_JeK0L+0pA?uk$4fvC-`j7E&CKt}4e$pOqFlP@q;gM=shF>3(;ef$qP

delta 44
xcmeyt_JeK0L+0&#Toa$nW8TEawYinih>;b@Pu(^-fLUbn1*U3{@MJ$`EdYME4=?}#

diff --git a/test/tutorial/configs/rate_constants_no_user_defined/reactions.json b/test/tutorial/configs/rate_constants_no_user_defined/reactions.json
index 772d7048c..63f1d3a80 100644
--- a/test/tutorial/configs/rate_constants_no_user_defined/reactions.json
+++ b/test/tutorial/configs/rate_constants_no_user_defined/reactions.json
@@ -1,3 +1,99 @@
-{ 
-  asdf
+{
+  "camp-data": [
+    {
+      "name": "reaction rates no user defined",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "ARRHENIUS",
+          "reactants": {
+            "A": {}
+          },
+          "products": {
+            "B": {}
+          },
+          "A": 2.15e-1,
+          "B": 0,
+          "C": 110.0
+        },
+        {
+          "type": "BRANCHED",
+          "reactants": {
+            "B": {}
+          },
+          "alkoxy products": {
+            "C": {}
+          },
+          "nitrate products": {
+            "D": {}
+          },
+          "Y": 204.3,
+          "X": 1.2,
+          "a0": 1.0e-3,
+          "n": 2
+        },
+        {
+          "type": "SURFACE",
+          "gas-phase reactant": "C",
+          "gas-phase products": {
+            "E": {
+              "yield": 1.0
+            }
+          },
+          "MUSICA name": "C surface",
+          "reaction probability": 0.90
+        },
+        {
+          "type": "TERNARY_CHEMICAL_ACTIVATION",
+          "reactants": {
+            "D": { }
+          },
+          "products": {
+            "F": {
+              "yield": 2
+            }
+          },
+          "k0_A": 1.2,
+          "k0_B": 2.3,
+          "k0_C": 302.3,
+          "kinf_A": 2.6,
+          "kinf_B": -3.1,
+          "kinf_C": 402.1,
+          "Fc": 0.9,
+          "N": 1.2
+        },
+        {
+          "type": "TROE",
+          "k0_A": 1.2e4,
+          "k0_B": 167.0,
+          "k0_C": 3.0,
+          "kinf_A": 136.0,
+          "kinf_B": 5.0,
+          "kinf_C": 24.0,
+          "Fc": 0.9,
+          "N": 0.8,
+          "reactants": {
+            "E": {
+              "qty": 2
+            }
+          },
+          "products": {
+            "G": {}
+          }
+        },
+        {
+          "type": "TUNNELING",
+          "reactants": {
+            "F": {}
+          },
+          "products": {
+            "G": {}
+          },
+          "A": 1.2,
+          "B": 2.3,
+          "C": 302.3
+        }
+      ]
+    }
+  ]
 }
\ No newline at end of file
diff --git a/test/tutorial/configs/rate_constants_no_user_defined/species.json b/test/tutorial/configs/rate_constants_no_user_defined/species.json
index 21bdae398..5b6c4f171 100644
--- a/test/tutorial/configs/rate_constants_no_user_defined/species.json
+++ b/test/tutorial/configs/rate_constants_no_user_defined/species.json
@@ -1,3 +1,34 @@
-{ 
-  basd
+{
+  "camp-data": [
+    {
+      "name": "A",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "B",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "C",
+      "type": "CHEM_SPEC",
+      "molecular weight [kg mol-1]" : 0.025,
+      "diffusion coefficient [m2 s-1]" : 2.3e2
+    },
+    {
+      "name": "D",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "E",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "F",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "G",
+      "type": "CHEM_SPEC"
+    }
+  ]
 }
\ No newline at end of file
diff --git a/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp b/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
index bbd8074d9..b53f2851a 100644
--- a/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
+++ b/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
@@ -22,30 +22,33 @@ using SparseMatrixPolicy = SparseMatrix<T>;
 
 void print_header()
 {
-  std::cout << std::setw(4) << "time"
-            << ", " << std::setw(18) << "A"
-            << ", " << std::setw(18) << "B"
-            << ", " << std::setw(18) << "C"
-            << ", " << std::setw(18) << "D" 
-            << ", " << std::setw(18) << "E" 
-            << ", " << std::setw(18) << "F" 
-            << ", " << std::setw(18) << "G" 
-            << std::endl;
+  std::cout << std::setw(5) << "time"
+            << "," << std::setw(11) << "A"
+            << "," << std::setw(10) << "B"
+            << "," << std::setw(10) << "C"
+            << "," << std::setw(10) << "D"
+            << "," << std::setw(10) << "E"
+            << "," << std::setw(10) << "F"
+            << "," << std::setw(10) << "G" << std::endl;
 }
 
 template<template<class> class T>
 void print_state(double time, State<T>& state)
 {
-  std::cout << std::defaultfloat << std::setw(4) << time << ", "
-            << std::scientific << std::setprecision(10)
-            << std::setw(18) << state.variables_[0][state.variable_map_["A"]] << ", " 
-            << std::setw(18) << state.variables_[0][state.variable_map_["B"]] << ", " 
-            << std::setw(18) << state.variables_[0][state.variable_map_["C"]] << ", " 
-            << std::setw(18) << state.variables_[0][state.variable_map_["D"]] << ", " 
-            << std::setw(18) << state.variables_[0][state.variable_map_["E"]] << ", " 
-            << std::setw(18) << state.variables_[0][state.variable_map_["F"]] << ", " 
-            << std::setw(18) << state.variables_[0][state.variable_map_["G"]] 
-            << std::endl;
+  std::ios oldState(nullptr);
+  oldState.copyfmt(std::cout);
+
+  std::cout << std::setw(5) << time << ", " << std::flush;
+
+  std::cout << std::scientific << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["A"]]
+            << "," << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["B"]] << ","
+            << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["C"]] << "," << std::setw(10)
+            << std::setprecision(2) << state.variables_[0][state.variable_map_["D"]] << "," << std::setw(10)
+            << std::setprecision(2) << state.variables_[0][state.variable_map_["E"]] << "," << std::setw(10)
+            << std::setprecision(2) << state.variables_[0][state.variable_map_["F"]] << "," << std::setw(10)
+            << std::setprecision(2) << state.variables_[0][state.variable_map_["G"]] << std::endl;
+
+  std::cout.copyfmt(oldState);
 }
 
 int main(const int argc, const char* argv[])
@@ -87,14 +90,12 @@ int main(const int argc, const char* argv[])
                    .rate_constant(BranchedRateConstant(branched_params))
                    .phase(gas_phase);
 
-  // to have a stoichiemetric coefficient of more than one for reactants,
-  // list the reactant that many times
   // A surface rate constant also needs to know the effective radius and particle number concentration
   // we will set those later
   Process r4 = Process::create()
-                   .reactants({ c, c })
+                   .reactants({ c })
                    .products({ yields(e, 1) })
-                   .rate_constant(SurfaceRateConstant({ .label_ = "c", .species_ = c, .reaction_probability_ = 0.74 }))
+                   .rate_constant(SurfaceRateConstant({ .label_ = "C", .species_ = c, .reaction_probability_ = 0.90 }))
                    .phase(gas_phase);
 
   Process r5 = Process::create()
@@ -110,10 +111,12 @@ int main(const int argc, const char* argv[])
                                                                           .N_ = 1.2 }))
                    .phase(gas_phase);
 
+  // to have a stoichiemetric coefficient of more than one for reactants,
+  // list the reactant that many times
   Process r6 = Process::create()
-                   .reactants({ e })
+                   .reactants({ e, e })
                    .products({ yields(g, 1) })
-                   .rate_constant(TroeRateConstant({ .k0_A_ = 1.2e-12,
+                   .rate_constant(TroeRateConstant({ .k0_A_ = 1.2e4,
                                                      .k0_B_ = 167.0,
                                                      .k0_C_ = 3.0,
                                                      .kinf_A_ = 136.0,
@@ -148,11 +151,11 @@ int main(const int argc, const char* argv[])
   state.SetConcentration(f, 0.0);  // mol m-3
   state.SetConcentration(g, 0.0);  // mol m-3
 
-  state.SetCustomRateParameter("c.effective radius [m]", 1e-7);
-  state.SetCustomRateParameter("c.particle number concentration [# m-3]", 2.5e6);
+  state.SetCustomRateParameter("C.effective radius [m]", 1e-7);
+  state.SetCustomRateParameter("C.particle number concentration [# m-3]", 2.5e6);
 
-  // choose a timestep a print the initial state
-  double time_step = 500; // s
+  // choose and timestep a print the initial state
+  double time_step = 500;  // s
 
   print_header();
   print_state(0, state);
diff --git a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
index 08e07215a..38f0f0089 100644
--- a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
+++ b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
@@ -1,13 +1,127 @@
+// #ifdef USE_JSON
+
+#include <format>
 #include <iomanip>
 #include <iostream>
+#include <map>
+
+// Each rate constant is in its own header file
+#include <micm/configure/solver_config.hpp>
 #include <micm/process/arrhenius_rate_constant.hpp>
+#include <micm/process/branched_rate_constant.hpp>
+#include <micm/process/surface_rate_constant.hpp>
+#include <micm/process/ternary_chemical_activation_rate_constant.hpp>
+#include <micm/process/troe_rate_constant.hpp>
+#include <micm/process/tunneling_rate_constant.hpp>
 #include <micm/solver/rosenbrock.hpp>
 
+// Use our namespace so that this example is easier to read
 using namespace micm;
 
+// The Rosenbrock solver can use many matrix ordering types
+// Here, we use the default ordering, but we still need to provide a templated
+// Arguent to the solver so it can use the proper ordering with any data type
 template<class T>
 using SparseMatrixPolicy = SparseMatrix<T>;
 
-int main(const int argc, const char *argv[])
+void print_header()
+{
+  std::cout << std::setw(5) << "time"
+            << "," << std::setw(10) << "A"
+            << "," << std::setw(9) << "B"
+            << "," << std::setw(9) << "C"
+            << "," << std::setw(9) << "D"
+            << "," << std::setw(9) << "E"
+            << "," << std::setw(9) << "F"
+            << "," << std::setw(10) << "G" << std::endl;
+}
+
+template<template<class> class T>
+void print_state(double time, State<T>& state)
 {
-}
\ No newline at end of file
+  std::ios oldState(nullptr);
+  oldState.copyfmt(std::cout);
+
+  std::cout << std::setw(5) << time << ", " << std::flush;
+
+  std::cout << std::scientific << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["A"]]
+            << "," << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["B"]] << ","
+            << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["C"]] << "," << std::setw(10)
+            << std::setprecision(2) << state.variables_[0][state.variable_map_["D"]] << "," << std::setw(10)
+            << std::setprecision(2) << state.variables_[0][state.variable_map_["E"]] << "," << std::setw(10)
+            << std::setprecision(2) << state.variables_[0][state.variable_map_["F"]] << "," << std::setw(10)
+            << std::setprecision(2) << state.variables_[0][state.variable_map_["G"]] << std::endl;
+
+  std::cout.copyfmt(oldState);
+}
+
+int main(const int argc, const char* argv[])
+{
+  SolverConfig solverConfig;
+
+  std::string config_path = "./configs/rate_constants_no_user_defined";
+  ConfigParseStatus status = solverConfig.ReadAndParse(config_path);
+  if (status != micm::ConfigParseStatus::Success)
+  {
+    throw "Parsing failed";
+  }
+
+  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
+
+  auto chemical_system = solver_params.system_;
+  auto reactions = solver_params.processes_;
+
+  RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{ chemical_system,
+                                                       reactions,
+                                                       RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+
+  State state = solver.GetState();
+
+  state.conditions_[0].temperature_ = 287.45;  // K
+  state.conditions_[0].pressure_ = 101319.9;   // Pa
+
+  std::unordered_map<std::string, std::vector<double>> intial_concentration = {
+    { "A", { 1.0 } },  // mol m-3
+    { "B", { 0.0 } },  // mol m-3
+    { "C", { 0.0 } },  // mol m-3
+    { "D", { 0.0 } },  // mol m-3
+    { "E", { 0.0 } },  // mol m-3
+    { "F", { 0.0 } },  // mol m-3
+    { "G", { 0.0 } },  // mol m-3
+  };
+
+  state.SetConcentrations(solver_params.system_, intial_concentration);
+
+  state.SetCustomRateParameter("SURF.C surface.effective radius [m]", 1e-7);
+  state.SetCustomRateParameter("SURF.C surface.particle number concentration [# m-3]", 2.5e6);
+
+  // choose a timestep a print the initial state
+  double time_step = 500;  // s
+
+  print_header();
+  print_state(0, state);
+
+  // solve for ten iterations
+  for (int i = 0; i < 10; ++i)
+  {
+    // Depending on how stiff the system is
+    // the solver integration step may not be able to solve for the full time step
+    // so we need to track how much time the solver was able to integrate for and continue
+    // solving until we finish
+    double elapsed_solve_time = 0;
+
+    while (elapsed_solve_time < time_step)
+    {
+      auto result = solver.Solve(time_step - elapsed_solve_time, state);
+      elapsed_solve_time = result.final_time_;
+      // std::cout << "solver state: " << StateToString(result.state_) << std::endl;
+      state.variables_[0] = result.result_.AsVector();
+    }
+
+    print_state(time_step * (i + 1), state);
+  }
+
+  return 0;
+}
+
+// #endif
\ No newline at end of file

From 9e2d69b22f03019591ab2ad6bb4a36a8569ca5a9 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Thu, 21 Sep 2023 15:58:07 -0500
Subject: [PATCH 013/318] showing how to set the state with the config version

---
 .../user_guide/rate_constant_tutorial.rst       | 17 ++++++++++++++---
 1 file changed, 14 insertions(+), 3 deletions(-)

diff --git a/docs/source/user_guide/rate_constant_tutorial.rst b/docs/source/user_guide/rate_constant_tutorial.rst
index 7bbbb9eda..adfe60a8a 100644
--- a/docs/source/user_guide/rate_constant_tutorial.rst
+++ b/docs/source/user_guide/rate_constant_tutorial.rst
@@ -126,9 +126,20 @@ can be found in the :cpp:class:`micm::RosenbrockSolverParameters`
 The rosenbrock solver will provide us a state, which we can use to set the concentrations,
 custom rate parameters, and temperature and pressure
 
-  .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
-    :language: cpp
-    :lines: 141-155
+.. tabs::
+
+    .. tab:: Build the Mechanism with the API
+
+        .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
+          :language: cpp
+          :lines: 141-155
+
+    .. tab:: OpenAtmos Configuration reading
+
+        .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
+          :language: cpp
+          :lines: 78-96
+
 
 Finally, we are ready to pick a timestep ans solve the system.
 

From 193f4eee3c97bc7304cc92688d163098cb7db8b8 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Thu, 21 Sep 2023 16:03:15 -0500
Subject: [PATCH 014/318] correcting zip

---
 docs/source/_static/tutorials/.gitkeep        |   0
 ...e_constants_no_user_defined 4.02.42 PM.zip | Bin 0 -> 1359 bytes
 .../rate_constants_no_user_defined.zip        | Bin 888 -> 0 bytes
 .../reactions.json                            |   3 --
 .../species.json                              |   3 --
 .../user_guide/rate_constant_tutorial.rst     |   4 +-
 test/tutorial/CMakeLists.txt                  |  51 ++++++++++--------
 .../rate_constants_no_user_defined.zip        | Bin 888 -> 0 bytes
 ..._constants_no_user_defined_with_config.cpp |   6 +--
 9 files changed, 32 insertions(+), 35 deletions(-)
 delete mode 100644 docs/source/_static/tutorials/.gitkeep
 create mode 100644 docs/source/_static/tutorials/rate_constants_no_user_defined 4.02.42 PM.zip
 delete mode 100644 docs/source/_static/tutorials/rate_constants_no_user_defined.zip
 delete mode 100644 docs/source/_static/tutorials/test/tutorial/configs/rate_constants_no_user_defined/reactions.json
 delete mode 100644 docs/source/_static/tutorials/test/tutorial/configs/rate_constants_no_user_defined/species.json
 delete mode 100644 test/tutorial/configs/rate_constants_no_user_defined.zip

diff --git a/docs/source/_static/tutorials/.gitkeep b/docs/source/_static/tutorials/.gitkeep
deleted file mode 100644
index e69de29bb..000000000
diff --git a/docs/source/_static/tutorials/rate_constants_no_user_defined 4.02.42 PM.zip b/docs/source/_static/tutorials/rate_constants_no_user_defined 4.02.42 PM.zip
new file mode 100644
index 0000000000000000000000000000000000000000..c18fcdf7ec773141d64250ae177ae3305882ba8d
GIT binary patch
literal 1359
zcmWIWW@Zs#0D+Tr#^GQFl#pjoU?@r~NsUj=&nqrT%quC5&&!W5Elw?pPf1P7%u7wt
z4-MgEV6WohO05H85M5fq&A`agKb3(2Y-j-3a1I6zhTIBMxZzw(3=G<Y4KFT8P0ma$
z*2^l+&jVZ3w~!}w&03z+pFkSTqSeoW0s_4J&gfq7_0;hU*%Z{l#-*VV((Jh)BrYjW
zD<I@#peMUpNKhn$SkbqFuf6<y1*Kt3r?0$9xc<^*n_qg3)x)5jKP^|DTx!|r%Jp>R
z%$Jg?To-S?<Z^I~JshFRs?Ex5%d8x{<I$8eTee(!bmosu>ytlMwrn}`<jfVD1${Bf
ztw}4Ylx-h}DDOE}q<GtTUCQec<>=+siE|x{rmYrZ2=Hd-2np<HS^x}NkoOS*!&!$2
znB(jW47!8^rYJQrxg--9DTtsES_26h5RDczb3<eEn+!y1zlWRH@dq8**}pw1&@*lN
z0zKnyL(x}m&n_^k8F&A$)#ck75V2WY>G`*L_ln=|{B)OL!OP42YXvV%F?)ZIo1Nju
zxp_7s7x|A}Ogpn;e%ox0BPOYw9cBsBH%PGLh`Q-y#65j}`LCI^ebEO2!Ezg`_M)yQ
zC8wYI2AO@@v(Wj@%O6u}(-s73N$7p9;NW~w&?vj)Ozs}evVB?`qvvZ>L@z5n%j12>
zRceaB8Nt&{YB?G+rfBV!Q>u9JWsB>-K<(K5`TM>th|*qnzW-2&&-S(j;r<4~XPa^_
zPrHzQQDU>|bS`57BWF8lPPVsfeaqwI6W!n4*Y@psEA1<B!dkQM(JJSwNpppc9IQQY
z?cl~T&5*lOE|$DWV)^8HNa5yD?N`P}uN<xWST(Iga^2w)eVw#>FMnq~s$i+y%=-OG
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M!bG6qH<&>@0G0gbU;qFB

literal 0
HcmV?d00001

diff --git a/docs/source/_static/tutorials/rate_constants_no_user_defined.zip b/docs/source/_static/tutorials/rate_constants_no_user_defined.zip
deleted file mode 100644
index 5e13a502774b94a2f6da40b55b1b1f4db67a6055..0000000000000000000000000000000000000000
GIT binary patch
literal 0
HcmV?d00001

literal 888
zcmWIWW@Zs#0D+Tr#^GQFl(1k>V9?XkFG(#f(Jv`2$uG)G%+XKI&r8cpFV-(gEJ=+A
za*9h5^Gb^2^YY_Mi&Kl@Q&Q71^HNjvLqm8O*sHj>QtN;iM3+`@GcdCBPi0^L+ZF(}
zm4ktUp}P@bD>u+)7Yb}GE=WzzOfA;SD$dUXyI>n1SL${k2GM9PSRM8tD8R!@$M4}P
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zm>c0hMkWzv-0=pDLWZ}FAQtUn5#kD1JR%1nC>~*8Nn;rWt{^2=1H2I~0!1Bin1P}W
g29`96GLj!Iq(x+aH!B;+US=R%1GIG;5Hm0U0E;;4n*aa+

diff --git a/docs/source/_static/tutorials/test/tutorial/configs/rate_constants_no_user_defined/reactions.json b/docs/source/_static/tutorials/test/tutorial/configs/rate_constants_no_user_defined/reactions.json
deleted file mode 100644
index 772d7048c..000000000
--- a/docs/source/_static/tutorials/test/tutorial/configs/rate_constants_no_user_defined/reactions.json
+++ /dev/null
@@ -1,3 +0,0 @@
-{ 
-  asdf
-}
\ No newline at end of file
diff --git a/docs/source/_static/tutorials/test/tutorial/configs/rate_constants_no_user_defined/species.json b/docs/source/_static/tutorials/test/tutorial/configs/rate_constants_no_user_defined/species.json
deleted file mode 100644
index 21bdae398..000000000
--- a/docs/source/_static/tutorials/test/tutorial/configs/rate_constants_no_user_defined/species.json
+++ /dev/null
@@ -1,3 +0,0 @@
-{ 
-  basd
-}
\ No newline at end of file
diff --git a/docs/source/user_guide/rate_constant_tutorial.rst b/docs/source/user_guide/rate_constant_tutorial.rst
index adfe60a8a..c09ea83ca 100644
--- a/docs/source/user_guide/rate_constant_tutorial.rst
+++ b/docs/source/user_guide/rate_constant_tutorial.rst
@@ -113,7 +113,7 @@ and our reactions, which will be a vector of :cpp:class:`micm::Process` We will
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
           :language: cpp
-          :lines: 60-72
+          :lines: 58-70
 
 Now that we have a chemical system and a list of reactions, we can create the RosenbrockSolver.
 There are several ways to configure the solver. Here we are using a three stage solver. More options
@@ -138,7 +138,7 @@ custom rate parameters, and temperature and pressure
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
           :language: cpp
-          :lines: 78-96
+          :lines: 76-94
 
 
 Finally, we are ready to pick a timestep ans solve the system.
diff --git a/test/tutorial/CMakeLists.txt b/test/tutorial/CMakeLists.txt
index d1f4cfdaf..430a4e8c5 100644
--- a/test/tutorial/CMakeLists.txt
+++ b/test/tutorial/CMakeLists.txt
@@ -8,7 +8,9 @@ include(test_util)
 
 create_standard_test(NAME README_example SOURCES test_README_example.cpp)
 create_standard_test(NAME rate_constants_no_user_defined_example_by_hand SOURCES test_rate_constants_no_user_defined_by_hand.cpp)
-create_standard_test(NAME rate_constants_no_user_defined_example_with_config SOURCES test_rate_constants_no_user_defined_with_config.cpp)
+if(ENABLE_JSON)
+  create_standard_test(NAME rate_constants_no_user_defined_example_with_config SOURCES test_rate_constants_no_user_defined_with_config.cpp)
+endif()
 
 ################################################################################
 # Copy test data
@@ -20,29 +22,34 @@ add_custom_target(copy_tutorial_configs ALL ${CMAKE_COMMAND} -E copy_directory
 # Create zip folders of the configurations so that they can be 
 # placed in the docs _static folder for downloads
 
-file(GLOB subdirectories LIST_DIRECTORIES true "${CMAKE_CURRENT_SOURCE_DIR}/configs/*")
+# ~~~~~~~~~~~~~~~~
+# There appears to be a bug with the archive create: https://gitlab.kitware.com/cmake/cmake/-/issues/25260
+# ~~~~~~~~~~~~~~~~
 
-# Loop through the list of directories
-foreach(subdirectory ${subdirectories})
-    # Check if the current item is a directory
-    if(IS_DIRECTORY ${subdirectory})
-        # Extract the directory name from the path
-        get_filename_component(directory_name ${subdirectory} NAME)
 
-        # set the output file name
-        # set(output_archive "${CMAKE_SOURCE_DIR}/docs/source/_static/tutorials/${directory_name}.zip")
-        set(output_archive "${CMAKE_CURRENT_SOURCE_DIR}/configs/${directory_name}.zip")
+# file(GLOB subdirectories LIST_DIRECTORIES true "${CMAKE_CURRENT_SOURCE_DIR}/configs/*")
 
-        message(STATUS "subdirectory: ${subdirectory}")
+# # Loop through the list of directories
+# foreach(subdirectory ${subdirectories})
+#     # Check if the current item is a directory
+#     if(IS_DIRECTORY ${subdirectory})
+#         # Extract the directory name from the path
+#         get_filename_component(directory_name ${subdirectory} NAME)
 
-        # create the archive
-        file(ARCHIVE_CREATE
-          OUTPUT "${output_archive}"
-          PATHS 
-              "${subdirectory}"
-          FORMAT "zip"
-        )
+#         # set the output file name
+#         # set(output_archive "${CMAKE_SOURCE_DIR}/docs/source/_static/tutorials/${directory_name}.zip")
+#         set(output_archive "${CMAKE_CURRENT_SOURCE_DIR}/configs/${directory_name}.zip")
 
-        message(STATUS "Created archive: ${output_archive}")
-    endif()
-endforeach()
\ No newline at end of file
+#         message(STATUS "subdirectory: ${subdirectory}")
+
+#         # create the archive
+#         file(ARCHIVE_CREATE
+#           OUTPUT "${output_archive}"
+#           PATHS 
+#               "${subdirectory}"
+#           FORMAT "zip"
+#         )
+
+#         message(STATUS "Created archive: ${output_archive}")
+#     endif()
+# endforeach()
\ No newline at end of file
diff --git a/test/tutorial/configs/rate_constants_no_user_defined.zip b/test/tutorial/configs/rate_constants_no_user_defined.zip
deleted file mode 100644
index 157771106c75c251cbd2d5c636e365927ef1f792..0000000000000000000000000000000000000000
GIT binary patch
literal 0
HcmV?d00001

literal 888
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za*9h5^Gb^2^YY_Mi&Kl@Q&Q71^HNjvLqm8O*sHj>QtN;iM3+`@GcdCBPi0^L+ZF(}
zm4ktUp}P@bD>u+)7Yb}GE=WzzOfA;SD$dUXyI>n1S88-7cPfZRbHVDc2SEWIUOIjc
zSFth#c(ZeSJ0Ba#3v>X;5eVmXqB+lv0_PQ_CMK6;0>cd9z)esGf@rJ`)baCt40YhA
zLyNf)4rF8!Va6SA&?sbh>j+}eE*2rKfW;$n5Q5?n29`9IQQ!(vVl}`U;UZAfA%__#
h>R@0=qbMW!;X+zO26(fwf$U`l!Zko!w*fH&0|1nB>ZJex

diff --git a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
index 38f0f0089..7012ae410 100644
--- a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
+++ b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
@@ -1,5 +1,3 @@
-// #ifdef USE_JSON
-
 #include <format>
 #include <iomanip>
 #include <iostream>
@@ -122,6 +120,4 @@ int main(const int argc, const char* argv[])
   }
 
   return 0;
-}
-
-// #endif
\ No newline at end of file
+}
\ No newline at end of file

From 3b854e1165e267bde206f2bd58d8437fb029fdcc Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Thu, 21 Sep 2023 16:05:00 -0500
Subject: [PATCH 015/318] correcting zip name

---
 ...42 PM.zip => rate_constants_no_user_defined.zip} | Bin
 1 file changed, 0 insertions(+), 0 deletions(-)
 rename docs/source/_static/tutorials/{rate_constants_no_user_defined 4.02.42 PM.zip => rate_constants_no_user_defined.zip} (100%)

diff --git a/docs/source/_static/tutorials/rate_constants_no_user_defined 4.02.42 PM.zip b/docs/source/_static/tutorials/rate_constants_no_user_defined.zip
similarity index 100%
rename from docs/source/_static/tutorials/rate_constants_no_user_defined 4.02.42 PM.zip
rename to docs/source/_static/tutorials/rate_constants_no_user_defined.zip

From c021c5be7bea840231deb091b396472e54689b8b Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Thu, 21 Sep 2023 16:10:54 -0500
Subject: [PATCH 016/318] removing format

---
 docs/source/user_guide/rate_constant_tutorial.rst             | 4 ++--
 .../test_rate_constants_no_user_defined_with_config.cpp       | 1 -
 2 files changed, 2 insertions(+), 3 deletions(-)

diff --git a/docs/source/user_guide/rate_constant_tutorial.rst b/docs/source/user_guide/rate_constant_tutorial.rst
index c09ea83ca..4fed39121 100644
--- a/docs/source/user_guide/rate_constant_tutorial.rst
+++ b/docs/source/user_guide/rate_constant_tutorial.rst
@@ -113,7 +113,7 @@ and our reactions, which will be a vector of :cpp:class:`micm::Process` We will
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
           :language: cpp
-          :lines: 58-70
+          :lines: 57-69
 
 Now that we have a chemical system and a list of reactions, we can create the RosenbrockSolver.
 There are several ways to configure the solver. Here we are using a three stage solver. More options
@@ -138,7 +138,7 @@ custom rate parameters, and temperature and pressure
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
           :language: cpp
-          :lines: 76-94
+          :lines: 75-93
 
 
 Finally, we are ready to pick a timestep ans solve the system.
diff --git a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
index 7012ae410..a43b9a69b 100644
--- a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
+++ b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
@@ -1,4 +1,3 @@
-#include <format>
 #include <iomanip>
 #include <iostream>
 #include <map>

From 05d72f283bff13ae9ea497f5c1f287ee14aff83f Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Fri, 22 Sep 2023 07:55:57 -0600
Subject: [PATCH 017/318] Temporary assumption that camp file list is ordered.

---
 include/micm/configure/solver_config.hpp | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 643acb4a2..29096098a 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -104,7 +104,6 @@ namespace micm
     std::vector<Process> processes_;
 
     // Constants
-    // find names from config.json
     // Configure files
     static const inline std::string CAMP_CONFIG = "config.json";
     static const inline std::string SPECIES_CONFIG = "species.json";
@@ -144,6 +143,9 @@ namespace micm
           std::cout << element.get<std::string>() << std::endl;
           camp_files.push_back(element.get<std::string>());
         }
+        // Temporary, for development purposes, assume camp files are ordered
+        species_config = camp_files[0];
+        reactions_config = camp_files[1];
       }
 
       // Current reaction configs should be either mechanism_config or reactions config

From da2cab5a80cd8fe5642fd680c2df520212561d9f Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Fri, 22 Sep 2023 13:25:36 -0500
Subject: [PATCH 018/318] adding user-defined tutorial

---
 .../tutorials/rate_constants_user_defined.zip | Bin 0 -> 1426 bytes
 .../user_guide/rate_constant_tutorial.rst     |   4 +-
 .../user_defined_rate_constant_tutorial.rst   | 236 +++++++++++++++++-
 test/tutorial/CMakeLists.txt                  |   3 +
 .../reactions.json                            | 119 +++++++++
 .../rate_constants_user_defined/species.json  |  34 +++
 ...st_rate_constants_user_defined_by_hand.cpp | 211 ++++++++++++++++
 ...ate_constants_user_defined_with_config.cpp | 131 ++++++++++
 8 files changed, 736 insertions(+), 2 deletions(-)
 create mode 100644 docs/source/_static/tutorials/rate_constants_user_defined.zip
 create mode 100644 test/tutorial/configs/rate_constants_user_defined/reactions.json
 create mode 100644 test/tutorial/configs/rate_constants_user_defined/species.json
 create mode 100644 test/tutorial/test_rate_constants_user_defined_by_hand.cpp
 create mode 100644 test/tutorial/test_rate_constants_user_defined_with_config.cpp

diff --git a/docs/source/_static/tutorials/rate_constants_user_defined.zip b/docs/source/_static/tutorials/rate_constants_user_defined.zip
new file mode 100644
index 0000000000000000000000000000000000000000..cc844e733b564a648a5b1b5f0353e8ee20467a9d
GIT binary patch
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diff --git a/docs/source/user_guide/rate_constant_tutorial.rst b/docs/source/user_guide/rate_constant_tutorial.rst
index 4fed39121..c8a0d2999 100644
--- a/docs/source/user_guide/rate_constant_tutorial.rst
+++ b/docs/source/user_guide/rate_constant_tutorial.rst
@@ -35,7 +35,9 @@ We'll setup and solve a fake chemical system with 7 species and 6 reactions,
 
 MICM can be configured in two ways. We can either build the mechanism up by hand with the ``micm`` API,
 or parse a valid mechanism Configuration
-in the OpenAtmos format. In this tutorial, we will do both. If you're looking for a copy and paste, choose
+in the OpenAtmos format. In this tutorial, we will do both. 
+
+If you're looking for a copy and paste, choose
 the appropriate tab below and be on your way! Otherwise, stick around for a line by line explanation.
 
 
diff --git a/docs/source/user_guide/user_defined_rate_constant_tutorial.rst b/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
index 088af3302..c970afac2 100644
--- a/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
+++ b/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
@@ -1,4 +1,238 @@
 .. _User defined rate constants:
 
-User Defined Rate Constants
+User-Defined Rate Constants
 ###########################
+
+This tutorial extends the :ref:`Rate constants` tutorial. That one showed how to use every type of rate constant
+except the user-defined ones. The difference is that a user-defined rate constant must be updated by the user,
+whereas the other rate constants update in response to a changing state. 
+
+Internal to MICM, user-defined rate constants determine provide the ability to represent 
+emissions, loss, and photolysis rates. These can be static and the same for each time step, or dynamically updated 
+during the simulation.
+
+To show how this works, we'll add one photolysis reaction, one first-order loss reaction, and one emission
+
+.. math::
+
+  A &\longrightarrow B, &k_{1, \mathrm{arrhenius}} \\
+  B &\longrightarrow C (\mathrm{alkoxy\ products}) + D (\mathrm{nitrate\ products}), &k_{2, \mathrm{branched}} \\
+  C &\longrightarrow E, &k_{3, \mathrm{surface}} \\
+  D &\longrightarrow 2F, &k_{4, \mathrm{ternary\ chemical\ activation}} \\
+  2E &\longrightarrow G, &k_{5, \mathrm{troe}} \\
+  F &\longrightarrow G, &k_{6, \mathrm{tunneling}} \\
+  C &\longrightarrow G, &k_{7, \mathrm{photolysis}} \\
+  &\longrightarrow A, &k_{8, \mathrm{emission}} \\
+  B &\longrightarrow, &k_{9, \mathrm{loss}} \\
+
+
+If you're looking for a copy and paste, choose
+the appropriate tab below and be on your way! Otherwise, stick around for a line by line explanation.
+
+.. tabs::
+
+    .. tab:: Build the Mechanism with the API
+
+        .. literalinclude:: ../../../test/tutorial/test_rate_constants_user_defined_by_hand.cpp
+          :language: cpp
+
+    .. tab:: OpenAtmos Configuration reading
+
+        .. raw:: html
+
+            <div class="download-div">
+              <a href="../_static/tutorials/rate_constants_user_defined.zip" download>
+                <button class="download-button">Download zip configuration</button>
+              </a>
+            </div>
+
+        .. literalinclude:: ../../../test/tutorial/test_rate_constants_user_defined_with_config.cpp
+          :language: cpp
+
+Line-by-line explanation
+------------------------
+
+Adding the custom rate constant is quite simple. Include the header file:
+
+.. code-block:: diff
+
+     #include <micm/process/arrhenius_rate_constant.hpp>
+     #include <micm/process/branched_rate_constant.hpp>
+     #include <micm/process/surface_rate_constant.hpp>
+     #include <micm/process/ternary_chemical_activation_rate_constant.hpp>
+     #include <micm/process/troe_rate_constant.hpp>
+     #include <micm/process/tunneling_rate_constant.hpp>
+    +#include <micm/process/user_defined_rate_constant.hpp>
+     #include <micm/solver/rosenbrock.hpp>
+
+
+Then setup the reaction which will use this rate constant:
+
+
+
+.. tabs::
+
+    .. tab:: Build the Mechanism with the API
+
+        .. code-block:: diff
+
+             Process r7 = Process::create()
+                             .reactants({ f })
+                             .products({ yields(g, 1) })
+                             .rate_constant(TunnelingRateConstant({ .A_ = 1.2, .B_ = 2.3, .C_ = 302.3 }))
+                             .phase(gas_phase);
+
+            + Process r8 = Process::create()
+            +                 .reactants({ c })
+            +                 .products({ yields(g, 1) })
+            +                 .rate_constant(UserDefinedRateConstant({.label_="my rate"}))
+            +                 .phase(gas_phase);
+
+            + Process r9 = Process::create()
+            +                 .products({ yields(a, 1) })
+            +                 .rate_constant(UserDefinedRateConstant({.label_="my emission rate"}))
+            +                 .phase(gas_phase);
+
+            + Process r10 = Process::create()
+            +                 .reactants({ b })
+            +                 .rate_constant(UserDefinedRateConstant({.label_="my loss rate"}))
+            +                 .phase(gas_phase);
+
+             auto chemical_system = System(micm::SystemParameters{ .gas_phase_ = gas_phase });
+            - auto reactions = std::vector<micm::Process>{ r1, r2, r3, r4, r5, r6, r7 };
+            + auto reactions = std::vector<micm::Process>{ r1, r2, r3, r4, r5, r6, r7, r8, r9, r10 };
+
+
+
+    .. tab:: OpenAtmos Configuration reading
+
+        In this case, you only need to add the configuration to the reactions.json file in the configuration directory.
+
+
+        .. code-block:: diff
+
+           + {
+           +   "type": "PHOTOLYSIS",
+           +   "reactants": {
+           +     "C": {}
+           +   },
+           +   "products": {
+           +     "G": {}
+           +   },
+           +   "MUSICA name": "my photolysis rate"
+           + },
+           + {
+           +   "type": "FIRST_ORDER_LOSS",
+           +   "species": "B",
+           +   "MUSICA name": "my loss rate"
+           + },
+           + {
+           +   "type": "EMISSION",
+           +   "species": "A",
+           +   "MUSICA name": "my emission rate"
+           + }
+
+
+Finally, set and upate the rate constants as needed:
+
+
+
+.. tabs::
+
+    .. tab:: Build the Mechanism with the API
+
+        .. code-block:: diff
+
+          +double photo_rate = 1e-10;
+          +double emission_rate = 1e-20;
+          +double loss = emission_rate * 1e-3;
+          +// these rates are constant through the simulation
+          +state.SetCustomRateParameter("my emission rate", emission_rate);
+          +state.SetCustomRateParameter("my loss rate", loss);
+           // solve for ten iterations
+           for (int i = 0; i < 10; ++i)
+           {
+             // Depending on how stiff the system is
+             // the solver integration step may not be able to solve for the full time step
+             // so we need to track how much time the solver was able to integrate for and continue
+             // solving until we finish
+             double elapsed_solve_time = 0;
+          +  state.SetCustomRateParameter("my photolysis rate", photo_rate);
+
+             while (elapsed_solve_time < time_step)
+             {
+               auto result = solver.Solve(time_step - elapsed_solve_time, state);
+               elapsed_solve_time = result.final_time_;
+               // std::cout << "solver state: " << StateToString(result.state_) << std::endl;
+               state.variables_[0] = result.result_.AsVector();
+             }
+
+             print_state(time_step * (i + 1), state);
+          +   photo_rate *= 10;
+           }
+
+    .. tab:: OpenAtmos Configuration reading
+
+        In this case, you only need to add the configuration to the reactions.json file in the configuration directory.
+        When reading in from a configuration file, the loss, emissions, and photolysis rates are prefixed with
+        ``LOSS.``, ``EMIS.``, and ``PHOTO.``. This differs slightly from defining the API by hand.
+
+
+        .. code-block:: diff
+
+          +double photo_rate = 1e-10;
+          +double emission_rate = 1e-20;
+          +double loss = emission_rate * 1e-3;
+          +// these rates are constant through the simulation
+          +state.SetCustomRateParameter("EMIS.my emission rate", emission_rate);
+          +state.SetCustomRateParameter("LOSS.my loss rate", loss);
+           // solve for ten iterations
+           for (int i = 0; i < 10; ++i)
+           {
+             // Depending on how stiff the system is
+             // the solver integration step may not be able to solve for the full time step
+             // so we need to track how much time the solver was able to integrate for and continue
+             // solving until we finish
+             double elapsed_solve_time = 0;
+          +  state.SetCustomRateParameter("PHOTO.my photolysis rate", photo_rate);
+
+             while (elapsed_solve_time < time_step)
+             {
+               auto result = solver.Solve(time_step - elapsed_solve_time, state);
+               elapsed_solve_time = result.final_time_;
+               // std::cout << "solver state: " << StateToString(result.state_) << std::endl;
+               state.variables_[0] = result.result_.AsVector();
+             }
+
+             print_state(time_step * (i + 1), state);
+          +   photo_rate *= 10;
+           }
+
+And this is final output. Notice that the concentration of G ends up much higher than in 
+the :ref:`Rate constants` tutorial's result.
+
++-------+------------+------------+------------+------------+------------+------------+------------+
+| time  |     A      |     B      |     C      |     D      |     E      |     F      |     G      |
++=======+============+============+============+============+============+============+============+
+|   0   | 1.00e+00   | 0.00e+00   | 0.00e+00   | 0.00e+00   | 0.00e+00   | 0.00e+00   | 0.00e+00   |
++-------+------------+------------+------------+------------+------------+------------+------------+
+|  500  | 3.18e-09   | 3.66e-09   | 9.83e-01   | 3.88e-14   | 1.41e-03   | 2.02e-13   | 7.92e-03   |
++-------+------------+------------+------------+------------+------------+------------+------------+
+| 1000  | 1.14e-14   | 1.31e-14   | 9.66e-01   | 1.39e-19   | 1.40e-03   | 7.24e-19   | 1.64e-02   |
++-------+------------+------------+------------+------------+------------+------------+------------+
+| 1500  | 7.27e-20   | 6.40e-20   | 9.49e-01   | 6.53e-25   | 1.39e-03   | 3.19e-24   | 2.48e-02   |
++-------+------------+------------+------------+------------+------------+------------+------------+
+| 2000  | 3.17e-20   | 1.70e-20   | 9.33e-01   | 1.55e-25   | 1.38e-03   | 5.92e-25   | 3.30e-02   |
++-------+------------+------------+------------+------------+------------+------------+------------+
+| 2500  | 3.17e-20   | 1.70e-20   | 9.16e-01   | 1.55e-25   | 1.37e-03   | 5.92e-25   | 4.16e-02   |
++-------+------------+------------+------------+------------+------------+------------+------------+
+| 3000  | 3.17e-20   | 1.70e-20   | 8.96e-01   | 1.55e-25   | 1.35e-03   | 5.92e-25   | 5.40e-02   |
++-------+------------+------------+------------+------------+------------+------------+------------+
+| 3500  | 3.17e-20   | 1.70e-20   | 8.37e-01   | 1.55e-25   | 1.31e-03   | 5.92e-25   | 1.05e-01   |
++-------+------------+------------+------------+------------+------------+------------+------------+
+| 4000  | 3.17e-20   | 1.70e-20   | 4.99e-01   | 1.55e-25   | 1.02e-03   | 5.92e-25   | 4.38e-01   |
++-------+------------+------------+------------+------------+------------+------------+------------+
+| 4500  | 3.17e-20   | 1.70e-20   | 3.07e-03   | 1.55e-25   | 1.88e-04   | 5.92e-25   | 9.33e-01   |
++-------+------------+------------+------------+------------+------------+------------+------------+
+| 5000  | 3.17e-20   | 1.70e-20   | -3.55e-07  | 1.55e-25   | 7.14e-05   | 5.92e-25   | 9.36e-01   |
++-------+------------+------------+------------+------------+------------+------------+------------+
diff --git a/test/tutorial/CMakeLists.txt b/test/tutorial/CMakeLists.txt
index 430a4e8c5..db4007f65 100644
--- a/test/tutorial/CMakeLists.txt
+++ b/test/tutorial/CMakeLists.txt
@@ -7,9 +7,12 @@ include(test_util)
 # Tests
 
 create_standard_test(NAME README_example SOURCES test_README_example.cpp)
+
 create_standard_test(NAME rate_constants_no_user_defined_example_by_hand SOURCES test_rate_constants_no_user_defined_by_hand.cpp)
+create_standard_test(NAME rate_constants_user_defined_example_by_hand SOURCES test_rate_constants_user_defined_by_hand.cpp)
 if(ENABLE_JSON)
   create_standard_test(NAME rate_constants_no_user_defined_example_with_config SOURCES test_rate_constants_no_user_defined_with_config.cpp)
+  create_standard_test(NAME rate_constants_user_defined_example_with_config SOURCES test_rate_constants_user_defined_with_config.cpp)
 endif()
 
 ################################################################################
diff --git a/test/tutorial/configs/rate_constants_user_defined/reactions.json b/test/tutorial/configs/rate_constants_user_defined/reactions.json
new file mode 100644
index 000000000..efb0f4316
--- /dev/null
+++ b/test/tutorial/configs/rate_constants_user_defined/reactions.json
@@ -0,0 +1,119 @@
+{
+  "camp-data": [
+    {
+      "name": "reaction rates no user defined",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "ARRHENIUS",
+          "reactants": {
+            "A": {}
+          },
+          "products": {
+            "B": {}
+          },
+          "A": 2.15e-1,
+          "B": 0,
+          "C": 110.0
+        },
+        {
+          "type": "BRANCHED",
+          "reactants": {
+            "B": {}
+          },
+          "alkoxy products": {
+            "C": {}
+          },
+          "nitrate products": {
+            "D": {}
+          },
+          "Y": 204.3,
+          "X": 1.2,
+          "a0": 1.0e-3,
+          "n": 2
+        },
+        {
+          "type": "SURFACE",
+          "gas-phase reactant": "C",
+          "gas-phase products": {
+            "E": {
+              "yield": 1.0
+            }
+          },
+          "MUSICA name": "C surface",
+          "reaction probability": 0.90
+        },
+        {
+          "type": "TERNARY_CHEMICAL_ACTIVATION",
+          "reactants": {
+            "D": {}
+          },
+          "products": {
+            "F": {
+              "yield": 2
+            }
+          },
+          "k0_A": 1.2,
+          "k0_B": 2.3,
+          "k0_C": 302.3,
+          "kinf_A": 2.6,
+          "kinf_B": -3.1,
+          "kinf_C": 402.1,
+          "Fc": 0.9,
+          "N": 1.2
+        },
+        {
+          "type": "TROE",
+          "k0_A": 1.2e4,
+          "k0_B": 167.0,
+          "k0_C": 3.0,
+          "kinf_A": 136.0,
+          "kinf_B": 5.0,
+          "kinf_C": 24.0,
+          "Fc": 0.9,
+          "N": 0.8,
+          "reactants": {
+            "E": {
+              "qty": 2
+            }
+          },
+          "products": {
+            "G": {}
+          }
+        },
+        {
+          "type": "TUNNELING",
+          "reactants": {
+            "F": {}
+          },
+          "products": {
+            "G": {}
+          },
+          "A": 1.2,
+          "B": 2.3,
+          "C": 302.3
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "reactants": {
+            "C": {}
+          },
+          "products": {
+            "G": {}
+          },
+          "MUSICA name": "my photolysis rate"
+        },
+        {
+          "type": "FIRST_ORDER_LOSS",
+          "species": "B",
+          "MUSICA name": "my loss rate"
+        },
+        {
+          "type": "EMISSION",
+          "species": "A",
+          "MUSICA name": "my emission rate"
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/tutorial/configs/rate_constants_user_defined/species.json b/test/tutorial/configs/rate_constants_user_defined/species.json
new file mode 100644
index 000000000..5b6c4f171
--- /dev/null
+++ b/test/tutorial/configs/rate_constants_user_defined/species.json
@@ -0,0 +1,34 @@
+{
+  "camp-data": [
+    {
+      "name": "A",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "B",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "C",
+      "type": "CHEM_SPEC",
+      "molecular weight [kg mol-1]" : 0.025,
+      "diffusion coefficient [m2 s-1]" : 2.3e2
+    },
+    {
+      "name": "D",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "E",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "F",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "G",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/tutorial/test_rate_constants_user_defined_by_hand.cpp b/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
new file mode 100644
index 000000000..9bd45dd0b
--- /dev/null
+++ b/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
@@ -0,0 +1,211 @@
+#include <iomanip>
+#include <iostream>
+#include <map>
+
+// Each rate constant is in its own header file
+#include <micm/process/arrhenius_rate_constant.hpp>
+#include <micm/process/branched_rate_constant.hpp>
+#include <micm/process/surface_rate_constant.hpp>
+#include <micm/process/ternary_chemical_activation_rate_constant.hpp>
+#include <micm/process/troe_rate_constant.hpp>
+#include <micm/process/tunneling_rate_constant.hpp>
+#include <micm/process/user_defined_rate_constant.hpp>
+#include <micm/solver/rosenbrock.hpp>
+
+// Use our namespace so that this example is easier to read
+using namespace micm;
+
+// The Rosenbrock solver can use many matrix ordering types
+// Here, we use the default ordering, but we still need to provide a templated
+// Arguent to the solver so it can use the proper ordering with any data type
+template<class T>
+using SparseMatrixPolicy = SparseMatrix<T>;
+
+void print_header()
+{
+  std::cout << std::setw(5) << "time"
+            << "," << std::setw(11) << "A"
+            << "," << std::setw(10) << "B"
+            << "," << std::setw(10) << "C"
+            << "," << std::setw(10) << "D"
+            << "," << std::setw(10) << "E"
+            << "," << std::setw(10) << "F"
+            << "," << std::setw(10) << "G" << std::endl;
+}
+
+template<template<class> class T>
+void print_state(double time, State<T>& state)
+{
+  std::ios oldState(nullptr);
+  oldState.copyfmt(std::cout);
+
+  std::cout << std::setw(5) << time << ", " << std::flush;
+
+  std::cout << std::scientific << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["A"]]
+            << "," << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["B"]] << ","
+            << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["C"]] << "," << std::setw(10)
+            << std::setprecision(2) << state.variables_[0][state.variable_map_["D"]] << "," << std::setw(10)
+            << std::setprecision(2) << state.variables_[0][state.variable_map_["E"]] << "," << std::setw(10)
+            << std::setprecision(2) << state.variables_[0][state.variable_map_["F"]] << "," << std::setw(10)
+            << std::setprecision(2) << state.variables_[0][state.variable_map_["G"]] << std::endl;
+
+  std::cout.copyfmt(oldState);
+}
+
+int main(const int argc, const char* argv[])
+{
+  auto a = Species("A");
+  auto b = Species("B");
+  auto c = Species(
+      "C",
+      std::map<std::string, double>{ { "molecular weight [kg mol-1]", 0.025 },
+                                     { "diffusion coefficient [m2 s-1]", 2.3e2 } });
+  auto d = Species("D");
+  auto e = Species("E");
+  auto f = Species("F");
+  auto g = Species("G");
+
+  Phase gas_phase{ std::vector<Species>{ a, b, c, d, e, f, g } };
+
+  Process r1 = Process::create()
+                   .reactants({ a })
+                   .products({ yields(b, 1) })
+                   .rate_constant(ArrheniusRateConstant({ .A_ = 2.15e-1, .B_ = 0, .C_ = 110 }))
+                   .phase(gas_phase);
+
+  // a branched reaction has two output pathways
+  // this is represnted internal to micm as two different reactions
+  auto branched_params = BranchedRateConstantParameters{ .X_ = 1.2, .Y_ = 204.3, .a0_ = 1.0e-3, .n_ = 2 };
+  branched_params.branch_ = BranchedRateConstantParameters::Branch::Alkoxy;
+
+  Process r2 = Process::create()
+                   .reactants({ b })
+                   .products({ yields(c, 1) })
+                   .rate_constant(BranchedRateConstant(branched_params))
+                   .phase(gas_phase);
+
+  branched_params.branch_ = BranchedRateConstantParameters::Branch::Nitrate;
+  Process r3 = Process::create()
+                   .reactants({ b })
+                   .products({ yields(d, 1) })
+                   .rate_constant(BranchedRateConstant(branched_params))
+                   .phase(gas_phase);
+
+  // A surface rate constant also needs to know the effective radius and particle number concentration
+  // we will set those later
+  Process r4 = Process::create()
+                   .reactants({ c })
+                   .products({ yields(e, 1) })
+                   .rate_constant(SurfaceRateConstant({ .label_ = "C", .species_ = c, .reaction_probability_ = 0.90 }))
+                   .phase(gas_phase);
+
+  Process r5 = Process::create()
+                   .reactants({ d })
+                   .products({ yields(f, 2) })
+                   .rate_constant(TernaryChemicalActivationRateConstant({ .k0_A_ = 1.2,
+                                                                          .k0_B_ = 2.3,
+                                                                          .k0_C_ = 302.3,
+                                                                          .kinf_A_ = 2.6,
+                                                                          .kinf_B_ = -3.1,
+                                                                          .kinf_C_ = 402.1,
+                                                                          .Fc_ = 0.9,
+                                                                          .N_ = 1.2 }))
+                   .phase(gas_phase);
+
+  // to have a stoichiemetric coefficient of more than one for reactants,
+  // list the reactant that many times
+  Process r6 = Process::create()
+                   .reactants({ e, e })
+                   .products({ yields(g, 1) })
+                   .rate_constant(TroeRateConstant({ .k0_A_ = 1.2e4,
+                                                     .k0_B_ = 167.0,
+                                                     .k0_C_ = 3.0,
+                                                     .kinf_A_ = 136.0,
+                                                     .kinf_B_ = 5.0,
+                                                     .kinf_C_ = 24.0,
+                                                     .Fc_ = 0.9,
+                                                     .N_ = 0.8 }))
+                   .phase(gas_phase);
+
+  Process r7 = Process::create()
+                   .reactants({ f })
+                   .products({ yields(g, 1) })
+                   .rate_constant(TunnelingRateConstant({ .A_ = 1.2, .B_ = 2.3, .C_ = 302.3 }))
+                   .phase(gas_phase);
+
+  Process r8 = Process::create()
+                   .reactants({ c })
+                   .products({ yields(g, 1) })
+                   .rate_constant(UserDefinedRateConstant({.label_="my photolysis rate"}))
+                   .phase(gas_phase);
+
+  Process r9 = Process::create()
+                   .products({ yields(a, 1) })
+                   .rate_constant(UserDefinedRateConstant({.label_="my emission rate"}))
+                   .phase(gas_phase);
+
+  Process r10 = Process::create()
+                   .reactants({ b })
+                   .rate_constant(UserDefinedRateConstant({.label_="my loss rate"}))
+                   .phase(gas_phase);
+
+  auto chemical_system = System(micm::SystemParameters{ .gas_phase_ = gas_phase });
+  auto reactions = std::vector<micm::Process>{ r1, r2, r3, r4, r5, r6, r7, r8, r9, r10 };
+
+  RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{ chemical_system,
+                                                       reactions,
+                                                       RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+  State state = solver.GetState();
+
+  state.conditions_[0].temperature_ = 287.45;  // K
+  state.conditions_[0].pressure_ = 101319.9;   // Pa
+
+  state.SetConcentration(a, 1.0);  // mol m-3
+  state.SetConcentration(b, 0.0);  // mol m-3
+  state.SetConcentration(c, 0.0);  // mol m-3
+  state.SetConcentration(d, 0.0);  // mol m-3
+  state.SetConcentration(e, 0.0);  // mol m-3
+  state.SetConcentration(f, 0.0);  // mol m-3
+  state.SetConcentration(g, 0.0);  // mol m-3
+
+  state.SetCustomRateParameter("C.effective radius [m]", 1e-7);
+  state.SetCustomRateParameter("C.particle number concentration [# m-3]", 2.5e6);
+
+
+  // choose and timestep a print the initial state
+  double time_step = 500;  // s
+
+  print_header();
+  print_state(0, state);
+
+  double photo_rate = 1e-10;
+  double emission_rate = 1e-20;
+  double loss = emission_rate * 1e-3;
+  // these rates are constant through the simulation
+  state.SetCustomRateParameter("my emission rate", emission_rate);
+  state.SetCustomRateParameter("my loss rate", loss);
+
+  // solve for ten iterations
+  for (int i = 0; i < 10; ++i)
+  {
+    // Depending on how stiff the system is
+    // the solver integration step may not be able to solve for the full time step
+    // so we need to track how much time the solver was able to integrate for and continue
+    // solving until we finish
+    double elapsed_solve_time = 0;
+    state.SetCustomRateParameter("my photolysis rate", photo_rate);
+
+    while (elapsed_solve_time < time_step)
+    {
+      auto result = solver.Solve(time_step - elapsed_solve_time, state);
+      elapsed_solve_time = result.final_time_;
+      // std::cout << "solver state: " << StateToString(result.state_) << std::endl;
+      state.variables_[0] = result.result_.AsVector();
+    }
+
+    print_state(time_step * (i + 1), state);
+    photo_rate *= 10;
+  }
+
+  return 0;
+}
diff --git a/test/tutorial/test_rate_constants_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_user_defined_with_config.cpp
new file mode 100644
index 000000000..a14f7432d
--- /dev/null
+++ b/test/tutorial/test_rate_constants_user_defined_with_config.cpp
@@ -0,0 +1,131 @@
+#include <iomanip>
+#include <iostream>
+#include <map>
+
+// Each rate constant is in its own header file
+#include <micm/configure/solver_config.hpp>
+#include <micm/process/arrhenius_rate_constant.hpp>
+#include <micm/process/branched_rate_constant.hpp>
+#include <micm/process/surface_rate_constant.hpp>
+#include <micm/process/ternary_chemical_activation_rate_constant.hpp>
+#include <micm/process/troe_rate_constant.hpp>
+#include <micm/process/tunneling_rate_constant.hpp>
+#include <micm/solver/rosenbrock.hpp>
+
+// Use our namespace so that this example is easier to read
+using namespace micm;
+
+// The Rosenbrock solver can use many matrix ordering types
+// Here, we use the default ordering, but we still need to provide a templated
+// Arguent to the solver so it can use the proper ordering with any data type
+template<class T>
+using SparseMatrixPolicy = SparseMatrix<T>;
+
+void print_header()
+{
+  std::cout << std::setw(5) << "time"
+            << "," << std::setw(10) << "A"
+            << "," << std::setw(9) << "B"
+            << "," << std::setw(9) << "C"
+            << "," << std::setw(9) << "D"
+            << "," << std::setw(9) << "E"
+            << "," << std::setw(9) << "F"
+            << "," << std::setw(10) << "G" << std::endl;
+}
+
+template<template<class> class T>
+void print_state(double time, State<T>& state)
+{
+  std::ios oldState(nullptr);
+  oldState.copyfmt(std::cout);
+
+  std::cout << std::setw(5) << time << ", " << std::flush;
+
+  std::cout << std::scientific << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["A"]]
+            << "," << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["B"]] << ","
+            << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["C"]] << "," << std::setw(10)
+            << std::setprecision(2) << state.variables_[0][state.variable_map_["D"]] << "," << std::setw(10)
+            << std::setprecision(2) << state.variables_[0][state.variable_map_["E"]] << "," << std::setw(10)
+            << std::setprecision(2) << state.variables_[0][state.variable_map_["F"]] << "," << std::setw(10)
+            << std::setprecision(2) << state.variables_[0][state.variable_map_["G"]] << std::endl;
+
+  std::cout.copyfmt(oldState);
+}
+
+int main(const int argc, const char* argv[])
+{
+  SolverConfig solverConfig;
+
+  std::string config_path = "./configs/rate_constants_user_defined";
+  ConfigParseStatus status = solverConfig.ReadAndParse(config_path);
+  if (status != micm::ConfigParseStatus::Success)
+  {
+    throw "Parsing failed";
+  }
+
+  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
+
+  auto chemical_system = solver_params.system_;
+  auto reactions = solver_params.processes_;
+
+  RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{ chemical_system,
+                                                       reactions,
+                                                       RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+
+  State state = solver.GetState();
+
+  state.conditions_[0].temperature_ = 287.45;  // K
+  state.conditions_[0].pressure_ = 101319.9;   // Pa
+
+  std::unordered_map<std::string, std::vector<double>> intial_concentration = {
+    { "A", { 1.0 } },  // mol m-3
+    { "B", { 0.0 } },  // mol m-3
+    { "C", { 0.0 } },  // mol m-3
+    { "D", { 0.0 } },  // mol m-3
+    { "E", { 0.0 } },  // mol m-3
+    { "F", { 0.0 } },  // mol m-3
+    { "G", { 0.0 } },  // mol m-3
+  };
+
+  state.SetConcentrations(solver_params.system_, intial_concentration);
+
+  state.SetCustomRateParameter("SURF.C surface.effective radius [m]", 1e-7);
+  state.SetCustomRateParameter("SURF.C surface.particle number concentration [# m-3]", 2.5e6);
+
+  // choose a timestep a print the initial state
+  double time_step = 500;  // s
+
+  print_header();
+  print_state(0, state);
+
+  double photo_rate = 1e-10;
+  double emission_rate = 1e-20;
+  double loss = emission_rate * 1e-3;
+  // these rates are constant through the simulation
+  state.SetCustomRateParameter("EMIS.my emission rate", emission_rate);
+  state.SetCustomRateParameter("LOSS.my loss rate", loss);
+
+  // solve for ten iterations
+  for (int i = 0; i < 10; ++i)
+  {
+    // Depending on how stiff the system is
+    // the solver integration step may not be able to solve for the full time step
+    // so we need to track how much time the solver was able to integrate for and continue
+    // solving until we finish
+    double elapsed_solve_time = 0;
+    state.SetCustomRateParameter("PHOTO.my photolysis rate", photo_rate);
+
+    while (elapsed_solve_time < time_step)
+    {
+      auto result = solver.Solve(time_step - elapsed_solve_time, state);
+      elapsed_solve_time = result.final_time_;
+      // std::cout << "solver state: " << StateToString(result.state_) << std::endl;
+      state.variables_[0] = result.result_.AsVector();
+    }
+
+    print_state(time_step * (i + 1), state);
+    photo_rate *= 10;
+  }
+
+  return 0;
+}
\ No newline at end of file

From 876883fdc228e7b5b28d0ec10cdcc9e4cb7e5331 Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Sat, 23 Sep 2023 08:45:25 -0600
Subject: [PATCH 019/318] Added unit test json for CAMP config parsing.

---
 .../unit_configs/camp/camp_mechanism.json     | 134 ++++++++++++++++++
 test/unit/unit_configs/camp/camp_species.json |  53 +++++++
 test/unit/unit_configs/camp/config.json       |   2 +-
 3 files changed, 188 insertions(+), 1 deletion(-)
 create mode 100644 test/unit/unit_configs/camp/camp_mechanism.json
 create mode 100644 test/unit/unit_configs/camp/camp_species.json

diff --git a/test/unit/unit_configs/camp/camp_mechanism.json b/test/unit/unit_configs/camp/camp_mechanism.json
new file mode 100644
index 000000000..a0da29deb
--- /dev/null
+++ b/test/unit/unit_configs/camp/camp_mechanism.json
@@ -0,0 +1,134 @@
+{
+  "camp-data" : [
+    {
+      "name" : "Chapman",
+      "type" : "MECHANISM",
+      "reactions" : [
+        {
+          "type" : "PHOTOLYSIS",
+          "reactants" : {
+            "O2" : { }
+          },
+          "products" : {
+            "O" : { "yield" : 2.0 }
+          },
+          "MUSICA name" : "O2_1"
+        },
+        {
+          "type" : "PHOTOLYSIS",
+          "reactants" : {
+            "O3" : { }
+          },
+          "products" : {
+            "O1D" : { },
+            "O2" : { }
+          },
+          "MUSICA name" : "O3_1"
+        },
+        {
+          "type" : "PHOTOLYSIS",
+          "reactants" : {
+            "O3" : { }
+          },
+          "products" : {
+            "O" : { },
+            "O2" : { }
+          },
+          "MUSICA name" : "O3_2"
+        },
+        {
+          "type" : "ARRHENIUS",
+          "reactants" : {
+            "O1D" : { },
+            "N2" : { }
+          },
+          "products" : {
+            "O" : { },
+            "N2" : { }
+          },
+          "A" : 2.15e-11,
+          "C" : 110.0
+        },
+        {
+          "type" : "ARRHENIUS",
+          "reactants" : {
+            "O1D" : { },
+            "O2" : { }
+          },
+          "products" : {
+            "O" : { },
+            "O2" : { }
+          },
+          "A" : 3.3e-11,
+          "C" : 55.0
+        },
+        {
+          "type" : "ARRHENIUS",
+          "reactants" : {
+            "O" : { },
+            "O3" : { }
+          },
+          "products" : {
+            "O2" : { "yield" : 2.0 }
+          },
+          "A" : 8.0e-12,
+          "C" : -2060.00
+        },
+        {
+          "type" : "ARRHENIUS",
+          "reactants" : {
+            "O" : { },
+            "O2" : { },
+            "M" : { }
+          },
+          "products" : {
+            "O3" : { },
+            "M" : { }
+          },
+          "A" : 6.0e-34,
+          "B" : 2.4
+        },
+        {
+          "type" : "EMISSION",
+          "species" : "O1D",
+          "MUSICA name" : "O1D"
+        },
+        {
+          "type" : "EMISSION",
+          "species" : "O",
+          "MUSICA name" : "O"
+        },
+        {
+          "type" : "EMISSION",
+          "species" : "O3",
+          "MUSICA name" : "O3"
+        },
+        {
+          "type" : "FIRST_ORDER_LOSS",
+          "species" : "N2",
+          "MUSICA name" : "N2"
+        },
+        {
+          "type" : "FIRST_ORDER_LOSS",
+          "species" : "O2",
+          "MUSICA name" : "O2"
+        },
+        {
+          "type" : "FIRST_ORDER_LOSS",
+          "species" : "CO2",
+          "MUSICA name" : "CO2"
+        },
+        {
+          "type" : "FIRST_ORDER_LOSS",
+          "species" : "Ar",
+          "MUSICA name" : "Ar"
+        },
+        {
+          "type" : "FIRST_ORDER_LOSS",
+          "species" : "H2O",
+          "MUSICA name" : "H2O"
+        }
+      ]
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/camp/camp_species.json b/test/unit/unit_configs/camp/camp_species.json
new file mode 100644
index 000000000..75fc517ac
--- /dev/null
+++ b/test/unit/unit_configs/camp/camp_species.json
@@ -0,0 +1,53 @@
+{
+  "camp-data" : [
+    {
+      "type" : "RELATIVE_TOLERANCE",
+      "value" : 1.0e-4
+    },
+    {
+      "name" : "M",
+      "type" : "CHEM_SPEC",
+      "tracer type" : "CONSTANT"
+    },
+    {
+      "name" : "Ar",
+      "type" : "CHEM_SPEC",
+      "absolute tolerance" : 1.0e-12
+    },
+    {
+      "name" : "CO2",
+      "type" : "CHEM_SPEC",
+      "absolute tolerance" : 1.0e-12
+    },
+    {
+      "name" : "H2O",
+      "type" : "CHEM_SPEC",
+      "absolute tolerance" : 1.0e-12
+    },
+    {
+      "name" : "N2",
+      "type" : "CHEM_SPEC",
+      "absolute tolerance" : 1.0e-12
+    },
+    {
+      "name" : "O1D",
+      "type" : "CHEM_SPEC",
+      "absolute tolerance" : 1.0e-12
+    },
+    {
+      "name" : "O",
+      "type" : "CHEM_SPEC",
+      "absolute tolerance" : 1.0e-12
+    },
+    {
+      "name" : "O2",
+      "type" : "CHEM_SPEC",
+      "absolute tolerance" : 1.0e-12
+    },
+    {
+      "name" : "O3",
+      "type" : "CHEM_SPEC",
+      "absolute tolerance" : 1.0e-12
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/camp/config.json b/test/unit/unit_configs/camp/config.json
index 61165b00d..352880268 100644
--- a/test/unit/unit_configs/camp/config.json
+++ b/test/unit/unit_configs/camp/config.json
@@ -1 +1 @@
-{"camp-files": ["species.json", "reactions.json"]}
+{"camp-files": ["camp_species.json", "camp_reactions.json"]}

From 6a31f588e34e819d76450cc61872199f2b11b02d Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Sat, 23 Sep 2023 08:56:35 -0600
Subject: [PATCH 020/318] Use camp_mechanism.json for reactions.

---
 test/unit/unit_configs/camp/config.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/test/unit/unit_configs/camp/config.json b/test/unit/unit_configs/camp/config.json
index 352880268..95836f060 100644
--- a/test/unit/unit_configs/camp/config.json
+++ b/test/unit/unit_configs/camp/config.json
@@ -1 +1 @@
-{"camp-files": ["camp_species.json", "camp_reactions.json"]}
+{"camp-files": ["camp_species.json", "camp_mechanism.json"]}

From 19496a6c2d373c82b9d8d8436add66a21d97b905 Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Sat, 23 Sep 2023 08:57:09 -0600
Subject: [PATCH 021/318] Prepend config dir to files in CAMP list.

---
 include/micm/configure/solver_config.hpp | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 29096098a..06d6b9e1d 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -144,11 +144,11 @@ namespace micm
           camp_files.push_back(element.get<std::string>());
         }
         // Temporary, for development purposes, assume camp files are ordered
-        species_config = camp_files[0];
-        reactions_config = camp_files[1];
+        species_config = config_dir / camp_files[0];
+        reactions_config = config_dir / camp_files[1];
       }
 
-      // Current reaction configs should be either mechanism_config or reactions config
+      // Current reaction configs should be either mechanism_config or reactions_config
       std::filesystem::path cur_reactions_config;
 
       // Check if species config exists

From 9b1d4554b94559f7cbbbd97945d52d951fee7223 Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Sun, 24 Sep 2023 13:31:24 -0600
Subject: [PATCH 022/318] Return ConfigParseStatus::InvalidCAMPFileCount if
 camp_files size is not 2.

---
 include/micm/configure/solver_config.hpp | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 06d6b9e1d..52cfea9d2 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -35,6 +35,7 @@ namespace micm
     UnknownKey,
     InvalidSpecies,
     CAMPFilesSectionNotFound,
+    InvalidCAMPFileCount,
     CAMPDataSectionNotFound,
     InvalidMechanism,
     ObjectTypeNotFound,
@@ -53,6 +54,7 @@ namespace micm
       case ConfigParseStatus::UnknownKey: return "UnknownKey";
       case ConfigParseStatus::InvalidSpecies: return "InvalidSpecies";
       case ConfigParseStatus::CAMPFilesSectionNotFound: return "CAMPFilesSectionNotFound";
+      case ConfigParseStatus::InvalidCAMPFileCount: return "InvalidCAMPFileCount";
       case ConfigParseStatus::CAMPDataSectionNotFound: return "CAMPDataSectionNotFound";
       case ConfigParseStatus::InvalidMechanism: return "InvalidMechanism";
       case ConfigParseStatus::ObjectTypeNotFound: return "ObjectTypeNotFound";
@@ -126,6 +128,7 @@ namespace micm
       std::filesystem::path species_config(config_dir / SPECIES_CONFIG);
       std::filesystem::path mechanism_config(config_dir / MECHANISM_CONFIG);
       std::filesystem::path reactions_config(config_dir / REACTIONS_CONFIG);
+      // Note tolerance_config is defined here but not used
       std::filesystem::path tolerance_config(config_dir / TOLERANCE_CONFIG);
 
       // Look for CAMP config file
@@ -143,6 +146,10 @@ namespace micm
           std::cout << element.get<std::string>() << std::endl;
           camp_files.push_back(element.get<std::string>());
         }
+        if (camp_files.size() != 2) {
+          return ConfigParseStatus::InvalidCAMPFileCount;
+        }
+
         // Temporary, for development purposes, assume camp files are ordered
         species_config = config_dir / camp_files[0];
         reactions_config = config_dir / camp_files[1];

From e1d9aec6171b8091d1a8bca01e993f4a9b48f5c9 Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Sun, 24 Sep 2023 13:51:27 -0600
Subject: [PATCH 023/318] Added unit test for InvalidCAMPFileCount.

---
 include/micm/configure/solver_config.hpp        | 7 ++++---
 test/unit/configure/test_solver_config.cpp      | 9 +++++++++
 test/unit/unit_configs/camp_invalid/config.json | 1 +
 3 files changed, 14 insertions(+), 3 deletions(-)
 create mode 100644 test/unit/unit_configs/camp_invalid/config.json

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 52cfea9d2..65482794e 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -147,12 +147,13 @@ namespace micm
           camp_files.push_back(element.get<std::string>());
         }
         if (camp_files.size() != 2) {
+          std::string err_msg = "CAMP file list should contain two files [species.json, mechanism.json]";
+          std::cerr << err_msg << std::endl;
           return ConfigParseStatus::InvalidCAMPFileCount;
         }
-
-        // Temporary, for development purposes, assume camp files are ordered
+        // As a temporary implementation, assume camp files are ordered
         species_config = config_dir / camp_files[0];
-        reactions_config = config_dir / camp_files[1];
+        mechanism_config = config_dir / camp_files[1];
       }
 
       // Current reaction configs should be either mechanism_config or reactions_config
diff --git a/test/unit/configure/test_solver_config.cpp b/test/unit/configure/test_solver_config.cpp
index c5b4d3c8b..ca07312f0 100644
--- a/test/unit/configure/test_solver_config.cpp
+++ b/test/unit/configure/test_solver_config.cpp
@@ -18,6 +18,15 @@ TEST(SolverConfig, ReadAndParseCAMPFiles)
   EXPECT_EQ(micm::ConfigParseStatus::Success, status);
 }
 
+TEST(SolverConfig, DetectsInvalideCAMPFileCount)
+{
+  micm::SolverConfig solverConfig{};
+
+  // Read and parse the CAMP configure file
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/camp_invalid");
+  EXPECT_EQ(micm::ConfigParseStatus::InvalidCAMPFileCount, status);
+}
+
 TEST(SolverConfig, ReadAndParseSystemObject)
 {
   micm::SolverConfig solverConfig;
diff --git a/test/unit/unit_configs/camp_invalid/config.json b/test/unit/unit_configs/camp_invalid/config.json
new file mode 100644
index 000000000..d8250971c
--- /dev/null
+++ b/test/unit/unit_configs/camp_invalid/config.json
@@ -0,0 +1 @@
+{"camp-files": ["camp_species.json", "camp_mechanism.json", "other.json"]}

From 89ebafe002d603fbdafb42cc10b730ff350dba85 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Mon, 25 Sep 2023 13:53:30 -0700
Subject: [PATCH 024/318] README updates (#252)

Update README.md

Adds a clarification of sphinx dependencies, and instructions for building the latest commit on main with Docker
---
 README.md | 17 ++++++++++++++---
 1 file changed, 14 insertions(+), 3 deletions(-)

diff --git a/README.md b/README.md
index fbd0abddb..869659c10 100644
--- a/README.md
+++ b/README.md
@@ -12,14 +12,14 @@ Copyright (C) 2018-2023 National Center for Atmospheric Research
 # Getting Started
 
 ## Installing MICM locally
-To build and install MICM locally, you must have the following libraries installed:
+To build and install MICM locally, you must have CMake installed on your machine.
+If you plan to build the documentation, you must also have:
 
 - [sphinx](https://github.com/sphinx-doc/sphinx)
 - [sphinx-book-theme](https://github.com/executablebooks/sphinx-book-theme)
 - [sphinx-design](https://github.com/executablebooks/sphinx-design)
 - [breathe](https://github.com/breathe-doc/breathe)
 
-You must also have CMake installed on your machine. 
 
 Open a terminal window, navigate to a folder where you would like the MICM files to exist,
 and run the following commands:
@@ -44,12 +44,23 @@ If you would later like to uninstall MICM, you can run
 
 ## Running a MICM Docker container
 
-You must have [Docker Desktop](https://www.docker.com/get-started) installed and running. With Docker Desktop running, open a terminal window and run the following command to start the MICM container:
+You must have [Docker Desktop](https://www.docker.com/get-started) installed and running.
+With Docker Desktop running, open a terminal window.
+To build the latest MICM release, run the following command to start the MICM container:
 
 ```
 docker run -it ghcr.io/ncar/micm:release bash
 ```
 
+To build the latest pre-release version of MICM, instead run:
+
+```
+git clone https://github.com/NCAR/micm.git
+cd micm
+docker build -t micm .
+docker run -it micm bash
+```
+
 Inside the container, you can run the MICM tests from the `/build/` folder:
 
 ```

From 375a5ab57a59a2c8e7538323ae5ace6365f36bf9 Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Mon, 25 Sep 2023 15:20:08 -0600
Subject: [PATCH 025/318] Added unit_configs/CAMP subdir.

---
 test/unit/unit_configs/{ => CAMP}/camp_invalid/config.json        | 0
 .../unit_configs/{camp => CAMP/camp_valid}/camp_mechanism.json    | 0
 .../unit/unit_configs/{camp => CAMP/camp_valid}/camp_species.json | 0
 test/unit/unit_configs/{camp => CAMP/camp_valid}/config.json      | 0
 4 files changed, 0 insertions(+), 0 deletions(-)
 rename test/unit/unit_configs/{ => CAMP}/camp_invalid/config.json (100%)
 rename test/unit/unit_configs/{camp => CAMP/camp_valid}/camp_mechanism.json (100%)
 rename test/unit/unit_configs/{camp => CAMP/camp_valid}/camp_species.json (100%)
 rename test/unit/unit_configs/{camp => CAMP/camp_valid}/config.json (100%)

diff --git a/test/unit/unit_configs/camp_invalid/config.json b/test/unit/unit_configs/CAMP/camp_invalid/config.json
similarity index 100%
rename from test/unit/unit_configs/camp_invalid/config.json
rename to test/unit/unit_configs/CAMP/camp_invalid/config.json
diff --git a/test/unit/unit_configs/camp/camp_mechanism.json b/test/unit/unit_configs/CAMP/camp_valid/camp_mechanism.json
similarity index 100%
rename from test/unit/unit_configs/camp/camp_mechanism.json
rename to test/unit/unit_configs/CAMP/camp_valid/camp_mechanism.json
diff --git a/test/unit/unit_configs/camp/camp_species.json b/test/unit/unit_configs/CAMP/camp_valid/camp_species.json
similarity index 100%
rename from test/unit/unit_configs/camp/camp_species.json
rename to test/unit/unit_configs/CAMP/camp_valid/camp_species.json
diff --git a/test/unit/unit_configs/camp/config.json b/test/unit/unit_configs/CAMP/camp_valid/config.json
similarity index 100%
rename from test/unit/unit_configs/camp/config.json
rename to test/unit/unit_configs/CAMP/camp_valid/config.json

From e2b2ce6cc1d3d8297d8ac2f00d32c9c9224a69db Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Mon, 25 Sep 2023 15:59:15 -0600
Subject: [PATCH 026/318] Created CAMP unit_config subdir.

---
 test/unit/configure/test_solver_config.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/test/unit/configure/test_solver_config.cpp b/test/unit/configure/test_solver_config.cpp
index ca07312f0..663b3eddd 100644
--- a/test/unit/configure/test_solver_config.cpp
+++ b/test/unit/configure/test_solver_config.cpp
@@ -14,7 +14,7 @@ TEST(SolverConfig, ReadAndParseCAMPFiles)
   micm::SolverConfig solverConfig{};
 
   // Read and parse the CAMP configure file
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/camp");
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_valid");
   EXPECT_EQ(micm::ConfigParseStatus::Success, status);
 }
 
@@ -23,7 +23,7 @@ TEST(SolverConfig, DetectsInvalideCAMPFileCount)
   micm::SolverConfig solverConfig{};
 
   // Read and parse the CAMP configure file
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/camp_invalid");
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_invalid");
   EXPECT_EQ(micm::ConfigParseStatus::InvalidCAMPFileCount, status);
 }
 

From be6bb53a9dd7b6a8a439f897f922d8ddb4c9be74 Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Mon, 25 Sep 2023 17:12:15 -0600
Subject: [PATCH 027/318] Added unit test for NoCAMPFilesSectionFound.

---
 test/unit/configure/test_solver_config.cpp                | 8 ++++++--
 test/unit/unit_configs/CAMP/camp_no_files_key/config.json | 1 +
 2 files changed, 7 insertions(+), 2 deletions(-)
 create mode 100644 test/unit/unit_configs/CAMP/camp_no_files_key/config.json

diff --git a/test/unit/configure/test_solver_config.cpp b/test/unit/configure/test_solver_config.cpp
index 663b3eddd..c9e5b7e4d 100644
--- a/test/unit/configure/test_solver_config.cpp
+++ b/test/unit/configure/test_solver_config.cpp
@@ -18,13 +18,17 @@ TEST(SolverConfig, ReadAndParseCAMPFiles)
   EXPECT_EQ(micm::ConfigParseStatus::Success, status);
 }
 
-TEST(SolverConfig, DetectsInvalideCAMPFileCount)
+TEST(SolverConfig, DetectsInvalidCAMPConfigFile)
 {
   micm::SolverConfig solverConfig{};
 
   // Read and parse the CAMP configure file
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_invalid");
+  micm::ConfigParseStatus status;
+  status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_invalid");
   EXPECT_EQ(micm::ConfigParseStatus::InvalidCAMPFileCount, status);
+
+  status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_no_files_key");
+  EXPECT_EQ(micm::ConfigParseStatus::CAMPFilesSectionNotFound, status);
 }
 
 TEST(SolverConfig, ReadAndParseSystemObject)
diff --git a/test/unit/unit_configs/CAMP/camp_no_files_key/config.json b/test/unit/unit_configs/CAMP/camp_no_files_key/config.json
new file mode 100644
index 000000000..134d5a852
--- /dev/null
+++ b/test/unit/unit_configs/CAMP/camp_no_files_key/config.json
@@ -0,0 +1 @@
+{"wrong-key": ["camp_species.json", "camp_mechanism.json"]}

From 0acf911d31f2cfe5a6bed521bc37dc8b3f7d4a2f Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Tue, 26 Sep 2023 15:31:45 +0000
Subject: [PATCH 028/318] Commented out some stdout prints in
 solver_config.hpp.

---
 include/micm/configure/solver_config.hpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 65482794e..3882f91ee 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -135,7 +135,7 @@ namespace micm
       std::filesystem::path camp_config(config_dir / CAMP_CONFIG);
       if (std::filesystem::exists(camp_config))
       {
-        std::cout << "Reading CAMP config " << camp_config << std::endl;
+        // std::cout << "Reading CAMP config " << camp_config << std::endl;
         json camp_data = json::parse(std::ifstream(camp_config));
         if (!camp_data.contains(CAMP_FILES))
           return ConfigParseStatus::CAMPFilesSectionNotFound;
@@ -143,7 +143,7 @@ namespace micm
         std::vector<std::string> camp_files;
         for (const auto& element : camp_data[CAMP_FILES])
         {
-          std::cout << element.get<std::string>() << std::endl;
+          // std::cout << element.get<std::string>() << std::endl;
           camp_files.push_back(element.get<std::string>());
         }
         if (camp_files.size() != 2) {

From 20dccce68af01f978ee17795d14d41fdab938329 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 26 Sep 2023 10:38:05 -0500
Subject: [PATCH 029/318] removing template alias, correcting table output?

---
 .../user_guide/rate_constant_tutorial.rst     | 42 +++++++++----------
 ...rate_constants_no_user_defined_by_hand.cpp | 10 +----
 ..._constants_no_user_defined_with_config.cpp | 10 +----
 3 files changed, 23 insertions(+), 39 deletions(-)

diff --git a/docs/source/user_guide/rate_constant_tutorial.rst b/docs/source/user_guide/rate_constant_tutorial.rst
index 4fed39121..716d7ad94 100644
--- a/docs/source/user_guide/rate_constant_tutorial.rst
+++ b/docs/source/user_guide/rate_constant_tutorial.rst
@@ -67,14 +67,14 @@ rosenbrock solver at the top of the file.
 
   .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
     :language: cpp
-    :lines: 1-13
+    :lines: 1-12
 
 After that, we'll use the ``micm`` namespace and setup a template alias so that we can instantiate the 
 rosenbrock solver.
 
   .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
     :language: cpp
-    :lines: 15-22
+    :lines: 14-15
 
 To create a :cpp:class:`micm::RosenbrockSolver`, we have to define a chemical system (:cpp:class:`micm::System`)
 and our reactions, which will be a vector of :cpp:class:`micm::Process` We will use the species to define these.
@@ -89,7 +89,7 @@ and our reactions, which will be a vector of :cpp:class:`micm::Process` We will
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
           :language: cpp
-          :lines: 56-67
+          :lines: 50-61
 
         Now that we have a gas phase and our species, we can start building the reactions. Two things to note are that
         stoichiemtric coefficients for reactants are represented by repeating that product as many times as you need.
@@ -98,13 +98,13 @@ and our reactions, which will be a vector of :cpp:class:`micm::Process` We will
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
           :language: cpp
-          :lines: 69-133
+          :lines: 63-127
         
         And finally we define our chemical system and reactions
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
           :language: cpp
-          :lines: 135-136
+          :lines: 129-130
 
     .. tab:: OpenAtmos Configuration reading
 
@@ -113,7 +113,7 @@ and our reactions, which will be a vector of :cpp:class:`micm::Process` We will
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
           :language: cpp
-          :lines: 57-69
+          :lines: 51-60
 
 Now that we have a chemical system and a list of reactions, we can create the RosenbrockSolver.
 There are several ways to configure the solver. Here we are using a three stage solver. More options
@@ -121,7 +121,7 @@ can be found in the :cpp:class:`micm::RosenbrockSolverParameters`
 
   .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
     :language: cpp
-    :lines: 138-140
+    :lines: 132-132
 
 The rosenbrock solver will provide us a state, which we can use to set the concentrations,
 custom rate parameters, and temperature and pressure
@@ -132,20 +132,20 @@ custom rate parameters, and temperature and pressure
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
           :language: cpp
-          :lines: 141-155
+          :lines: 133-147
 
     .. tab:: OpenAtmos Configuration reading
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
           :language: cpp
-          :lines: 75-93
+          :lines: 67-85
 
 
-Finally, we are ready to pick a timestep ans solve the system.
+Finally, we are ready to pick a timestep and solve the system.
 
   .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
     :language: cpp
-    :lines: 157-183
+    :lines: 149-173
 
 
 This is the output:
@@ -156,23 +156,23 @@ This is the output:
 +=======+============+============+============+============+============+============+============+
 |   0   | 1.00e+00   | 0.00e+00   | 0.00e+00   | 0.00e+00   | 0.00e+00   | 0.00e+00   | 0.00e+00   |
 +-------+------------+------------+------------+------------+------------+------------+------------+
-|  500  | 3.22e-09   | 3.70e-09   | 9.67e-01   | 3.92e-14   | 1.38e-03   | 2.04e-13   | 7.69e-03   |
+|  500  | 3.18e-09   | 3.66e-09   | 9.83e-01   | 3.88e-14   | 1.41e-03   | 2.02e-13   | 7.92e-03   |
 +-------+------------+------------+------------+------------+------------+------------+------------+
-| 1000  | 1.15e-14   | 1.33e-14   | 9.35e-01   | 1.40e-19   | 1.34e-03   | 7.31e-19   | 1.56e-02   |
+| 1000  | 1.14e-14   | 1.31e-14   | 9.66e-01   | 1.39e-19   | 1.40e-03   | 7.24e-19   | 1.64e-02   |
 +-------+------------+------------+------------+------------+------------+------------+------------+
-| 1500  | 4.14e-20   | 4.76e-20   | 9.06e-01   | 5.04e-25   | 1.29e-03   | 2.62e-24   | 2.30e-02   |
+| 1500  | 4.09e-20   | 4.71e-20   | 9.49e-01   | 4.98e-25   | 1.39e-03   | 2.59e-24   | 2.48e-02   |
 +-------+------------+------------+------------+------------+------------+------------+------------+
-| 2000  | 1.48e-25   | 1.71e-25   | 8.78e-01   | 1.81e-30   | 1.26e-03   | 9.40e-30   | 3.00e-02   |
+| 2000  | 1.47e-25   | 1.69e-25   | 9.33e-01   | 1.79e-30   | 1.38e-03   | 9.30e-30   | 3.30e-02   |
 +-------+------------+------------+------------+------------+------------+------------+------------+
-| 2500  | 5.32e-31   | 6.12e-31   | 8.52e-01   | 6.47e-36   | 1.22e-03   | 3.37e-35   | 3.65e-02   |
+| 2500  | 5.26e-31   | 6.05e-31   | 9.17e-01   | 6.40e-36   | 1.37e-03   | 3.33e-35   | 4.11e-02   |
 +-------+------------+------------+------------+------------+------------+------------+------------+
-| 3000  | 1.91e-36   | 2.19e-36   | 8.27e-01   | 2.32e-41   | 1.18e-03   | 1.21e-40   | 4.27e-02   |
+| 3000  | 1.89e-36   | 2.17e-36   | 9.01e-01   | 2.30e-41   | 1.36e-03   | 1.20e-40   | 4.90e-02   |
 +-------+------------+------------+------------+------------+------------+------------+------------+
-| 3500  | 6.84e-42   | 7.86e-42   | 8.04e-01   | 8.32e-47   | 1.15e-03   | 4.33e-46   | 4.85e-02   |
+| 3500  | 6.77e-42   | 7.78e-42   | 8.85e-01   | 8.23e-47   | 1.34e-03   | 4.29e-46   | 5.68e-02   |
 +-------+------------+------------+------------+------------+------------+------------+------------+
-| 4000  | 2.45e-47   | 2.82e-47   | 7.82e-01   | 2.98e-52   | 1.12e-03   | 1.55e-51   | 5.40e-02   |
+| 4000  | 2.43e-47   | 2.79e-47   | 8.70e-01   | 2.95e-52   | 1.33e-03   | 1.54e-51   | 6.44e-02   |
 +-------+------------+------------+------------+------------+------------+------------+------------+
-| 4500  | 8.80e-53   | 1.01e-52   | 7.61e-01   | 1.07e-57   | 1.09e-03   | 5.57e-57   | 5.92e-02   |
+| 4500  | 8.70e-53   | 1.00e-52   | 8.55e-01   | 1.06e-57   | 1.32e-03   | 5.51e-57   | 7.20e-02   |
 +-------+------------+------------+------------+------------+------------+------------+------------+
-| 5000  | 3.16e-58   | 3.63e-58   | 7.42e-01   | 3.84e-63   | 1.06e-03   | 2.00e-62   | 6.41e-02   |
+| 5000  | 3.12e-58   | 3.59e-58   | 8.40e-01   | 3.80e-63   | 1.31e-03   | 1.98e-62   | 7.94e-02   |
 +-------+------------+------------+------------+------------+------------+------------+------------+
\ No newline at end of file
diff --git a/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp b/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
index b53f2851a..e4b058ec9 100644
--- a/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
+++ b/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
@@ -14,12 +14,6 @@
 // Use our namespace so that this example is easier to read
 using namespace micm;
 
-// The Rosenbrock solver can use many matrix ordering types
-// Here, we use the default ordering, but we still need to provide a templated
-// Arguent to the solver so it can use the proper ordering with any data type
-template<class T>
-using SparseMatrixPolicy = SparseMatrix<T>;
-
 void print_header()
 {
   std::cout << std::setw(5) << "time"
@@ -135,9 +129,7 @@ int main(const int argc, const char* argv[])
   auto chemical_system = System(micm::SystemParameters{ .gas_phase_ = gas_phase });
   auto reactions = std::vector<micm::Process>{ r1, r2, r3, r4, r5, r6, r7 };
 
-  RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{ chemical_system,
-                                                       reactions,
-                                                       RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+  RosenbrockSolver solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
   State state = solver.GetState();
 
   state.conditions_[0].temperature_ = 287.45;  // K
diff --git a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
index a43b9a69b..c5c3c3660 100644
--- a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
+++ b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
@@ -15,12 +15,6 @@
 // Use our namespace so that this example is easier to read
 using namespace micm;
 
-// The Rosenbrock solver can use many matrix ordering types
-// Here, we use the default ordering, but we still need to provide a templated
-// Arguent to the solver so it can use the proper ordering with any data type
-template<class T>
-using SparseMatrixPolicy = SparseMatrix<T>;
-
 void print_header()
 {
   std::cout << std::setw(5) << "time"
@@ -68,9 +62,7 @@ int main(const int argc, const char* argv[])
   auto chemical_system = solver_params.system_;
   auto reactions = solver_params.processes_;
 
-  RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{ chemical_system,
-                                                       reactions,
-                                                       RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+  RosenbrockSolver solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
 
   State state = solver.GetState();
 

From 2202a2a1fa1859f6c921300eeb0800677fca9764 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 26 Sep 2023 11:20:25 -0500
Subject: [PATCH 030/318] correcting table

---
 .../user_guide/rate_constant_tutorial.rst     | 72 +++++++++----------
 ...rate_constants_no_user_defined_by_hand.cpp | 10 ++-
 ..._constants_no_user_defined_with_config.cpp | 10 ++-
 3 files changed, 54 insertions(+), 38 deletions(-)

diff --git a/docs/source/user_guide/rate_constant_tutorial.rst b/docs/source/user_guide/rate_constant_tutorial.rst
index 716d7ad94..a4ae3cf0d 100644
--- a/docs/source/user_guide/rate_constant_tutorial.rst
+++ b/docs/source/user_guide/rate_constant_tutorial.rst
@@ -67,14 +67,14 @@ rosenbrock solver at the top of the file.
 
   .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
     :language: cpp
-    :lines: 1-12
+    :lines: 1-13
 
 After that, we'll use the ``micm`` namespace and setup a template alias so that we can instantiate the 
 rosenbrock solver.
 
   .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
     :language: cpp
-    :lines: 14-15
+    :lines: 15-22
 
 To create a :cpp:class:`micm::RosenbrockSolver`, we have to define a chemical system (:cpp:class:`micm::System`)
 and our reactions, which will be a vector of :cpp:class:`micm::Process` We will use the species to define these.
@@ -89,7 +89,7 @@ and our reactions, which will be a vector of :cpp:class:`micm::Process` We will
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
           :language: cpp
-          :lines: 50-61
+          :lines: 56-67
 
         Now that we have a gas phase and our species, we can start building the reactions. Two things to note are that
         stoichiemtric coefficients for reactants are represented by repeating that product as many times as you need.
@@ -98,13 +98,13 @@ and our reactions, which will be a vector of :cpp:class:`micm::Process` We will
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
           :language: cpp
-          :lines: 63-127
+          :lines: 69-133
         
         And finally we define our chemical system and reactions
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
           :language: cpp
-          :lines: 129-130
+          :lines: 135-136
 
     .. tab:: OpenAtmos Configuration reading
 
@@ -113,7 +113,7 @@ and our reactions, which will be a vector of :cpp:class:`micm::Process` We will
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
           :language: cpp
-          :lines: 51-60
+          :lines: 57-69
 
 Now that we have a chemical system and a list of reactions, we can create the RosenbrockSolver.
 There are several ways to configure the solver. Here we are using a three stage solver. More options
@@ -121,7 +121,7 @@ can be found in the :cpp:class:`micm::RosenbrockSolverParameters`
 
   .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
     :language: cpp
-    :lines: 132-132
+    :lines: 138-140
 
 The rosenbrock solver will provide us a state, which we can use to set the concentrations,
 custom rate parameters, and temperature and pressure
@@ -132,47 +132,47 @@ custom rate parameters, and temperature and pressure
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
           :language: cpp
-          :lines: 133-147
+          :lines: 141-155
 
     .. tab:: OpenAtmos Configuration reading
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
           :language: cpp
-          :lines: 67-85
+          :lines: 75-93
 
 
-Finally, we are ready to pick a timestep and solve the system.
+Finally, we are ready to pick a timestep ans solve the system.
 
   .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
     :language: cpp
-    :lines: 149-173
+    :lines: 157-183
 
 
 This is the output:
 
 
-+-------+------------+------------+------------+------------+------------+------------+------------+
-| time  |     A      |     B      |     C      |     D      |     E      |     F      |     G      |
-+=======+============+============+============+============+============+============+============+
-|   0   | 1.00e+00   | 0.00e+00   | 0.00e+00   | 0.00e+00   | 0.00e+00   | 0.00e+00   | 0.00e+00   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
-|  500  | 3.18e-09   | 3.66e-09   | 9.83e-01   | 3.88e-14   | 1.41e-03   | 2.02e-13   | 7.92e-03   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
-| 1000  | 1.14e-14   | 1.31e-14   | 9.66e-01   | 1.39e-19   | 1.40e-03   | 7.24e-19   | 1.64e-02   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
-| 1500  | 4.09e-20   | 4.71e-20   | 9.49e-01   | 4.98e-25   | 1.39e-03   | 2.59e-24   | 2.48e-02   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
-| 2000  | 1.47e-25   | 1.69e-25   | 9.33e-01   | 1.79e-30   | 1.38e-03   | 9.30e-30   | 3.30e-02   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
-| 2500  | 5.26e-31   | 6.05e-31   | 9.17e-01   | 6.40e-36   | 1.37e-03   | 3.33e-35   | 4.11e-02   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
-| 3000  | 1.89e-36   | 2.17e-36   | 9.01e-01   | 2.30e-41   | 1.36e-03   | 1.20e-40   | 4.90e-02   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
-| 3500  | 6.77e-42   | 7.78e-42   | 8.85e-01   | 8.23e-47   | 1.34e-03   | 4.29e-46   | 5.68e-02   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
-| 4000  | 2.43e-47   | 2.79e-47   | 8.70e-01   | 2.95e-52   | 1.33e-03   | 1.54e-51   | 6.44e-02   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
-| 4500  | 8.70e-53   | 1.00e-52   | 8.55e-01   | 1.06e-57   | 1.32e-03   | 5.51e-57   | 7.20e-02   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
-| 5000  | 3.12e-58   | 3.59e-58   | 8.40e-01   | 3.80e-63   | 1.31e-03   | 1.98e-62   | 7.94e-02   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
\ No newline at end of file
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| time  |      A      |      B      |      C      |      D      |      E      |      F      |      G      |
++=======+=============+=============+=============+=============+=============+=============+=============+
+|   0   |   1.00e+00  |   0.00e+00  |   0.00e+00  |   0.00e+00  |   0.00e+00  |   0.00e+00  |   0.00e+00  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+|  500  |   3.18e-09  |   3.66e-09  |   9.83e-01  |   3.88e-14  |   1.41e-03  |   2.02e-13  |   7.92e-03  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 1000  |   1.14e-14  |   1.31e-14  |   9.66e-01  |   1.39e-19  |   1.40e-03  |   7.24e-19  |   1.64e-02  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 1500  |   4.09e-20  |   4.71e-20  |   9.49e-01  |   4.98e-25  |   1.39e-03  |   2.59e-24  |   2.48e-02  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 2000  |   1.47e-25  |   1.69e-25  |   9.33e-01  |   1.79e-30  |   1.38e-03  |   9.30e-30  |   3.30e-02  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 2500  |   5.26e-31  |   6.05e-31  |   9.17e-01  |   6.40e-36  |   1.37e-03  |   3.33e-35  |   4.11e-02  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 3000  |   1.89e-36  |   2.17e-36  |   9.01e-01  |   2.30e-41  |   1.36e-03  |   1.20e-40  |   4.90e-02  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 3500  |   6.77e-42  |   7.78e-42  |   8.85e-01  |   8.23e-47  |   1.34e-03  |   4.29e-46  |   5.68e-02  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 4000  |   2.43e-47  |   2.79e-47  |   8.70e-01  |   2.95e-52  |   1.33e-03  |   1.54e-51  |   6.44e-02  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 4500  |   8.70e-53  |   1.00e-52  |   8.55e-01  |   1.06e-57  |   1.32e-03  |   5.51e-57  |   7.20e-02  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 5000  |   3.12e-58  |   3.59e-58  |   8.40e-01  |   3.80e-63  |   1.31e-03  |   1.98e-62  |   7.94e-02  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
\ No newline at end of file
diff --git a/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp b/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
index e4b058ec9..b53f2851a 100644
--- a/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
+++ b/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
@@ -14,6 +14,12 @@
 // Use our namespace so that this example is easier to read
 using namespace micm;
 
+// The Rosenbrock solver can use many matrix ordering types
+// Here, we use the default ordering, but we still need to provide a templated
+// Arguent to the solver so it can use the proper ordering with any data type
+template<class T>
+using SparseMatrixPolicy = SparseMatrix<T>;
+
 void print_header()
 {
   std::cout << std::setw(5) << "time"
@@ -129,7 +135,9 @@ int main(const int argc, const char* argv[])
   auto chemical_system = System(micm::SystemParameters{ .gas_phase_ = gas_phase });
   auto reactions = std::vector<micm::Process>{ r1, r2, r3, r4, r5, r6, r7 };
 
-  RosenbrockSolver solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+  RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{ chemical_system,
+                                                       reactions,
+                                                       RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
   State state = solver.GetState();
 
   state.conditions_[0].temperature_ = 287.45;  // K
diff --git a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
index c5c3c3660..a43b9a69b 100644
--- a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
+++ b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
@@ -15,6 +15,12 @@
 // Use our namespace so that this example is easier to read
 using namespace micm;
 
+// The Rosenbrock solver can use many matrix ordering types
+// Here, we use the default ordering, but we still need to provide a templated
+// Arguent to the solver so it can use the proper ordering with any data type
+template<class T>
+using SparseMatrixPolicy = SparseMatrix<T>;
+
 void print_header()
 {
   std::cout << std::setw(5) << "time"
@@ -62,7 +68,9 @@ int main(const int argc, const char* argv[])
   auto chemical_system = solver_params.system_;
   auto reactions = solver_params.processes_;
 
-  RosenbrockSolver solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+  RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{ chemical_system,
+                                                       reactions,
+                                                       RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
 
   State state = solver.GetState();
 

From 254561e858b191a24eb9c4d4e1ca134741cc38fc Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 26 Sep 2023 12:35:33 -0500
Subject: [PATCH 031/318] decreased the photolysis rate constant increases

---
 .../user_defined_rate_constant_tutorial.rst   | 51 ++++++++++---------
 ...st_rate_constants_user_defined_by_hand.cpp |  2 +-
 ...ate_constants_user_defined_with_config.cpp |  2 +-
 3 files changed, 28 insertions(+), 27 deletions(-)

diff --git a/docs/source/user_guide/user_defined_rate_constant_tutorial.rst b/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
index c970afac2..2e4d6b63e 100644
--- a/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
+++ b/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
@@ -211,28 +211,29 @@ Finally, set and upate the rate constants as needed:
 And this is final output. Notice that the concentration of G ends up much higher than in 
 the :ref:`Rate constants` tutorial's result.
 
-+-------+------------+------------+------------+------------+------------+------------+------------+
-| time  |     A      |     B      |     C      |     D      |     E      |     F      |     G      |
-+=======+============+============+============+============+============+============+============+
-|   0   | 1.00e+00   | 0.00e+00   | 0.00e+00   | 0.00e+00   | 0.00e+00   | 0.00e+00   | 0.00e+00   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
-|  500  | 3.18e-09   | 3.66e-09   | 9.83e-01   | 3.88e-14   | 1.41e-03   | 2.02e-13   | 7.92e-03   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
-| 1000  | 1.14e-14   | 1.31e-14   | 9.66e-01   | 1.39e-19   | 1.40e-03   | 7.24e-19   | 1.64e-02   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
-| 1500  | 7.27e-20   | 6.40e-20   | 9.49e-01   | 6.53e-25   | 1.39e-03   | 3.19e-24   | 2.48e-02   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
-| 2000  | 3.17e-20   | 1.70e-20   | 9.33e-01   | 1.55e-25   | 1.38e-03   | 5.92e-25   | 3.30e-02   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
-| 2500  | 3.17e-20   | 1.70e-20   | 9.16e-01   | 1.55e-25   | 1.37e-03   | 5.92e-25   | 4.16e-02   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
-| 3000  | 3.17e-20   | 1.70e-20   | 8.96e-01   | 1.55e-25   | 1.35e-03   | 5.92e-25   | 5.40e-02   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
-| 3500  | 3.17e-20   | 1.70e-20   | 8.37e-01   | 1.55e-25   | 1.31e-03   | 5.92e-25   | 1.05e-01   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
-| 4000  | 3.17e-20   | 1.70e-20   | 4.99e-01   | 1.55e-25   | 1.02e-03   | 5.92e-25   | 4.38e-01   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
-| 4500  | 3.17e-20   | 1.70e-20   | 3.07e-03   | 1.55e-25   | 1.88e-04   | 5.92e-25   | 9.33e-01   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
-| 5000  | 3.17e-20   | 1.70e-20   | -3.55e-07  | 1.55e-25   | 7.14e-05   | 5.92e-25   | 9.36e-01   |
-+-------+------------+------------+------------+------------+------------+------------+------------+
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+|  time |      A      |      B      |      C      |      D      |      E      |      F      |      G      |
++=======+=============+=============+=============+=============+=============+=============+=============+
+|   0   |   1.00e+00  |   0.00e+00  |   0.00e+00  |   0.00e+00  |   0.00e+00  |   0.00e+00  |   0.00e+00  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+|  500  |   3.18e-09  |   3.66e-09  |   9.83e-01  |   3.88e-14  |   1.41e-03  |   2.02e-13  |   7.92e-03  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 1000  |   1.14e-14  |   1.31e-14  |   9.66e-01  |   1.39e-19  |   1.40e-03  |   7.24e-19  |   1.64e-02  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 1500  |   7.27e-20  |   6.40e-20  |   9.49e-01  |   6.53e-25  |   1.39e-03  |   3.19e-24  |   2.48e-02  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 2000  |   3.17e-20  |   1.70e-20  |   9.33e-01  |   1.55e-25  |   1.38e-03  |   5.92e-25  |   3.30e-02  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 2500  |   3.17e-20  |   1.70e-20  |   9.17e-01  |   1.55e-25  |   1.37e-03  |   5.92e-25  |   4.11e-02  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 3000  |   3.17e-20  |   1.70e-20  |   9.01e-01  |   1.55e-25  |   1.36e-03  |   5.92e-25  |   4.90e-02  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 3500  |   3.17e-20  |   1.70e-20  |   8.85e-01  |   1.55e-25  |   1.34e-03  |   5.92e-25  |   5.68e-02  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 4000  |   3.17e-20  |   1.70e-20  |   8.70e-01  |   1.55e-25  |   1.33e-03  |   5.92e-25  |   6.44e-02  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 4500  |   3.17e-20  |   1.70e-20  |   8.55e-01  |   1.55e-25  |   1.32e-03  |   5.92e-25  |   7.20e-02  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 5000  |   3.17e-20  |   1.70e-20  |   8.40e-01  |   1.55e-25  |   1.31e-03  |   5.92e-25  |   7.94e-02  |
++-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+
diff --git a/test/tutorial/test_rate_constants_user_defined_by_hand.cpp b/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
index 9bd45dd0b..874f3196c 100644
--- a/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
+++ b/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
@@ -204,7 +204,7 @@ int main(const int argc, const char* argv[])
     }
 
     print_state(time_step * (i + 1), state);
-    photo_rate *= 10;
+    photo_rate *= 1.5;
   }
 
   return 0;
diff --git a/test/tutorial/test_rate_constants_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_user_defined_with_config.cpp
index a14f7432d..117b6b738 100644
--- a/test/tutorial/test_rate_constants_user_defined_with_config.cpp
+++ b/test/tutorial/test_rate_constants_user_defined_with_config.cpp
@@ -124,7 +124,7 @@ int main(const int argc, const char* argv[])
     }
 
     print_state(time_step * (i + 1), state);
-    photo_rate *= 10;
+    photo_rate *= 1.5;
   }
 
   return 0;

From 77041da7c7a704f340b3b9fa01b91e6150c6e824 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 26 Sep 2023 12:41:04 -0500
Subject: [PATCH 032/318] Update
 docs/source/user_guide/user_defined_rate_constant_tutorial.rst

Co-authored-by: Matt Dawson <mattdawson@ucar.edu>
---
 .../source/user_guide/user_defined_rate_constant_tutorial.rst | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/docs/source/user_guide/user_defined_rate_constant_tutorial.rst b/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
index 2e4d6b63e..4b6445119 100644
--- a/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
+++ b/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
@@ -7,8 +7,8 @@ This tutorial extends the :ref:`Rate constants` tutorial. That one showed how to
 except the user-defined ones. The difference is that a user-defined rate constant must be updated by the user,
 whereas the other rate constants update in response to a changing state. 
 
-Internal to MICM, user-defined rate constants determine provide the ability to represent 
-emissions, loss, and photolysis rates. These can be static and the same for each time step, or dynamically updated 
+Internal to MICM, user-defined rate constants provide the ability to represent 
+processes like emissions, loss, and photolysis that have rate constants that are calculated externally from MICM. These can be static and the same for each time step, or dynamically updated 
 during the simulation.
 
 To show how this works, we'll add one photolysis reaction, one first-order loss reaction, and one emission

From 2ba61c498665eeedf75bd20f59774e36adce7c34 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 26 Sep 2023 12:41:14 -0500
Subject: [PATCH 033/318] Update
 test/tutorial/test_rate_constants_user_defined_by_hand.cpp

Co-authored-by: Matt Dawson <mattdawson@ucar.edu>
---
 test/tutorial/test_rate_constants_user_defined_by_hand.cpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/test/tutorial/test_rate_constants_user_defined_by_hand.cpp b/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
index 874f3196c..19fb16eb7 100644
--- a/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
+++ b/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
@@ -193,6 +193,7 @@ int main(const int argc, const char* argv[])
     // so we need to track how much time the solver was able to integrate for and continue
     // solving until we finish
     double elapsed_solve_time = 0;
+    // this rate is updated at each time step and would typically vary with time
     state.SetCustomRateParameter("my photolysis rate", photo_rate);
 
     while (elapsed_solve_time < time_step)

From 434303a24cc8ffe33da1525c51a36dde4c0c7029 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 26 Sep 2023 12:43:11 -0500
Subject: [PATCH 034/318] Update
 test/tutorial/test_rate_constants_user_defined_with_config.cpp

Co-authored-by: Matt Dawson <mattdawson@ucar.edu>
---
 test/tutorial/test_rate_constants_user_defined_with_config.cpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/test/tutorial/test_rate_constants_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_user_defined_with_config.cpp
index 117b6b738..d2e710071 100644
--- a/test/tutorial/test_rate_constants_user_defined_with_config.cpp
+++ b/test/tutorial/test_rate_constants_user_defined_with_config.cpp
@@ -113,6 +113,7 @@ int main(const int argc, const char* argv[])
     // so we need to track how much time the solver was able to integrate for and continue
     // solving until we finish
     double elapsed_solve_time = 0;
+    // This rate is updated at each time step and would typically vary with time
     state.SetCustomRateParameter("PHOTO.my photolysis rate", photo_rate);
 
     while (elapsed_solve_time < time_step)

From 12552c66f83e8c94457ecac27adad74c9acd9238 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 26 Sep 2023 12:44:53 -0500
Subject: [PATCH 035/318] address pr comments

---
 .../source/user_guide/user_defined_rate_constant_tutorial.rst | 4 ++--
 test/tutorial/test_rate_constants_user_defined_by_hand.cpp    | 1 -
 .../tutorial/test_rate_constants_user_defined_with_config.cpp | 1 -
 3 files changed, 2 insertions(+), 4 deletions(-)

diff --git a/docs/source/user_guide/user_defined_rate_constant_tutorial.rst b/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
index 2e4d6b63e..58f0c7c5a 100644
--- a/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
+++ b/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
@@ -168,7 +168,7 @@ Finally, set and upate the rate constants as needed:
              }
 
              print_state(time_step * (i + 1), state);
-          +   photo_rate *= 10;
+          +   photo_rate *= 1.5;
            }
 
     .. tab:: OpenAtmos Configuration reading
@@ -205,7 +205,7 @@ Finally, set and upate the rate constants as needed:
              }
 
              print_state(time_step * (i + 1), state);
-          +   photo_rate *= 10;
+          +   photo_rate *= 1.5;
            }
 
 And this is final output. Notice that the concentration of G ends up much higher than in 
diff --git a/test/tutorial/test_rate_constants_user_defined_by_hand.cpp b/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
index 874f3196c..ce6c6c8a1 100644
--- a/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
+++ b/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
@@ -199,7 +199,6 @@ int main(const int argc, const char* argv[])
     {
       auto result = solver.Solve(time_step - elapsed_solve_time, state);
       elapsed_solve_time = result.final_time_;
-      // std::cout << "solver state: " << StateToString(result.state_) << std::endl;
       state.variables_[0] = result.result_.AsVector();
     }
 
diff --git a/test/tutorial/test_rate_constants_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_user_defined_with_config.cpp
index 117b6b738..4e41e80ce 100644
--- a/test/tutorial/test_rate_constants_user_defined_with_config.cpp
+++ b/test/tutorial/test_rate_constants_user_defined_with_config.cpp
@@ -119,7 +119,6 @@ int main(const int argc, const char* argv[])
     {
       auto result = solver.Solve(time_step - elapsed_solve_time, state);
       elapsed_solve_time = result.final_time_;
-      // std::cout << "solver state: " << StateToString(result.state_) << std::endl;
       state.variables_[0] = result.result_.AsVector();
     }
 

From 5154fb552bc76e8e93da5ad73da3ef380468d14a Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Tue, 26 Sep 2023 17:46:01 +0000
Subject: [PATCH 036/318] Removed some commented out lines.

---
 include/micm/configure/solver_config.hpp | 2 --
 1 file changed, 2 deletions(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 3882f91ee..97bcb387c 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -135,7 +135,6 @@ namespace micm
       std::filesystem::path camp_config(config_dir / CAMP_CONFIG);
       if (std::filesystem::exists(camp_config))
       {
-        // std::cout << "Reading CAMP config " << camp_config << std::endl;
         json camp_data = json::parse(std::ifstream(camp_config));
         if (!camp_data.contains(CAMP_FILES))
           return ConfigParseStatus::CAMPFilesSectionNotFound;
@@ -143,7 +142,6 @@ namespace micm
         std::vector<std::string> camp_files;
         for (const auto& element : camp_data[CAMP_FILES])
         {
-          // std::cout << element.get<std::string>() << std::endl;
           camp_files.push_back(element.get<std::string>());
         }
         if (camp_files.size() != 2) {

From dd116338d004d50127854610bbb11b4e398ff2ef Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 26 Sep 2023 17:18:38 -0500
Subject: [PATCH 037/318] started multiple grid cell example, need to figure
 out why 2 of the 3 aren't changing

---
 docs/source/user_guide/index.rst              |   1 +
 .../source/user_guide/multiple_grid_cells.rst |  23 ++
 test/tutorial/CMakeLists.txt                  |   1 +
 test/tutorial/test_multiple_grid_cells.cpp    | 205 ++++++++++++++++++
 ...rate_constants_no_user_defined_by_hand.cpp |   2 +-
 ..._constants_no_user_defined_with_config.cpp |   2 +-
 6 files changed, 232 insertions(+), 2 deletions(-)
 create mode 100644 docs/source/user_guide/multiple_grid_cells.rst
 create mode 100644 test/tutorial/test_multiple_grid_cells.cpp

diff --git a/docs/source/user_guide/index.rst b/docs/source/user_guide/index.rst
index fad6b2bdc..30071eab6 100644
--- a/docs/source/user_guide/index.rst
+++ b/docs/source/user_guide/index.rst
@@ -20,3 +20,4 @@ If you happen to find our examples are lacking for your needs, please,
 
    rate_constant_tutorial
    user_defined_rate_constant_tutorial
+   multiple_grid_cells
diff --git a/docs/source/user_guide/multiple_grid_cells.rst b/docs/source/user_guide/multiple_grid_cells.rst
new file mode 100644
index 000000000..0afaead0c
--- /dev/null
+++ b/docs/source/user_guide/multiple_grid_cells.rst
@@ -0,0 +1,23 @@
+.. _Multiple grid cells:
+
+Multiple Grid Cells
+===================
+
+This tutorial will focus on running multiple grid cells. Because the 
+:ref:`Rate constants` and :ref:`User defined rate constants` showed both configuring
+the mechanism by hand and building with a configuration file, we will only show building
+up the mechanism by hand for this tutorial. That mechanism will be a simple chapman mechanism.
+
+
+.. math::
+
+  O_{1}^{d} + N_2 &\longrightarrow O + N_2, &k_{1, \mathrm{arrhenius}} \\
+  O_{1}^{d} + O_2 &\longrightarrow O + O_2, &k_{2, \mathrm{arrhenius}} \\
+  O + O_3 &\longrightarrow 2O_2, &k_{3, \mathrm{arrhenius}} \\
+  O + O_2 + M &\longrightarrow O_3 + M, &k_{4, \mathrm{arrhenius}} \\
+  O_2 &\longrightarrow 2O, &k_{5, \mathrm{photolysis}} \\
+  O_3 &\longrightarrow O_1^d +O_2,\qquad &k_{6, \mathrm{photolysis}} \\
+  O_3 &\longrightarrow O +O_2, &k_{7, \mathrm{photolysis}} \\
+
+We will use three grid cells. The second grid cells will have concentrations twice as large as the first grid cell.
+The third grid cell will have concentrations half as large as the first grid cell.
\ No newline at end of file
diff --git a/test/tutorial/CMakeLists.txt b/test/tutorial/CMakeLists.txt
index 430a4e8c5..a1c6203ff 100644
--- a/test/tutorial/CMakeLists.txt
+++ b/test/tutorial/CMakeLists.txt
@@ -8,6 +8,7 @@ include(test_util)
 
 create_standard_test(NAME README_example SOURCES test_README_example.cpp)
 create_standard_test(NAME rate_constants_no_user_defined_example_by_hand SOURCES test_rate_constants_no_user_defined_by_hand.cpp)
+create_standard_test(NAME multiple_grid_cells SOURCES test_multiple_grid_cells.cpp)
 if(ENABLE_JSON)
   create_standard_test(NAME rate_constants_no_user_defined_example_with_config SOURCES test_rate_constants_no_user_defined_with_config.cpp)
 endif()
diff --git a/test/tutorial/test_multiple_grid_cells.cpp b/test/tutorial/test_multiple_grid_cells.cpp
new file mode 100644
index 000000000..282d1778a
--- /dev/null
+++ b/test/tutorial/test_multiple_grid_cells.cpp
@@ -0,0 +1,205 @@
+#include <iomanip>
+#include <iostream>
+#include <map>
+#include <algorithm>
+
+// Each rate constant is in its own header file
+#include <micm/process/arrhenius_rate_constant.hpp>
+#include <micm/process/branched_rate_constant.hpp>
+#include <micm/process/surface_rate_constant.hpp>
+#include <micm/process/ternary_chemical_activation_rate_constant.hpp>
+#include <micm/process/troe_rate_constant.hpp>
+#include <micm/process/tunneling_rate_constant.hpp>
+#include <micm/process/user_defined_rate_constant.hpp>
+#include <micm/solver/rosenbrock.hpp>
+
+// Use our namespace so that this example is easier to read
+using namespace micm;
+
+// The Rosenbrock solver can use many matrix ordering types
+// Here, we use the default ordering, but we still need to provide a templated
+// Arguent to the solver so it can use the proper ordering with any data type
+template<class T>
+using SparseMatrixPolicy = SparseMatrix<T>;
+
+void print_header()
+{
+  std::cout << std::setw(5) << "time"
+            << "," << std::setw(5) << "grid"
+            << "," << std::setw(10) << "O"
+            << "," << std::setw(10) << "O1D"
+            << "," << std::setw(10) << "O2"
+            << "," << std::setw(10) << "O3"
+            << "," << std::setw(10) << "M"
+            << "," << std::setw(10) << "Ar"
+            << "," << std::setw(10) << "N2" 
+            << "," << std::setw(10) << "H2O" 
+            << "," << std::setw(10) << "CO2" 
+            << std::endl;
+}
+
+template<template<class> class T>
+void print_state(double time, State<T>& state)
+{
+  std::ios oldState(nullptr);
+  oldState.copyfmt(std::cout);
+
+
+  std::cout << std::setw(5) << time << ",";
+  std::cout << std::scientific << std::setprecision(2)
+            << std::setw(6) << "1,"
+            << std::setw(10) << state.variables_[0][state.variable_map_["O"]] << "," 
+            << std::setw(10) << state.variables_[0][state.variable_map_["O1D"]] << ","
+            << std::setw(10) << state.variables_[0][state.variable_map_["O2"]] << "," 
+            << std::setw(10) << state.variables_[0][state.variable_map_["O3"]] << "," 
+            << std::setw(10) << state.variables_[0][state.variable_map_["M"]] << "," 
+            << std::setw(10) << state.variables_[0][state.variable_map_["Ar"]] << "," 
+            << std::setw(10) << state.variables_[0][state.variable_map_["N2"]] << "," 
+            << std::setw(10) << state.variables_[0][state.variable_map_["H2O"]] << "," 
+            << std::setw(10) << state.variables_[0][state.variable_map_["CO2"]]
+            << std::endl;
+
+  std::cout.copyfmt(oldState);
+  std::cout << std::setw(5) << time << ",";
+  std::cout << std::scientific << std::setprecision(2)
+            << std::setw(6) << "2,"
+            << std::setw(10) << state.variables_[1][state.variable_map_["O"]] << "," 
+            << std::setw(10) << state.variables_[1][state.variable_map_["O1D"]] << ","
+            << std::setw(10) << state.variables_[1][state.variable_map_["O2"]] << "," 
+            << std::setw(10) << state.variables_[1][state.variable_map_["O3"]] << "," 
+            << std::setw(10) << state.variables_[1][state.variable_map_["M"]] << "," 
+            << std::setw(10) << state.variables_[1][state.variable_map_["Ar"]] << "," 
+            << std::setw(10) << state.variables_[1][state.variable_map_["N2"]] << "," 
+            << std::setw(10) << state.variables_[1][state.variable_map_["H2O"]] << "," 
+            << std::setw(10) << state.variables_[1][state.variable_map_["CO2"]]
+            << std::endl;
+
+  std::cout.copyfmt(oldState);
+  std::cout << std::setw(5) << time << ",";
+  std::cout << std::scientific << std::setprecision(2)
+            << std::setw(6) << "3,"
+            << std::setw(10) << state.variables_[2][state.variable_map_["O"]] << "," 
+            << std::setw(10) << state.variables_[2][state.variable_map_["O1D"]] << ","
+            << std::setw(10) << state.variables_[2][state.variable_map_["O2"]] << "," 
+            << std::setw(10) << state.variables_[2][state.variable_map_["O3"]] << "," 
+            << std::setw(10) << state.variables_[2][state.variable_map_["M"]] << "," 
+            << std::setw(10) << state.variables_[2][state.variable_map_["Ar"]] << "," 
+            << std::setw(10) << state.variables_[2][state.variable_map_["N2"]] << "," 
+            << std::setw(10) << state.variables_[2][state.variable_map_["H2O"]] << "," 
+            << std::setw(10) << state.variables_[2][state.variable_map_["CO2"]]
+            << std::endl;
+
+  std::cout.copyfmt(oldState);
+}
+
+int main(){
+  auto o =   Species("O");
+  auto o1d = Species("O1D");
+  auto o2 =  Species("O2");
+  auto o3 =  Species("O3");
+  auto m =   Species("M");
+  auto ar =  Species("Ar");
+  auto n2 =  Species("N2");
+  auto h2o = Species("H2O");
+  auto co2 = Species("CO2");
+
+  Phase gas_phase{ std::vector<Species>{ o, o1d, o2, o3, m, ar, n2, h2o, co2 } };
+
+  Process r1 = Process::create()
+                         .reactants({ o1d, n2 })
+                         .products({ yields(o, 1), yields(n2, 1) })
+                         .rate_constant(ArrheniusRateConstant({ .A_ = 2.15e-11, .B_ = 0, .C_ = 110 }))
+                         .phase(gas_phase);
+
+  Process r2 = Process::create()
+                         .reactants({ o1d, o2 })
+                         .products({ yields(o, 1), yields(o2, 1) })
+                         .rate_constant(ArrheniusRateConstant(
+                             ArrheniusRateConstantParameters{ .A_ = 3.3e-11, .B_ = 0, .C_ = 55 }))
+                         .phase(gas_phase);
+
+  Process r3 = Process::create()
+                         .reactants({ o, o3 })
+                         .products({ yields(o2, 2) })
+                         .rate_constant(ArrheniusRateConstant(
+                             ArrheniusRateConstantParameters{ .A_ = 8e-12, .B_ = 0, .C_ = -2060 }))
+                         .phase(gas_phase);
+
+  Process r4 = Process::create()
+                         .reactants({ o, o2, m })
+                         .products({ yields(o3, 1), yields(m, 1) })
+                         .rate_constant(ArrheniusRateConstant(
+                             ArrheniusRateConstantParameters{ .A_ = 6.0e-34, .B_ = 0, .C_ = 2.4 }))
+                         .phase(gas_phase);
+
+  Process photo_1 = Process::create()
+                              .reactants({ o2 })
+                              .products({ yields(o, 2) })
+                              .rate_constant(UserDefinedRateConstant({ .label_ = "jO2" }))
+                              .phase(gas_phase);
+
+  Process photo_2 = Process::create()
+                              .reactants({ o3 })
+                              .products({ yields(o1d, 1), yields(o2, 1) })
+                              .rate_constant(UserDefinedRateConstant({ .label_ = "jO3a" }))
+                              .phase(gas_phase);
+
+  Process photo_3 = Process::create()
+                              .reactants({ o3 })
+                              .products({ yields(o, 1), yields(o2, 1) })
+                              .rate_constant(UserDefinedRateConstant({ .label_ = "jO3b" }))
+                              .phase(gas_phase);
+
+  RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{
+    System(SystemParameters{ .gas_phase_ = gas_phase }),
+    std::vector<Process>{ r1, r2, r3, r4, photo_1, photo_2, photo_3 },
+    RosenbrockSolverParameters::three_stage_rosenbrock_parameters(3, false)
+  };
+
+  State<Matrix> state = solver.GetState();
+
+  std::vector<double> concentrations{ 1, 1, 1, 2, 2, 2, 3, 3, 3 };
+  state.variables_[0] = concentrations;
+
+  std::transform(concentrations.begin(), concentrations.end(), concentrations.begin(), [](auto& c){return c*2;});
+  state.variables_[1] = concentrations;
+
+  std::transform(concentrations.begin(), concentrations.end(), concentrations.begin(), [](auto& c){return c/4;});
+  state.variables_[2] = concentrations;
+
+  state.SetCustomRateParameter("jO2",  {0.01, 0.01, 0.01});
+  state.SetCustomRateParameter("jO3a", {0.02, 0.02, 0.02});
+  state.SetCustomRateParameter("jO3b", {0.03, 0.03, 0.03});
+
+  state.conditions_[0].temperature_ = 284.19;  // [K]
+  state.conditions_[0].pressure_ = 101245.0;   // [Pa]
+  state.conditions_[1].temperature_ = 215.02;  // [K]
+  state.conditions_[1].pressure_ = 100789.2;   // [Pa]
+  state.conditions_[2].temperature_ = 299.31;  // [K]
+  state.conditions_[2].pressure_ = 101398.0;   // [Pa]
+
+  // choose a timestep and print the initial state
+  double time_step = 500;  // s
+
+  print_header();
+  print_state(0, state);
+
+  // solve for ten iterations
+  for (int i = 0; i < 10; ++i)
+  {
+    // Depending on how stiff the system is
+    // the solver integration step may not be able to solve for the full time step
+    // so we need to track how much time the solver was able to integrate for and continue
+    // solving until we finish
+    double elapsed_solve_time = 0;
+
+    while (elapsed_solve_time < time_step)
+    {
+      auto result = solver.Solve(time_step - elapsed_solve_time, state);
+      elapsed_solve_time = result.final_time_;
+      state.variables_[0] = result.result_.AsVector();
+    }
+
+    print_state(time_step * (i + 1), state);
+  }
+}
\ No newline at end of file
diff --git a/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp b/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
index b53f2851a..eb77d5cef 100644
--- a/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
+++ b/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
@@ -154,7 +154,7 @@ int main(const int argc, const char* argv[])
   state.SetCustomRateParameter("C.effective radius [m]", 1e-7);
   state.SetCustomRateParameter("C.particle number concentration [# m-3]", 2.5e6);
 
-  // choose and timestep a print the initial state
+  // choose a timestep and print the initial state
   double time_step = 500;  // s
 
   print_header();
diff --git a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
index a43b9a69b..f11fab469 100644
--- a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
+++ b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
@@ -92,7 +92,7 @@ int main(const int argc, const char* argv[])
   state.SetCustomRateParameter("SURF.C surface.effective radius [m]", 1e-7);
   state.SetCustomRateParameter("SURF.C surface.particle number concentration [# m-3]", 2.5e6);
 
-  // choose a timestep a print the initial state
+  // choose a timestep and print the initial state
   double time_step = 500;  // s
 
   print_header();

From 40dd6a92e869241059db39232aca2a2e942d48cd Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Wed, 27 Sep 2023 12:53:07 -0700
Subject: [PATCH 038/318] Auto-format code changes (#262)

Auto-format code using Clang-Format

Co-authored-by: GitHub Actions <actions@github.com>
---
 include/micm/configure/solver_config.hpp      |  3 +-
 .../micm/process/surface_rate_constant.hpp    |  2 +-
 include/micm/solver/rosenbrock.hpp            | 30 +++++++++----------
 3 files changed, 18 insertions(+), 17 deletions(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 920e64c8e..ea004b40e 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -144,7 +144,8 @@ namespace micm
         {
           camp_files.push_back(element.get<std::string>());
         }
-        if (camp_files.size() != 2) {
+        if (camp_files.size() != 2)
+        {
           std::string err_msg = "CAMP file list should contain two files [species.json, mechanism.json]";
           std::cerr << err_msg << std::endl;
           return ConfigParseStatus::InvalidCAMPFileCount;
diff --git a/include/micm/process/surface_rate_constant.hpp b/include/micm/process/surface_rate_constant.hpp
index 69ae4bb24..1781f51f3 100644
--- a/include/micm/process/surface_rate_constant.hpp
+++ b/include/micm/process/surface_rate_constant.hpp
@@ -78,7 +78,7 @@ namespace micm
     const double radius = *(custom_parameters++);
     const double number = *(custom_parameters);
     double val = (double)4.0 * number * M_PI * radius * radius /
-           (radius / diffusion_coefficient_ + 4.0 / (mean_free_speed * parameters_.reaction_probability_));
+                 (radius / diffusion_coefficient_ + 4.0 / (mean_free_speed * parameters_.reaction_probability_));
     return val;
   }
 
diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index fc57d2f5e..f7bef36be 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -86,37 +86,37 @@ namespace micm
     void print() const;
 
     /// @brief an L-stable method, 2 stages, order 2
-    /// @param number_of_grid_cells 
-    /// @param reorder_state 
-    /// @return 
+    /// @param number_of_grid_cells
+    /// @param reorder_state
+    /// @return
     static RosenbrockSolverParameters two_stage_rosenbrock_parameters(
         size_t number_of_grid_cells = 1,
         bool reorder_state = true);
     /// @brief an L-stable method, 3 stages, order 3, 2 function evaluations
-    /// @param number_of_grid_cells 
-    /// @param reorder_state 
-    /// @return 
+    /// @param number_of_grid_cells
+    /// @param reorder_state
+    /// @return
     static RosenbrockSolverParameters three_stage_rosenbrock_parameters(
         size_t number_of_grid_cells = 1,
         bool reorder_state = true);
     /// @brief L-stable rosenbrock method of order 4, with 4 stages
-    /// @param number_of_grid_cells 
-    /// @param reorder_state 
-    /// @return 
+    /// @param number_of_grid_cells
+    /// @param reorder_state
+    /// @return
     static RosenbrockSolverParameters four_stage_rosenbrock_parameters(
         size_t number_of_grid_cells = 1,
         bool reorder_state = true);
     /// @brief A stiffly-stable method, 4 stages, order 3
-    /// @param number_of_grid_cells 
-    /// @param reorder_state 
-    /// @return 
+    /// @param number_of_grid_cells
+    /// @param reorder_state
+    /// @return
     static RosenbrockSolverParameters four_stage_differential_algebraic_rosenbrock_parameters(
         size_t number_of_grid_cells = 1,
         bool reorder_state = true);
     /// @brief stiffly-stable rosenbrock method of order 4, with 6 stages
-    /// @param number_of_grid_cells 
-    /// @param reorder_state 
-    /// @return 
+    /// @param number_of_grid_cells
+    /// @param reorder_state
+    /// @return
     static RosenbrockSolverParameters six_stage_differential_algebraic_rosenbrock_parameters(
         size_t number_of_grid_cells = 1,
         bool reorder_state = true);

From 363ec5e3b4b38850bad6ee65d9db508faf62fe6d Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 27 Sep 2023 15:08:44 -0500
Subject: [PATCH 039/318] adding better conditions and rates, setting
 concentrations for all grid cells

---
 .../source/user_guide/multiple_grid_cells.rst |  77 ++++++-
 test/tutorial/test_multiple_grid_cells.cpp    | 212 +++++++++---------
 2 files changed, 186 insertions(+), 103 deletions(-)

diff --git a/docs/source/user_guide/multiple_grid_cells.rst b/docs/source/user_guide/multiple_grid_cells.rst
index 0afaead0c..1a559ee96 100644
--- a/docs/source/user_guide/multiple_grid_cells.rst
+++ b/docs/source/user_guide/multiple_grid_cells.rst
@@ -8,7 +8,6 @@ This tutorial will focus on running multiple grid cells. Because the
 the mechanism by hand and building with a configuration file, we will only show building
 up the mechanism by hand for this tutorial. That mechanism will be a simple chapman mechanism.
 
-
 .. math::
 
   O_{1}^{d} + N_2 &\longrightarrow O + N_2, &k_{1, \mathrm{arrhenius}} \\
@@ -20,4 +19,78 @@ up the mechanism by hand for this tutorial. That mechanism will be a simple chap
   O_3 &\longrightarrow O +O_2, &k_{7, \mathrm{photolysis}} \\
 
 We will use three grid cells. The second grid cells will have concentrations twice as large as the first grid cell.
-The third grid cell will have concentrations half as large as the first grid cell.
\ No newline at end of file
+The third grid cell will have concentrations half as large as the first grid cell. Initial conditions are things
+that might be found in the atmosphere and the photolysis values are typical photolysis rates at noon.
+
+
+And these are the results.
+
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+|  time | grid |      O      |     O1D     |      O2     |      O3     |      M      |     Ar      |     N2      |     H2O     |     CO2     |
++=======+======+=============+=============+=============+=============+=============+=============+=============+=============+=============+
+|   0   |  1   |   0.00e+00  |   0.00e+00  |   7.50e-01  |   8.10e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+|   0   |  2   |   0.00e+00  |   0.00e+00  |   1.50e+00  |   1.62e-05  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+|   0   |  3   |   0.00e+00  |   0.00e+00  |   3.75e-01  |   4.05e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+|  200  |  1   |   7.62e-07  |   3.19e-08  |   7.50e-01  |   7.31e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+|  200  |  2   |   1.52e-06  |   6.37e-08  |   1.50e+00  |   1.46e-05  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+|  200  |  3   |   3.81e-07  |   1.59e-08  |   3.75e-01  |   3.65e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+|  400  |  1   |   1.45e-06  |   6.06e-08  |   7.50e-01  |   6.59e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+|  400  |  2   |   2.90e-06  |   1.21e-07  |   1.50e+00  |   1.32e-05  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+|  400  |  3   |   7.25e-07  |   3.03e-08  |   3.75e-01  |   3.30e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+|  600  |  1   |   2.07e-06  |   8.65e-08  |   7.50e-01  |   5.94e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+|  600  |  2   |   4.14e-06  |   1.73e-07  |   1.50e+00  |   1.19e-05  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+|  600  |  3   |   1.03e-06  |   4.33e-08  |   3.75e-01  |   2.97e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+|  800  |  1   |   2.63e-06  |   1.10e-07  |   7.50e-01  |   5.36e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+|  800  |  2   |   5.26e-06  |   2.20e-07  |   1.50e+00  |   1.07e-05  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+|  800  |  3   |   1.31e-06  |   5.50e-08  |   3.75e-01  |   2.68e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 1000  |  1   |   3.13e-06  |   1.31e-07  |   7.50e-01  |   4.84e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 1000  |  2   |   6.27e-06  |   2.62e-07  |   1.50e+00  |   9.67e-06  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 1000  |  3   |   1.57e-06  |   6.55e-08  |   3.75e-01  |   2.42e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 1200  |  1   |   3.59e-06  |   1.50e-07  |   7.50e-01  |   4.36e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 1200  |  2   |   7.18e-06  |   3.00e-07  |   1.50e+00  |   8.72e-06  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 1200  |  3   |   1.79e-06  |   7.50e-08  |   3.75e-01  |   2.18e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 1400  |  1   |   4.00e-06  |   1.67e-07  |   7.50e-01  |   3.93e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 1400  |  2   |   8.00e-06  |   3.34e-07  |   1.50e+00  |   7.87e-06  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 1400  |  3   |   2.00e-06  |   8.36e-08  |   3.75e-01  |   1.97e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 1600  |  1   |   4.37e-06  |   1.83e-07  |   7.50e-01  |   3.55e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 1600  |  2   |   8.74e-06  |   3.65e-07  |   1.50e+00  |   7.10e-06  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 1600  |  3   |   2.18e-06  |   9.13e-08  |   3.75e-01  |   1.77e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 1800  |  1   |   4.70e-06  |   1.97e-07  |   7.50e-01  |   3.20e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 1800  |  2   |   9.40e-06  |   3.93e-07  |   1.50e+00  |   6.40e-06  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 1800  |  3   |   2.35e-06  |   9.83e-08  |   3.75e-01  |   1.60e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 2000  |  1   |   5.00e-06  |   2.09e-07  |   7.50e-01  |   2.89e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 2000  |  2   |   1.00e-05  |   4.18e-07  |   1.50e+00  |   5.78e-06  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+| 2000  |  3   |   2.50e-06  |   1.05e-07  |   3.75e-01  |   1.44e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
++-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
diff --git a/test/tutorial/test_multiple_grid_cells.cpp b/test/tutorial/test_multiple_grid_cells.cpp
index 282d1778a..361f7db11 100644
--- a/test/tutorial/test_multiple_grid_cells.cpp
+++ b/test/tutorial/test_multiple_grid_cells.cpp
@@ -1,7 +1,7 @@
+#include <algorithm>
 #include <iomanip>
 #include <iostream>
 #include <map>
-#include <algorithm>
 
 // Each rate constant is in its own header file
 #include <micm/process/arrhenius_rate_constant.hpp>
@@ -32,10 +32,9 @@ void print_header()
             << "," << std::setw(10) << "O3"
             << "," << std::setw(10) << "M"
             << "," << std::setw(10) << "Ar"
-            << "," << std::setw(10) << "N2" 
-            << "," << std::setw(10) << "H2O" 
-            << "," << std::setw(10) << "CO2" 
-            << std::endl;
+            << "," << std::setw(10) << "N2"
+            << "," << std::setw(10) << "H2O"
+            << "," << std::setw(10) << "CO2" << std::endl;
 }
 
 template<template<class> class T>
@@ -44,132 +43,143 @@ void print_state(double time, State<T>& state)
   std::ios oldState(nullptr);
   oldState.copyfmt(std::cout);
 
-
   std::cout << std::setw(5) << time << ",";
-  std::cout << std::scientific << std::setprecision(2)
-            << std::setw(6) << "1,"
-            << std::setw(10) << state.variables_[0][state.variable_map_["O"]] << "," 
-            << std::setw(10) << state.variables_[0][state.variable_map_["O1D"]] << ","
-            << std::setw(10) << state.variables_[0][state.variable_map_["O2"]] << "," 
-            << std::setw(10) << state.variables_[0][state.variable_map_["O3"]] << "," 
-            << std::setw(10) << state.variables_[0][state.variable_map_["M"]] << "," 
-            << std::setw(10) << state.variables_[0][state.variable_map_["Ar"]] << "," 
-            << std::setw(10) << state.variables_[0][state.variable_map_["N2"]] << "," 
-            << std::setw(10) << state.variables_[0][state.variable_map_["H2O"]] << "," 
-            << std::setw(10) << state.variables_[0][state.variable_map_["CO2"]]
-            << std::endl;
+  std::cout << std::scientific << std::setprecision(2) << std::setw(6) << "1," << std::setw(10)
+            << state.variables_[0][state.variable_map_["O"]] << "," << std::setw(10)
+            << state.variables_[0][state.variable_map_["O1D"]] << "," << std::setw(10)
+            << state.variables_[0][state.variable_map_["O2"]] << "," << std::setw(10)
+            << state.variables_[0][state.variable_map_["O3"]] << "," << std::setw(10)
+            << state.variables_[0][state.variable_map_["M"]] << "," << std::setw(10)
+            << state.variables_[0][state.variable_map_["Ar"]] << "," << std::setw(10)
+            << state.variables_[0][state.variable_map_["N2"]] << "," << std::setw(10)
+            << state.variables_[0][state.variable_map_["H2O"]] << "," << std::setw(10)
+            << state.variables_[0][state.variable_map_["CO2"]] << std::endl;
 
   std::cout.copyfmt(oldState);
   std::cout << std::setw(5) << time << ",";
-  std::cout << std::scientific << std::setprecision(2)
-            << std::setw(6) << "2,"
-            << std::setw(10) << state.variables_[1][state.variable_map_["O"]] << "," 
-            << std::setw(10) << state.variables_[1][state.variable_map_["O1D"]] << ","
-            << std::setw(10) << state.variables_[1][state.variable_map_["O2"]] << "," 
-            << std::setw(10) << state.variables_[1][state.variable_map_["O3"]] << "," 
-            << std::setw(10) << state.variables_[1][state.variable_map_["M"]] << "," 
-            << std::setw(10) << state.variables_[1][state.variable_map_["Ar"]] << "," 
-            << std::setw(10) << state.variables_[1][state.variable_map_["N2"]] << "," 
-            << std::setw(10) << state.variables_[1][state.variable_map_["H2O"]] << "," 
-            << std::setw(10) << state.variables_[1][state.variable_map_["CO2"]]
-            << std::endl;
+  std::cout << std::scientific << std::setprecision(2) << std::setw(6) << "2," << std::setw(10)
+            << state.variables_[1][state.variable_map_["O"]] << "," << std::setw(10)
+            << state.variables_[1][state.variable_map_["O1D"]] << "," << std::setw(10)
+            << state.variables_[1][state.variable_map_["O2"]] << "," << std::setw(10)
+            << state.variables_[1][state.variable_map_["O3"]] << "," << std::setw(10)
+            << state.variables_[1][state.variable_map_["M"]] << "," << std::setw(10)
+            << state.variables_[1][state.variable_map_["Ar"]] << "," << std::setw(10)
+            << state.variables_[1][state.variable_map_["N2"]] << "," << std::setw(10)
+            << state.variables_[1][state.variable_map_["H2O"]] << "," << std::setw(10)
+            << state.variables_[1][state.variable_map_["CO2"]] << std::endl;
 
   std::cout.copyfmt(oldState);
   std::cout << std::setw(5) << time << ",";
-  std::cout << std::scientific << std::setprecision(2)
-            << std::setw(6) << "3,"
-            << std::setw(10) << state.variables_[2][state.variable_map_["O"]] << "," 
-            << std::setw(10) << state.variables_[2][state.variable_map_["O1D"]] << ","
-            << std::setw(10) << state.variables_[2][state.variable_map_["O2"]] << "," 
-            << std::setw(10) << state.variables_[2][state.variable_map_["O3"]] << "," 
-            << std::setw(10) << state.variables_[2][state.variable_map_["M"]] << "," 
-            << std::setw(10) << state.variables_[2][state.variable_map_["Ar"]] << "," 
-            << std::setw(10) << state.variables_[2][state.variable_map_["N2"]] << "," 
-            << std::setw(10) << state.variables_[2][state.variable_map_["H2O"]] << "," 
-            << std::setw(10) << state.variables_[2][state.variable_map_["CO2"]]
-            << std::endl;
+  std::cout << std::scientific << std::setprecision(2) << std::setw(6) << "3," << std::setw(10)
+            << state.variables_[2][state.variable_map_["O"]] << "," << std::setw(10)
+            << state.variables_[2][state.variable_map_["O1D"]] << "," << std::setw(10)
+            << state.variables_[2][state.variable_map_["O2"]] << "," << std::setw(10)
+            << state.variables_[2][state.variable_map_["O3"]] << "," << std::setw(10)
+            << state.variables_[2][state.variable_map_["M"]] << "," << std::setw(10)
+            << state.variables_[2][state.variable_map_["Ar"]] << "," << std::setw(10)
+            << state.variables_[2][state.variable_map_["N2"]] << "," << std::setw(10)
+            << state.variables_[2][state.variable_map_["H2O"]] << "," << std::setw(10)
+            << state.variables_[2][state.variable_map_["CO2"]] << std::endl;
 
   std::cout.copyfmt(oldState);
 }
 
-int main(){
-  auto o =   Species("O");
+int main()
+{
+  auto o = Species("O");
   auto o1d = Species("O1D");
-  auto o2 =  Species("O2");
-  auto o3 =  Species("O3");
-  auto m =   Species("M");
-  auto ar =  Species("Ar");
-  auto n2 =  Species("N2");
+  auto o2 = Species("O2");
+  auto o3 = Species("O3");
+  auto m = Species("M");
+  auto ar = Species("Ar");
+  auto n2 = Species("N2");
   auto h2o = Species("H2O");
   auto co2 = Species("CO2");
 
   Phase gas_phase{ std::vector<Species>{ o, o1d, o2, o3, m, ar, n2, h2o, co2 } };
 
   Process r1 = Process::create()
-                         .reactants({ o1d, n2 })
-                         .products({ yields(o, 1), yields(n2, 1) })
-                         .rate_constant(ArrheniusRateConstant({ .A_ = 2.15e-11, .B_ = 0, .C_ = 110 }))
-                         .phase(gas_phase);
+                   .reactants({ o1d, n2 })
+                   .products({ yields(o, 1), yields(n2, 1) })
+                   .rate_constant(ArrheniusRateConstant({ .A_ = 2.15e-11, .B_ = 0, .C_ = 110 }))
+                   .phase(gas_phase);
 
   Process r2 = Process::create()
-                         .reactants({ o1d, o2 })
-                         .products({ yields(o, 1), yields(o2, 1) })
-                         .rate_constant(ArrheniusRateConstant(
-                             ArrheniusRateConstantParameters{ .A_ = 3.3e-11, .B_ = 0, .C_ = 55 }))
-                         .phase(gas_phase);
-
-  Process r3 = Process::create()
-                         .reactants({ o, o3 })
-                         .products({ yields(o2, 2) })
-                         .rate_constant(ArrheniusRateConstant(
-                             ArrheniusRateConstantParameters{ .A_ = 8e-12, .B_ = 0, .C_ = -2060 }))
-                         .phase(gas_phase);
-
-  Process r4 = Process::create()
-                         .reactants({ o, o2, m })
-                         .products({ yields(o3, 1), yields(m, 1) })
-                         .rate_constant(ArrheniusRateConstant(
-                             ArrheniusRateConstantParameters{ .A_ = 6.0e-34, .B_ = 0, .C_ = 2.4 }))
-                         .phase(gas_phase);
+                   .reactants({ o1d, o2 })
+                   .products({ yields(o, 1), yields(o2, 1) })
+                   .rate_constant(ArrheniusRateConstant(ArrheniusRateConstantParameters{ .A_ = 3.3e-11, .B_ = 0, .C_ = 55 }))
+                   .phase(gas_phase);
+
+  Process r3 =
+      Process::create()
+          .reactants({ o, o3 })
+          .products({ yields(o2, 2) })
+          .rate_constant(ArrheniusRateConstant(ArrheniusRateConstantParameters{ .A_ = 8e-12, .B_ = 0, .C_ = -2060 }))
+          .phase(gas_phase);
+
+  Process r4 =
+      Process::create()
+          .reactants({ o, o2, m })
+          .products({ yields(o3, 1), yields(m, 1) })
+          .rate_constant(ArrheniusRateConstant(ArrheniusRateConstantParameters{ .A_ = 6.0e-34, .B_ = 0, .C_ = 2.4 }))
+          .phase(gas_phase);
 
   Process photo_1 = Process::create()
-                              .reactants({ o2 })
-                              .products({ yields(o, 2) })
-                              .rate_constant(UserDefinedRateConstant({ .label_ = "jO2" }))
-                              .phase(gas_phase);
+                        .reactants({ o2 })
+                        .products({ yields(o, 2) })
+                        .rate_constant(UserDefinedRateConstant({ .label_ = "jO2" }))
+                        .phase(gas_phase);
 
   Process photo_2 = Process::create()
-                              .reactants({ o3 })
-                              .products({ yields(o1d, 1), yields(o2, 1) })
-                              .rate_constant(UserDefinedRateConstant({ .label_ = "jO3a" }))
-                              .phase(gas_phase);
+                        .reactants({ o3 })
+                        .products({ yields(o1d, 1), yields(o2, 1) })
+                        .rate_constant(UserDefinedRateConstant({ .label_ = "jO3a" }))
+                        .phase(gas_phase);
 
   Process photo_3 = Process::create()
-                              .reactants({ o3 })
-                              .products({ yields(o, 1), yields(o2, 1) })
-                              .rate_constant(UserDefinedRateConstant({ .label_ = "jO3b" }))
-                              .phase(gas_phase);
+                        .reactants({ o3 })
+                        .products({ yields(o, 1), yields(o2, 1) })
+                        .rate_constant(UserDefinedRateConstant({ .label_ = "jO3b" }))
+                        .phase(gas_phase);
 
-  RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{
-    System(SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<Process>{ r1, r2, r3, r4, photo_1, photo_2, photo_3 },
-    RosenbrockSolverParameters::three_stage_rosenbrock_parameters(3, false)
-  };
+  auto params = RosenbrockSolverParameters::three_stage_rosenbrock_parameters(3, false);
+  params.relative_tolerance_ = 1e-3;
+  params.absolute_tolerance_ = params.relative_tolerance_ * 1e-4;
+
+  RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{ System(SystemParameters{ .gas_phase_ = gas_phase }),
+                                                       std::vector<Process>{ r1, r2, r3, r4, photo_1, photo_2, photo_3 },
+                                                       params };
 
   State<Matrix> state = solver.GetState();
 
   std::vector<double> concentrations{ 1, 1, 1, 2, 2, 2, 3, 3, 3 };
-  state.variables_[0] = concentrations;
-
-  std::transform(concentrations.begin(), concentrations.end(), concentrations.begin(), [](auto& c){return c*2;});
-  state.variables_[1] = concentrations;
-
-  std::transform(concentrations.begin(), concentrations.end(), concentrations.begin(), [](auto& c){return c/4;});
-  state.variables_[2] = concentrations;
 
-  state.SetCustomRateParameter("jO2",  {0.01, 0.01, 0.01});
-  state.SetCustomRateParameter("jO3a", {0.02, 0.02, 0.02});
-  state.SetCustomRateParameter("jO3b", {0.03, 0.03, 0.03});
+  // mol m-3
+  double ar_concentration = 0.0334;
+  double co2_concentration = 0.00146;
+  double h2o_concentration = 1.19E-05;
+  double o2_concentration = 0.75;
+  double o3_concentration = 8.1E-06;
+
+  // Set concentrations for each element with the same scaling factor
+  state.SetConcentration(ar, std::vector<double>{ ar_concentration, ar_concentration * 2, ar_concentration * 0.5 });
+  state.SetConcentration(co2, std::vector<double>{ co2_concentration, co2_concentration * 2, co2_concentration * 0.5 });
+  state.SetConcentration(h2o, std::vector<double>{ h2o_concentration, h2o_concentration * 2, h2o_concentration * 0.5 });
+  state.SetConcentration(o2, std::vector<double>{ o2_concentration, o2_concentration * 2, o2_concentration * 0.5 });
+  state.SetConcentration(o3, std::vector<double>{ o3_concentration, o3_concentration * 2, o3_concentration * 0.5 });
+
+  state.SetConcentration(o1d, std::vector<double>(3, 0));
+  state.SetConcentration(o, std::vector<double>(3, 0));
+  state.SetConcentration(n2, std::vector<double>(3, 1e-10));
+
+  state.SetConcentration(m, std::vector<double>(3, 2.7e25));
+
+  double jo2 = 1.2e-14;
+  double jo3a = 2.07e-5;
+  double jo3b = 4.95e-4;
+  state.SetCustomRateParameter("jO2", std::vector<double>(3, jo2));
+  state.SetCustomRateParameter("jO3a", std::vector<double>(3, jo3a));
+  state.SetCustomRateParameter("jO3b", std::vector<double>(3, jo3b));
 
   state.conditions_[0].temperature_ = 284.19;  // [K]
   state.conditions_[0].pressure_ = 101245.0;   // [Pa]
@@ -179,7 +189,7 @@ int main(){
   state.conditions_[2].pressure_ = 101398.0;   // [Pa]
 
   // choose a timestep and print the initial state
-  double time_step = 500;  // s
+  double time_step = 200;  // s
 
   print_header();
   print_state(0, state);
@@ -197,7 +207,7 @@ int main(){
     {
       auto result = solver.Solve(time_step - elapsed_solve_time, state);
       elapsed_solve_time = result.final_time_;
-      state.variables_[0] = result.result_.AsVector();
+      state.variables_ = result.result_;
     }
 
     print_state(time_step * (i + 1), state);

From 76054477e638dfdb65592454203873811bb8dcc7 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 27 Sep 2023 15:10:43 -0500
Subject: [PATCH 040/318] removing dumb way of setting state

---
 test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp   | 2 +-
 .../test_rate_constants_no_user_defined_with_config.cpp         | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp b/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
index eb77d5cef..8aedec01c 100644
--- a/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
+++ b/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
@@ -174,7 +174,7 @@ int main(const int argc, const char* argv[])
       auto result = solver.Solve(time_step - elapsed_solve_time, state);
       elapsed_solve_time = result.final_time_;
       // std::cout << "solver state: " << StateToString(result.state_) << std::endl;
-      state.variables_[0] = result.result_.AsVector();
+      state.variables_ = result.result_;
     }
 
     print_state(time_step * (i + 1), state);
diff --git a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
index f11fab469..889603dd2 100644
--- a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
+++ b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
@@ -112,7 +112,7 @@ int main(const int argc, const char* argv[])
       auto result = solver.Solve(time_step - elapsed_solve_time, state);
       elapsed_solve_time = result.final_time_;
       // std::cout << "solver state: " << StateToString(result.state_) << std::endl;
-      state.variables_[0] = result.result_.AsVector();
+      state.variables_ = result.result_;
     }
 
     print_state(time_step * (i + 1), state);

From d568e84624974c9ee981e006e8d18c5e28ce324d Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 27 Sep 2023 15:35:28 -0500
Subject: [PATCH 041/318] finished the tutorial

---
 .../source/user_guide/multiple_grid_cells.rst | 81 +++++++++++++++++++
 .../user_guide/rate_constant_tutorial.rst     |  7 +-
 test/tutorial/test_multiple_grid_cells.cpp    | 14 +---
 3 files changed, 89 insertions(+), 13 deletions(-)

diff --git a/docs/source/user_guide/multiple_grid_cells.rst b/docs/source/user_guide/multiple_grid_cells.rst
index 1a559ee96..c15912f9d 100644
--- a/docs/source/user_guide/multiple_grid_cells.rst
+++ b/docs/source/user_guide/multiple_grid_cells.rst
@@ -22,6 +22,87 @@ We will use three grid cells. The second grid cells will have concentrations twi
 The third grid cell will have concentrations half as large as the first grid cell. Initial conditions are things
 that might be found in the atmosphere and the photolysis values are typical photolysis rates at noon.
 
+If you're looking for a copy and paste, choose
+the appropriate tab below and be on your way! Otherwise, stick around for a line by line explanation.
+
+.. tabs::
+
+    .. tab:: Build the Mechanism with the API
+
+      .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
+        :language: cpp
+        
+Line-by-line explanation
+------------------------
+
+This mechanism only needs the arrhenius rate constant, the user defined rate constant (for photolysis rates)
+and the rosenbrock solver.
+
+.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
+  :language: cpp
+  :lines: 1-9
+
+After that, we'll use the ``micm`` namespace and setup a template alias so that we can instantiate the 
+rosenbrock solver.
+
+.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
+  :language: cpp
+  :lines: 11-18
+
+To create a :cpp:class:`micm::RosenbrockSolver`, we have to define a chemical system (:cpp:class:`micm::System`)
+and our reactions, which will be a vector of :cpp:class:`micm::Process` We will use the species to define these as
+well as a :cpp:class:`micm::Phase`.
+
+.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
+  :language: cpp
+  :lines: 84-94
+
+
+With the species and gas phase, we can define all of our reactions
+
+.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
+  :language: cpp
+  :lines: 96-138
+
+
+Now we can define our RosenbrockSolver. This time we'll form the reactions and chemical system in place.
+Also, notice the ``false`` in our :cpp:class:`micm::RosenbrockSolverParameters`. This tells the solver
+not to reorder the state variables. The reordering is an optimization that can minizie fill-in for some 
+of the linear algebra operations. For this example, it's turned off so that the order of the state matches
+the order the species are added to the gas phase.
+
+.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
+  :language: cpp
+  :lines: 140-143
+
+
+Now we need to get a state and set the concentations of each of the species. In the 
+":ref:`Rate constants set concentations`" section of the rate constants tutorial, 
+we used a ``std::unordered_map<std::string, std::vector<double>>`` 
+to set the concentrations. Here we will set the concentations by providing the :cpp:class:`micm::Species` objects.
+
+.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
+  :language: cpp
+  :lines: 145-165
+
+Then we set the photolysis rates by creating a vector that is 3 elements long, one for each grid cell.
+
+.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
+  :language: cpp
+  :lines: 167-172
+
+And lastly set the temperature and pressure for each grid cell.
+
+.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
+  :language: cpp
+  :lines: 174-179
+
+Now we are ready to run the simulation.
+
+.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
+  :language: cpp
+  :lines: 181-204
+
 
 And these are the results.
 
diff --git a/docs/source/user_guide/rate_constant_tutorial.rst b/docs/source/user_guide/rate_constant_tutorial.rst
index a4ae3cf0d..92b2e8874 100644
--- a/docs/source/user_guide/rate_constant_tutorial.rst
+++ b/docs/source/user_guide/rate_constant_tutorial.rst
@@ -126,6 +126,11 @@ can be found in the :cpp:class:`micm::RosenbrockSolverParameters`
 The rosenbrock solver will provide us a state, which we can use to set the concentrations,
 custom rate parameters, and temperature and pressure
 
+.. _Rate constants set concentations:
+
+Initializing the state
+^^^^^^^^^^^^^^^^^^^^^^
+
 .. tabs::
 
     .. tab:: Build the Mechanism with the API
@@ -141,7 +146,7 @@ custom rate parameters, and temperature and pressure
           :lines: 75-93
 
 
-Finally, we are ready to pick a timestep ans solve the system.
+Finally, we are ready to pick a timestep and solve the system.
 
   .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
     :language: cpp
diff --git a/test/tutorial/test_multiple_grid_cells.cpp b/test/tutorial/test_multiple_grid_cells.cpp
index 361f7db11..86097f706 100644
--- a/test/tutorial/test_multiple_grid_cells.cpp
+++ b/test/tutorial/test_multiple_grid_cells.cpp
@@ -5,11 +5,6 @@
 
 // Each rate constant is in its own header file
 #include <micm/process/arrhenius_rate_constant.hpp>
-#include <micm/process/branched_rate_constant.hpp>
-#include <micm/process/surface_rate_constant.hpp>
-#include <micm/process/ternary_chemical_activation_rate_constant.hpp>
-#include <micm/process/troe_rate_constant.hpp>
-#include <micm/process/tunneling_rate_constant.hpp>
 #include <micm/process/user_defined_rate_constant.hpp>
 #include <micm/solver/rosenbrock.hpp>
 
@@ -142,18 +137,13 @@ int main()
                         .rate_constant(UserDefinedRateConstant({ .label_ = "jO3b" }))
                         .phase(gas_phase);
 
-  auto params = RosenbrockSolverParameters::three_stage_rosenbrock_parameters(3, false);
-  params.relative_tolerance_ = 1e-3;
-  params.absolute_tolerance_ = params.relative_tolerance_ * 1e-4;
-
   RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{ System(SystemParameters{ .gas_phase_ = gas_phase }),
                                                        std::vector<Process>{ r1, r2, r3, r4, photo_1, photo_2, photo_3 },
-                                                       params };
+                                                       RosenbrockSolverParameters::three_stage_rosenbrock_parameters(
+                                                           3, false) };
 
   State<Matrix> state = solver.GetState();
 
-  std::vector<double> concentrations{ 1, 1, 1, 2, 2, 2, 3, 3, 3 };
-
   // mol m-3
   double ar_concentration = 0.0334;
   double co2_concentration = 0.00146;

From fd3b24527066090a53ca19721ca828a770fb1ae5 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 27 Sep 2023 15:44:21 -0500
Subject: [PATCH 042/318] removing useless list

---
 docs/source/user_guide/index.rst | 4 ----
 1 file changed, 4 deletions(-)

diff --git a/docs/source/user_guide/index.rst b/docs/source/user_guide/index.rst
index 30071eab6..e579327ff 100644
--- a/docs/source/user_guide/index.rst
+++ b/docs/source/user_guide/index.rst
@@ -10,10 +10,6 @@ If you happen to find our examples are lacking for your needs, please,
 
 
 
-1. :ref:`Rate constants`
-2. :ref:`User defined rate constants`
-
-
 .. toctree::
    :maxdepth: 1
    :caption: Contents:

From 9a5e0c107d431a0e90fbb8f7d3ee72e44f730713 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Wed, 27 Sep 2023 14:11:35 -0700
Subject: [PATCH 043/318] add linear solver policy to RosenbrockSolver

---
 include/micm/solver/rosenbrock.hpp            |  6 ++-
 include/micm/solver/rosenbrock.inl            | 54 +++++++++----------
 test/integration/e5.hpp                       |  8 +--
 test/integration/hires.hpp                    |  6 +--
 test/integration/oregonator.hpp               |  8 +--
 .../regression_test_dforce_dy.cpp             | 14 ++---
 .../regression_test_p_force.cpp               | 28 +++++-----
 .../regression_test_solve.cpp                 | 22 ++++----
 test/regression/RosenbrockChapman/util.hpp    | 30 +++++------
 test/unit/solver/test_rosenbrock.cpp          | 26 ++++-----
 10 files changed, 102 insertions(+), 100 deletions(-)

diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index fc57d2f5e..1a40b9ae0 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -142,7 +142,9 @@ namespace micm
   /// @brief An implementation of the Rosenbrock ODE solver
   ///
   /// The template parameter is the type of matrix to use
-  template<template<class> class MatrixPolicy = Matrix, template<class> class SparseMatrixPolicy = SparseMatrix>
+  template<template<class> class MatrixPolicy = Matrix,
+           template<class> class SparseMatrixPolicy = SparseMatrix,
+           class LinearSolverPolicy = LinearSolver<double, SparseMatrix>>
   class RosenbrockSolver
   {
    public:
@@ -180,7 +182,7 @@ namespace micm
     ProcessSet process_set_;
     SolverStats stats_;
     SparseMatrixPolicy<double> jacobian_;
-    LinearSolver<double, SparseMatrixPolicy> linear_solver_;
+    LinearSolverPolicy linear_solver_;
     std::vector<std::size_t> jacobian_diagonal_elements_;
     size_t N_{};
 
diff --git a/include/micm/solver/rosenbrock.inl b/include/micm/solver/rosenbrock.inl
index 57d347cb5..f8621d526 100644
--- a/include/micm/solver/rosenbrock.inl
+++ b/include/micm/solver/rosenbrock.inl
@@ -366,8 +366,8 @@ namespace micm
   //
   // RosenbrockSolver
   //
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>::SolverStats::Reset()
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::SolverStats::Reset()
   {
     function_calls = 0;
     jacobian_updates = 0;
@@ -396,8 +396,8 @@ namespace micm
     return "";
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-  inline RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>::RosenbrockSolver()
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+  inline RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::RosenbrockSolver()
       : system_(),
         processes_(),
         parameters_(RosenbrockSolverParameters::three_stage_rosenbrock_parameters()),
@@ -411,8 +411,8 @@ namespace micm
   {
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-  inline RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>::RosenbrockSolver(
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+  inline RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::RosenbrockSolver(
       const System& system,
       const std::vector<Process>& processes,
       const RosenbrockSolverParameters& parameters)
@@ -451,14 +451,14 @@ namespace micm
       builder = builder.with_element(i, i);
 
     jacobian_ = builder;
-    linear_solver_ = LinearSolver<double, SparseMatrixPolicy>(jacobian_, 1.0e-30);
+    linear_solver_ = LinearSolverPolicy(jacobian_, 1.0e-30);
     process_set_.SetJacobianFlatIds(jacobian_);
     for (std::size_t i = 0; i < jacobian_[0].size(); ++i)
       jacobian_diagonal_elements_.push_back(jacobian_.VectorIndex(0, i, i));
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-  inline State<MatrixPolicy> RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>::GetState() const
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+  inline State<MatrixPolicy> RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::GetState() const
   {
     std::vector<std::string> param_labels{};
     for (const auto& process : processes_)
@@ -471,11 +471,11 @@ namespace micm
                                                        .number_of_rate_constants_ = processes_.size() } };
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-  inline typename RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>::SolverResult
-  RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>::Solve(double time_step, State<MatrixPolicy>& state) noexcept
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+  inline typename RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::SolverResult
+  RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::Solve(double time_step, State<MatrixPolicy>& state) noexcept
   {
-    typename RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>::SolverResult result{};
+    typename RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::SolverResult result{};
     result.state_ = SolverState::Running;
     MatrixPolicy<double> Y(state.variables_);
     MatrixPolicy<double> Ynew(Y.size(), Y[0].size(), 0.0);
@@ -646,8 +646,8 @@ namespace micm
     return result;
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>::CalculateForcing(
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::CalculateForcing(
       const MatrixPolicy<double>& rate_constants,
       const MatrixPolicy<double>& number_densities,
       MatrixPolicy<double>& forcing)
@@ -657,8 +657,8 @@ namespace micm
     stats_.function_calls += 1;
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>::AlphaMinusJacobian(
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::AlphaMinusJacobian(
       SparseMatrixPolicy<double>& jacobian,
       const double& alpha) const
     requires(!VectorizableSparse<SparseMatrixPolicy<double>>)
@@ -673,8 +673,8 @@ namespace micm
     }
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>::AlphaMinusJacobian(
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::AlphaMinusJacobian(
       SparseMatrixPolicy<double>& jacobian,
       const double& alpha) const
     requires(VectorizableSparse<SparseMatrixPolicy<double>>)
@@ -691,8 +691,8 @@ namespace micm
     }
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>::CalculateJacobian(
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::CalculateJacobian(
       const MatrixPolicy<double>& rate_constants,
       const MatrixPolicy<double>& number_densities,
       SparseMatrixPolicy<double>& jacobian)
@@ -702,14 +702,14 @@ namespace micm
     stats_.jacobian_updates += 1;
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>::UpdateState(State<MatrixPolicy>& state)
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::UpdateState(State<MatrixPolicy>& state)
   {
     Process::UpdateState(processes_, state);
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>::LinearFactor(
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::LinearFactor(
       double& H,
       const double gamma,
       bool& singular,
@@ -736,8 +736,8 @@ namespace micm
     }
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-  inline double RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>::NormalizedError(
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+  inline double RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::NormalizedError(
       const MatrixPolicy<double>& Y,
       const MatrixPolicy<double>& Ynew,
       const MatrixPolicy<double>& errors)
diff --git a/test/integration/e5.hpp b/test/integration/e5.hpp
index abb6a6524..5b921cf8b 100644
--- a/test/integration/e5.hpp
+++ b/test/integration/e5.hpp
@@ -2,8 +2,8 @@
 
 #include <micm/solver/rosenbrock.hpp>
 
-template<template<class> class MatrixPolicy = micm::Matrix, template<class> class SparseMatrixPolicy = micm::SparseMatrix>
-class E5 : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>
+template<template<class> class MatrixPolicy = micm::Matrix, template<class> class SparseMatrixPolicy = micm::SparseMatrix, class LinearSolverPolicy = micm::LinearSolver<double, micm::SparseMatrix>>
+class E5 : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
 {
  public:
   /// @brief Builds a Rosenbrock solver for the given system, processes, and solver parameters
@@ -12,7 +12,7 @@ class E5 : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>
   E5(const micm::System& system,
      const std::vector<micm::Process>& processes,
      const micm::RosenbrockSolverParameters& parameters)
-      : micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>()
+      : micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>()
   {
     this->system_ = system;
     this->processes_ = processes;
@@ -29,7 +29,7 @@ class E5 : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>
     this->jacobian_ = builder;
     for (std::size_t i = 0; i < this->jacobian_[0].size(); ++i)
       this->jacobian_diagonal_elements_.push_back(this->jacobian_.VectorIndex(0, i, i));
-    this->linear_solver_ = micm::LinearSolver<double, SparseMatrixPolicy>(this->jacobian_, 1.0e-30);
+    this->linear_solver_ = LinearSolverPolicy(this->jacobian_, 1.0e-30);
   }
 
   ~E5()
diff --git a/test/integration/hires.hpp b/test/integration/hires.hpp
index ef3ccc296..3ad2d47dd 100644
--- a/test/integration/hires.hpp
+++ b/test/integration/hires.hpp
@@ -2,8 +2,8 @@
 
 #include <micm/solver/rosenbrock.hpp>
 
-template<template<class> class MatrixPolicy = micm::Matrix, template<class> class SparseMatrixPolicy = micm::SparseMatrix>
-class HIRES : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>
+template<template<class> class MatrixPolicy = micm::Matrix, template<class> class SparseMatrixPolicy = micm::SparseMatrix, class LinearSolverPolicy = micm::LinearSolver<double, micm::SparseMatrix>>
+class HIRES : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
 {
  public:
   /// @brief Builds a Rosenbrock solver for the given system, processes, and solver parameters
@@ -30,7 +30,7 @@ class HIRES : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>
     this->jacobian_ = builder;
     for (std::size_t i = 0; i < this->jacobian_[0].size(); ++i)
       this->jacobian_diagonal_elements_.push_back(this->jacobian_.VectorIndex(0, i, i));
-    this->linear_solver_ = micm::LinearSolver<double, SparseMatrixPolicy>(this->jacobian_, 1.0e-30);
+    this->linear_solver_ = LinearSolverPolicy(this->jacobian_, 1.0e-30);
   }
 
   ~HIRES()
diff --git a/test/integration/oregonator.hpp b/test/integration/oregonator.hpp
index 9a4d8e072..cd2f0bae2 100644
--- a/test/integration/oregonator.hpp
+++ b/test/integration/oregonator.hpp
@@ -2,8 +2,8 @@
 
 #include <micm/solver/rosenbrock.hpp>
 
-template<template<class> class MatrixPolicy = micm::Matrix, template<class> class SparseMatrixPolicy = micm::SparseMatrix>
-class Oregonator : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>
+template<template<class> class MatrixPolicy = micm::Matrix, template<class> class SparseMatrixPolicy = micm::SparseMatrix, class LinearSolverPolicy = micm::LinearSolver<double, micm::SparseMatrix>>
+class Oregonator : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
 {
  public:
   /// @brief Builds a Rosenbrock solver for the given system, processes, and solver parameters
@@ -13,7 +13,7 @@ class Oregonator : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolic
       const micm::System& system,
       const std::vector<micm::Process>& processes,
       const micm::RosenbrockSolverParameters& parameters)
-      : micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>()
+      : micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>()
   {
     this->system_ = system;
     this->processes_ = processes;
@@ -30,7 +30,7 @@ class Oregonator : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolic
     this->jacobian_ = builder;
     for (std::size_t i = 0; i < this->jacobian_[0].size(); ++i)
       this->jacobian_diagonal_elements_.push_back(this->jacobian_.VectorIndex(0, i, i));
-    this->linear_solver_ = micm::LinearSolver<double, SparseMatrixPolicy>(this->jacobian_, 1.0e-30);
+    this->linear_solver_ = LinearSolverPolicy(this->jacobian_, 1.0e-30);
   }
 
   ~Oregonator()
diff --git a/test/regression/RosenbrockChapman/regression_test_dforce_dy.cpp b/test/regression/RosenbrockChapman/regression_test_dforce_dy.cpp
index d87161908..49335c002 100644
--- a/test/regression/RosenbrockChapman/regression_test_dforce_dy.cpp
+++ b/test/regression/RosenbrockChapman/regression_test_dforce_dy.cpp
@@ -10,7 +10,7 @@
 #include "chapman_ode_solver.hpp"
 #include "util.hpp"
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
 void testJacobian()
 {
   std::random_device rnd_device;
@@ -18,7 +18,7 @@ void testJacobian()
   std::lognormal_distribution dist{ -2.0, 4.0 };
 
   micm::ChapmanODESolver fixed_solver{};
-  auto solver = getThreeStageMultiCellChapmanSolver<MatrixPolicy, SparseMatrixPolicy>(3);
+  auto solver = getThreeStageMultiCellChapmanSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(3);
 
   auto state = solver.GetState();
 
@@ -75,13 +75,13 @@ using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorO
 
 TEST(RegressionRosenbrock, Jacobian)
 {
-  testJacobian<DenseMatrix, SparseMatrix>();
+  testJacobian<DenseMatrix, SparseMatrix, micm::LinearSolver<double, SparseMatrix>>();
 }
 
 TEST(RegressionRosenbrock, VectorJacobian)
 {
-  testJacobian<Group1VectorMatrix, Group1SparseVectorMatrix>();
-  testJacobian<Group2VectorMatrix, Group2SparseVectorMatrix>();
-  testJacobian<Group3VectorMatrix, Group3SparseVectorMatrix>();
-  testJacobian<Group4VectorMatrix, Group4SparseVectorMatrix>();
+  testJacobian<Group1VectorMatrix, Group1SparseVectorMatrix, micm::LinearSolver<double, Group1SparseVectorMatrix>>();
+  testJacobian<Group2VectorMatrix, Group2SparseVectorMatrix, micm::LinearSolver<double, Group2SparseVectorMatrix>>();
+  testJacobian<Group3VectorMatrix, Group3SparseVectorMatrix, micm::LinearSolver<double, Group3SparseVectorMatrix>>();
+  testJacobian<Group4VectorMatrix, Group4SparseVectorMatrix, micm::LinearSolver<double, Group4SparseVectorMatrix>>();
 }
\ No newline at end of file
diff --git a/test/regression/RosenbrockChapman/regression_test_p_force.cpp b/test/regression/RosenbrockChapman/regression_test_p_force.cpp
index e19e724ee..08a0122ce 100644
--- a/test/regression/RosenbrockChapman/regression_test_p_force.cpp
+++ b/test/regression/RosenbrockChapman/regression_test_p_force.cpp
@@ -10,11 +10,11 @@
 #include "chapman_ode_solver.hpp"
 #include "util.hpp"
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
 void testRateConstants()
 {
   micm::ChapmanODESolver fixed_solver{};
-  auto solver = getThreeStageMultiCellChapmanSolver<MatrixPolicy, SparseMatrixPolicy>(3);
+  auto solver = getThreeStageMultiCellChapmanSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(3);
 
   auto state = solver.GetState();
   auto fixed_state = fixed_solver.GetState();
@@ -46,7 +46,7 @@ void testRateConstants()
   }
 }
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
 void testForcing()
 {
   std::random_device rnd_device;
@@ -54,7 +54,7 @@ void testForcing()
   std::lognormal_distribution dist(-2.0, 2.0);
 
   micm::ChapmanODESolver fixed_solver{};
-  auto solver = getThreeStageMultiCellChapmanSolver<MatrixPolicy, SparseMatrixPolicy>(3);
+  auto solver = getThreeStageMultiCellChapmanSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(3);
 
   auto state = solver.GetState();
 
@@ -110,26 +110,26 @@ using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorO
 
 TEST(RegressionRosenbrock, RateConstants)
 {
-  testRateConstants<DenseMatrix, SparseMatrix>();
+  testRateConstants<DenseMatrix, SparseMatrix, micm::LinearSolver<double, SparseMatrix>>();
 }
 
 TEST(RegressionRosenbrock, VectorRateConstants)
 {
-  testRateConstants<Group1VectorMatrix, Group1SparseVectorMatrix>();
-  testRateConstants<Group2VectorMatrix, Group2SparseVectorMatrix>();
-  testRateConstants<Group3VectorMatrix, Group3SparseVectorMatrix>();
-  testRateConstants<Group4VectorMatrix, Group4SparseVectorMatrix>();
+  testRateConstants<Group1VectorMatrix, Group1SparseVectorMatrix, micm::LinearSolver<double, Group1SparseVectorMatrix>>();
+  testRateConstants<Group2VectorMatrix, Group2SparseVectorMatrix, micm::LinearSolver<double, Group2SparseVectorMatrix>>();
+  testRateConstants<Group3VectorMatrix, Group3SparseVectorMatrix, micm::LinearSolver<double, Group3SparseVectorMatrix>>();
+  testRateConstants<Group4VectorMatrix, Group4SparseVectorMatrix, micm::LinearSolver<double, Group4SparseVectorMatrix>>();
 }
 
 TEST(RegressionRosenbrock, Forcing)
 {
-  testForcing<DenseMatrix, SparseMatrix>();
+  testForcing<DenseMatrix, SparseMatrix, micm::LinearSolver<double, SparseMatrix>>();
 }
 
 TEST(RegressionRosenbrock, VectorForcing)
 {
-  testForcing<Group1VectorMatrix, Group1SparseVectorMatrix>();
-  testForcing<Group2VectorMatrix, Group2SparseVectorMatrix>();
-  testForcing<Group3VectorMatrix, Group3SparseVectorMatrix>();
-  testForcing<Group4VectorMatrix, Group4SparseVectorMatrix>();
+  testForcing<Group1VectorMatrix, Group1SparseVectorMatrix, micm::LinearSolver<double, Group1SparseVectorMatrix>>();
+  testForcing<Group2VectorMatrix, Group2SparseVectorMatrix, micm::LinearSolver<double, Group2SparseVectorMatrix>>();
+  testForcing<Group3VectorMatrix, Group3SparseVectorMatrix, micm::LinearSolver<double, Group3SparseVectorMatrix>>();
+  testForcing<Group4VectorMatrix, Group4SparseVectorMatrix, micm::LinearSolver<double, Group4SparseVectorMatrix>>();
 }
\ No newline at end of file
diff --git a/test/regression/RosenbrockChapman/regression_test_solve.cpp b/test/regression/RosenbrockChapman/regression_test_solve.cpp
index bed2a90f6..a98c6d1da 100644
--- a/test/regression/RosenbrockChapman/regression_test_solve.cpp
+++ b/test/regression/RosenbrockChapman/regression_test_solve.cpp
@@ -10,8 +10,8 @@
 #include "chapman_ode_solver.hpp"
 #include "util.hpp"
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-void testSolve(micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy> solver, double relative_tolerance = 1.0e-8)
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+void testSolve(micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> solver, double relative_tolerance = 1.0e-8)
 {
   auto get_double = std::bind(std::lognormal_distribution(-2.0, 2.0), std::default_random_engine());
   micm::ChapmanODESolver fixed_solver{};
@@ -91,45 +91,45 @@ using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorO
 
 TEST(RegressionRosenbrock, TwoStageSolve)
 {
-  auto solver = getTwoStageMultiCellChapmanSolver<DenseMatrix, SparseMatrix>(3);
+  auto solver = getTwoStageMultiCellChapmanSolver<DenseMatrix, SparseMatrix, micm::LinearSolver<double, SparseMatrix>>(3);
   testSolve(solver, 1.0e-2);
 }
 
 TEST(RegressionRosenbrock, ThreeStageSolve)
 {
-  auto solver = getThreeStageMultiCellChapmanSolver<DenseMatrix, SparseMatrix>(3);
+  auto solver = getThreeStageMultiCellChapmanSolver<DenseMatrix, SparseMatrix, micm::LinearSolver<double, SparseMatrix>>(3);
   testSolve(solver);
 }
 
 TEST(RegressionRosenbrock, FourStageSolve)
 {
-  auto solver = getFourStageMultiCellChapmanSolver<DenseMatrix, SparseMatrix>(3);
+  auto solver = getFourStageMultiCellChapmanSolver<DenseMatrix, SparseMatrix, micm::LinearSolver<double, SparseMatrix>>(3);
   testSolve(solver, 1.0e-4);
 }
 
 TEST(RegressionRosenbrock, FourStageDASolve)
 {
-  auto solver = getFourStageDAMultiCellChapmanSolver<DenseMatrix, SparseMatrix>(3);
+  auto solver = getFourStageDAMultiCellChapmanSolver<DenseMatrix, SparseMatrix, micm::LinearSolver<double, SparseMatrix>>(3);
   testSolve(solver, 1.0e-4);
 }
 
 TEST(RegressionRosenbrock, SixStageDASolve)
 {
-  auto solver = getSixStageDAMultiCellChapmanSolver<DenseMatrix, SparseMatrix>(3);
+  auto solver = getSixStageDAMultiCellChapmanSolver<DenseMatrix, SparseMatrix, micm::LinearSolver<double, SparseMatrix>>(3);
   testSolve(solver, 1.0e-4);
 }
 
 TEST(RegressionRosenbrock, VectorSolve)
 {
-  auto solver1 = getThreeStageMultiCellChapmanSolver<Group1VectorMatrix, Group1SparseVectorMatrix>(3);
+  auto solver1 = getThreeStageMultiCellChapmanSolver<Group1VectorMatrix, Group1SparseVectorMatrix, micm::LinearSolver<double, Group1SparseVectorMatrix>>(3);
   testSolve(solver1);
 
-  auto solver2 = getThreeStageMultiCellChapmanSolver<Group2VectorMatrix, Group2SparseVectorMatrix>(3);
+  auto solver2 = getThreeStageMultiCellChapmanSolver<Group2VectorMatrix, Group2SparseVectorMatrix, micm::LinearSolver<double, Group2SparseVectorMatrix>>(3);
   testSolve(solver2);
 
-  auto solver3 = getThreeStageMultiCellChapmanSolver<Group3VectorMatrix, Group3SparseVectorMatrix>(3);
+  auto solver3 = getThreeStageMultiCellChapmanSolver<Group3VectorMatrix, Group3SparseVectorMatrix, micm::LinearSolver<double, Group3SparseVectorMatrix>>(3);
   testSolve(solver3);
 
-  auto solver4 = getThreeStageMultiCellChapmanSolver<Group4VectorMatrix, Group4SparseVectorMatrix>(3);
+  auto solver4 = getThreeStageMultiCellChapmanSolver<Group4VectorMatrix, Group4SparseVectorMatrix, micm::LinearSolver<double, Group4SparseVectorMatrix>>(3);
   testSolve(solver4);
 }
\ No newline at end of file
diff --git a/test/regression/RosenbrockChapman/util.hpp b/test/regression/RosenbrockChapman/util.hpp
index 4aa974243..ec99671a7 100644
--- a/test/regression/RosenbrockChapman/util.hpp
+++ b/test/regression/RosenbrockChapman/util.hpp
@@ -79,65 +79,65 @@ std::vector<micm::Process> createProcesses(const micm::Phase& gas_phase)
   return { photo_1, photo_2, photo_3, r1, r2, r3, r4 };
 }
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy> getTwoStageMultiCellChapmanSolver(const size_t number_of_grid_cells)
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> getTwoStageMultiCellChapmanSolver(const size_t number_of_grid_cells)
 {
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
 
-  return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>(
+  return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
       micm::RosenbrockSolverParameters::two_stage_rosenbrock_parameters(number_of_grid_cells));
 }
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy> getThreeStageMultiCellChapmanSolver(
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> getThreeStageMultiCellChapmanSolver(
     const size_t number_of_grid_cells)
 {
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
 
-  return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>(
+  return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
       micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells));
 }
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy> getFourStageMultiCellChapmanSolver(
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> getFourStageMultiCellChapmanSolver(
     const size_t number_of_grid_cells)
 {
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
 
-  return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>(
+  return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
       micm::RosenbrockSolverParameters::four_stage_rosenbrock_parameters(number_of_grid_cells));
 }
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy> getFourStageDAMultiCellChapmanSolver(
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> getFourStageDAMultiCellChapmanSolver(
     const size_t number_of_grid_cells)
 {
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
 
-  return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>(
+  return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
       micm::RosenbrockSolverParameters::four_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells));
 }
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy> getSixStageDAMultiCellChapmanSolver(
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> getSixStageDAMultiCellChapmanSolver(
     const size_t number_of_grid_cells)
 {
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
 
-  return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>(
+  return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
       micm::RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells));
diff --git a/test/unit/solver/test_rosenbrock.cpp b/test/unit/solver/test_rosenbrock.cpp
index 0c8ad8b80..6132edc07 100644
--- a/test/unit/solver/test_rosenbrock.cpp
+++ b/test/unit/solver/test_rosenbrock.cpp
@@ -7,8 +7,8 @@
 #include <micm/util/sparse_matrix_vector_ordering.hpp>
 #include <micm/util/vector_matrix.hpp>
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy> getSolver(std::size_t number_of_grid_cells)
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> getSolver(std::size_t number_of_grid_cells)
 {
   // ---- foo  bar  baz  quz  quuz
   // foo   0    1    2    -    -
@@ -40,7 +40,7 @@ micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy> getSolver(std::size_t n
   micm::Process r3 = micm::Process::create().reactants({ quz }).products({}).phase(gas_phase).rate_constant(
       micm::ArrheniusRateConstant({ .A_ = 3.5e-6 }));
 
-  return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>(
+  return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::vector<micm::Process>{ r1, r2, r3 },
       micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells, false));
@@ -49,10 +49,10 @@ micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy> getSolver(std::size_t n
 template<class T>
 using SparseMatrix = micm::SparseMatrix<T>;
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
 void testAlphaMinusJacobian(std::size_t number_of_grid_cells)
 {
-  auto solver = getSolver<MatrixPolicy, SparseMatrixPolicy>(number_of_grid_cells);
+  auto solver = getSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(number_of_grid_cells);
   auto jacobian = solver.jacobian_;
 
   EXPECT_EQ(jacobian.size(), number_of_grid_cells);
@@ -98,10 +98,10 @@ void testAlphaMinusJacobian(std::size_t number_of_grid_cells)
 
 TEST(RosenbrockSolver, StandardAlphaMinusJacobian)
 {
-  testAlphaMinusJacobian<micm::Matrix, SparseMatrix>(1);
-  testAlphaMinusJacobian<micm::Matrix, SparseMatrix>(2);
-  testAlphaMinusJacobian<micm::Matrix, SparseMatrix>(3);
-  testAlphaMinusJacobian<micm::Matrix, SparseMatrix>(4);
+  testAlphaMinusJacobian<micm::Matrix, SparseMatrix, micm::LinearSolver<double, SparseMatrix>>(1);
+  testAlphaMinusJacobian<micm::Matrix, SparseMatrix, micm::LinearSolver<double, SparseMatrix>>(2);
+  testAlphaMinusJacobian<micm::Matrix, SparseMatrix, micm::LinearSolver<double, SparseMatrix>>(3);
+  testAlphaMinusJacobian<micm::Matrix, SparseMatrix, micm::LinearSolver<double, SparseMatrix>>(4);
 }
 
 template<class T>
@@ -124,8 +124,8 @@ using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorO
 
 TEST(RosenbrockSolver, DenseAlphaMinusJacobian)
 {
-  testAlphaMinusJacobian<Group1VectorMatrix, Group1SparseVectorMatrix>(1);
-  testAlphaMinusJacobian<Group2VectorMatrix, Group2SparseVectorMatrix>(4);
-  testAlphaMinusJacobian<Group3VectorMatrix, Group3SparseVectorMatrix>(3);
-  testAlphaMinusJacobian<Group4VectorMatrix, Group4SparseVectorMatrix>(2);
+  testAlphaMinusJacobian<Group1VectorMatrix, Group1SparseVectorMatrix, micm::LinearSolver<double, Group1SparseVectorMatrix>>(1);
+  testAlphaMinusJacobian<Group2VectorMatrix, Group2SparseVectorMatrix, micm::LinearSolver<double, Group2SparseVectorMatrix>>(4);
+  testAlphaMinusJacobian<Group3VectorMatrix, Group3SparseVectorMatrix, micm::LinearSolver<double, Group3SparseVectorMatrix>>(3);
+  testAlphaMinusJacobian<Group4VectorMatrix, Group4SparseVectorMatrix, micm::LinearSolver<double, Group4SparseVectorMatrix>>(2);
 }
\ No newline at end of file

From 9dab4d25649b1e7a023c60f01ca56e169594168b Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 27 Sep 2023 16:13:16 -0500
Subject: [PATCH 044/318] used a simpler mechanism for the reaction rates

---
 .../source/user_guide/multiple_grid_cells.rst | 146 +++++--------
 test/tutorial/test_multiple_grid_cells.cpp    | 193 ++++++------------
 2 files changed, 115 insertions(+), 224 deletions(-)

diff --git a/docs/source/user_guide/multiple_grid_cells.rst b/docs/source/user_guide/multiple_grid_cells.rst
index c15912f9d..de01b7e04 100644
--- a/docs/source/user_guide/multiple_grid_cells.rst
+++ b/docs/source/user_guide/multiple_grid_cells.rst
@@ -6,21 +6,16 @@ Multiple Grid Cells
 This tutorial will focus on running multiple grid cells. Because the 
 :ref:`Rate constants` and :ref:`User defined rate constants` showed both configuring
 the mechanism by hand and building with a configuration file, we will only show building
-up the mechanism by hand for this tutorial. That mechanism will be a simple chapman mechanism.
+up the mechanism by hand for this tutorial. We will use a simple 3-reaction 3-species mechanism.
 
 .. math::
 
-  O_{1}^{d} + N_2 &\longrightarrow O + N_2, &k_{1, \mathrm{arrhenius}} \\
-  O_{1}^{d} + O_2 &\longrightarrow O + O_2, &k_{2, \mathrm{arrhenius}} \\
-  O + O_3 &\longrightarrow 2O_2, &k_{3, \mathrm{arrhenius}} \\
-  O + O_2 + M &\longrightarrow O_3 + M, &k_{4, \mathrm{arrhenius}} \\
-  O_2 &\longrightarrow 2O, &k_{5, \mathrm{photolysis}} \\
-  O_3 &\longrightarrow O_1^d +O_2,\qquad &k_{6, \mathrm{photolysis}} \\
-  O_3 &\longrightarrow O +O_2, &k_{7, \mathrm{photolysis}} \\
+  A &\longrightarrow B, &k_{1, \mathrm{user\ defined}} \\
+  2B &\longrightarrow B + C, &k_{2, \mathrm{user\ defined}} \\
+  B + C &\longrightarrow A + C, \qquad &k_{3, \mathrm{user\ defined}} \\
 
 We will use three grid cells. The second grid cells will have concentrations twice as large as the first grid cell.
-The third grid cell will have concentrations half as large as the first grid cell. Initial conditions are things
-that might be found in the atmosphere and the photolysis values are typical photolysis rates at noon.
+The third grid cell will have concentrations half as large as the first grid cell. 
 
 If you're looking for a copy and paste, choose
 the appropriate tab below and be on your way! Otherwise, stick around for a line by line explanation.
@@ -35,19 +30,18 @@ the appropriate tab below and be on your way! Otherwise, stick around for a line
 Line-by-line explanation
 ------------------------
 
-This mechanism only needs the arrhenius rate constant, the user defined rate constant (for photolysis rates)
-and the rosenbrock solver.
+This mechanism only needs the user defined rate constant and the rosenbrock solver.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 1-9
+  :lines: 1-5
 
 After that, we'll use the ``micm`` namespace and setup a template alias so that we can instantiate the 
 rosenbrock solver.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 11-18
+  :lines: 7-14
 
 To create a :cpp:class:`micm::RosenbrockSolver`, we have to define a chemical system (:cpp:class:`micm::System`)
 and our reactions, which will be a vector of :cpp:class:`micm::Process` We will use the species to define these as
@@ -55,14 +49,14 @@ well as a :cpp:class:`micm::Phase`.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 84-94
+  :lines: 56-60
 
 
 With the species and gas phase, we can define all of our reactions
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 96-138
+  :lines: 62-78
 
 
 Now we can define our RosenbrockSolver. This time we'll form the reactions and chemical system in place.
@@ -73,7 +67,7 @@ the order the species are added to the gas phase.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 140-143
+  :lines: 80-84
 
 
 Now we need to get a state and set the concentations of each of the species. In the 
@@ -83,95 +77,63 @@ to set the concentrations. Here we will set the concentations by providing the :
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 145-165
+  :lines: 86-91
 
-Then we set the photolysis rates by creating a vector that is 3 elements long, one for each grid cell.
+Then we set the reaction rates by creating a vector that is 3 elements long, one for each grid cell.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 167-172
+  :lines: 93-98
 
-And lastly set the temperature and pressure for each grid cell.
+And lastly set the temperature, pressure, and air density for each grid cell.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 174-179
+  :lines: 100-108
 
 Now we are ready to run the simulation.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 181-204
+  :lines: 110-133
 
 
 And these are the results.
 
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-|  time | grid |      O      |     O1D     |      O2     |      O3     |      M      |     Ar      |     N2      |     H2O     |     CO2     |
-+=======+======+=============+=============+=============+=============+=============+=============+=============+=============+=============+
-|   0   |  1   |   0.00e+00  |   0.00e+00  |   7.50e-01  |   8.10e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-|   0   |  2   |   0.00e+00  |   0.00e+00  |   1.50e+00  |   1.62e-05  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-|   0   |  3   |   0.00e+00  |   0.00e+00  |   3.75e-01  |   4.05e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-|  200  |  1   |   7.62e-07  |   3.19e-08  |   7.50e-01  |   7.31e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-|  200  |  2   |   1.52e-06  |   6.37e-08  |   1.50e+00  |   1.46e-05  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-|  200  |  3   |   3.81e-07  |   1.59e-08  |   3.75e-01  |   3.65e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-|  400  |  1   |   1.45e-06  |   6.06e-08  |   7.50e-01  |   6.59e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-|  400  |  2   |   2.90e-06  |   1.21e-07  |   1.50e+00  |   1.32e-05  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-|  400  |  3   |   7.25e-07  |   3.03e-08  |   3.75e-01  |   3.30e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-|  600  |  1   |   2.07e-06  |   8.65e-08  |   7.50e-01  |   5.94e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-|  600  |  2   |   4.14e-06  |   1.73e-07  |   1.50e+00  |   1.19e-05  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-|  600  |  3   |   1.03e-06  |   4.33e-08  |   3.75e-01  |   2.97e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-|  800  |  1   |   2.63e-06  |   1.10e-07  |   7.50e-01  |   5.36e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-|  800  |  2   |   5.26e-06  |   2.20e-07  |   1.50e+00  |   1.07e-05  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-|  800  |  3   |   1.31e-06  |   5.50e-08  |   3.75e-01  |   2.68e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 1000  |  1   |   3.13e-06  |   1.31e-07  |   7.50e-01  |   4.84e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 1000  |  2   |   6.27e-06  |   2.62e-07  |   1.50e+00  |   9.67e-06  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 1000  |  3   |   1.57e-06  |   6.55e-08  |   3.75e-01  |   2.42e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 1200  |  1   |   3.59e-06  |   1.50e-07  |   7.50e-01  |   4.36e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 1200  |  2   |   7.18e-06  |   3.00e-07  |   1.50e+00  |   8.72e-06  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 1200  |  3   |   1.79e-06  |   7.50e-08  |   3.75e-01  |   2.18e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 1400  |  1   |   4.00e-06  |   1.67e-07  |   7.50e-01  |   3.93e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 1400  |  2   |   8.00e-06  |   3.34e-07  |   1.50e+00  |   7.87e-06  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 1400  |  3   |   2.00e-06  |   8.36e-08  |   3.75e-01  |   1.97e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 1600  |  1   |   4.37e-06  |   1.83e-07  |   7.50e-01  |   3.55e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 1600  |  2   |   8.74e-06  |   3.65e-07  |   1.50e+00  |   7.10e-06  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 1600  |  3   |   2.18e-06  |   9.13e-08  |   3.75e-01  |   1.77e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 1800  |  1   |   4.70e-06  |   1.97e-07  |   7.50e-01  |   3.20e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 1800  |  2   |   9.40e-06  |   3.93e-07  |   1.50e+00  |   6.40e-06  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 1800  |  3   |   2.35e-06  |   9.83e-08  |   3.75e-01  |   1.60e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 2000  |  1   |   5.00e-06  |   2.09e-07  |   7.50e-01  |   2.89e-06  |   2.70e+25  |   3.34e-02  |   1.00e-10  |   1.19e-05  |   1.46e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 2000  |  2   |   1.00e-05  |   4.18e-07  |   1.50e+00  |   5.78e-06  |   2.70e+25  |   6.68e-02  |   1.00e-10  |   2.38e-05  |   2.92e-03  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 2000  |  3   |   2.50e-06  |   1.05e-07  |   3.75e-01  |   1.44e-06  |   2.70e+25  |   1.67e-02  |   1.00e-10  |   5.95e-06  |   7.30e-04  |
-+-------+------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+.. csv-table::
+   :header: "time", "grid", "A", "B", "C"
+   :widths: 6, 6, 10, 10, 10
+
+   0, 1, 1.00e+00, 0.00e+00, 0.00e+00
+   0, 2, 2.00e+00, 0.00e+00, 0.00e+00
+   0, 3, 5.00e-01, 0.00e+00, 0.00e+00
+   200, 1, 5.35e-01, 4.49e-06, 4.65e-01
+   200, 2, 1.21e+00, 6.01e-06, 7.89e-01
+   200, 3, 2.30e-01, 3.31e-06, 2.70e-01
+   400, 1, 4.50e-01, 3.23e-06, 5.50e-01
+   400, 2, 1.05e+00, 4.42e-06, 9.45e-01
+   400, 3, 1.85e-01, 2.32e-06, 3.15e-01
+   600, 1, 4.00e-01, 2.63e-06, 6.00e-01
+   600, 2, 9.59e-01, 3.65e-06, 1.04e+00
+   600, 3, 1.60e-01, 1.85e-06, 3.40e-01
+   800, 1, 3.64e-01, 2.27e-06, 6.36e-01
+   800, 2, 8.90e-01, 3.18e-06, 1.11e+00
+   800, 3, 1.42e-01, 1.57e-06, 3.58e-01
+   1000, 1, 3.37e-01, 2.01e-06, 6.63e-01
+   1000, 2, 8.35e-01, 2.85e-06, 1.16e+00
+   1000, 3, 1.29e-01, 1.38e-06, 3.71e-01
+   1200, 1, 3.15e-01, 1.82e-06, 6.85e-01
+   1200, 2, 7.91e-01, 2.60e-06, 1.21e+00
+   1200, 3, 1.19e-01, 1.24e-06, 3.81e-01
+   1400, 1, 2.96e-01, 1.67e-06, 7.04e-01
+   1400, 2, 7.54e-01, 2.40e-06, 1.25e+00
+   1400, 3, 1.11e-01, 1.13e-06, 3.89e-01
+   1600, 1, 2.81e-01, 1.55e-06, 7.19e-01
+   1600, 2, 7.21e-01, 2.24e-06, 1.28e+00
+   1600, 3, 1.04e-01, 1.04e-06, 3.96e-01
+   1800, 1, 2.67e-01, 1.45e-06, 7.33e-01
+   1800, 2, 6.93e-01, 2.11e-06, 1.31e+00
+   1800, 3, 9.77e-02, 9.65e-07, 4.02e-01
+   2000, 1, 2.55e-01, 1.37e-06, 7.45e-01
+   2000, 2, 6.68e-01, 2.00e-06, 1.33e+00
+   2000, 3, 9.25e-02, 9.02e-07, 4.07e-01
\ No newline at end of file
diff --git a/test/tutorial/test_multiple_grid_cells.cpp b/test/tutorial/test_multiple_grid_cells.cpp
index 86097f706..851e268dd 100644
--- a/test/tutorial/test_multiple_grid_cells.cpp
+++ b/test/tutorial/test_multiple_grid_cells.cpp
@@ -1,10 +1,6 @@
-#include <algorithm>
 #include <iomanip>
 #include <iostream>
-#include <map>
 
-// Each rate constant is in its own header file
-#include <micm/process/arrhenius_rate_constant.hpp>
 #include <micm/process/user_defined_rate_constant.hpp>
 #include <micm/solver/rosenbrock.hpp>
 
@@ -21,15 +17,9 @@ void print_header()
 {
   std::cout << std::setw(5) << "time"
             << "," << std::setw(5) << "grid"
-            << "," << std::setw(10) << "O"
-            << "," << std::setw(10) << "O1D"
-            << "," << std::setw(10) << "O2"
-            << "," << std::setw(10) << "O3"
-            << "," << std::setw(10) << "M"
-            << "," << std::setw(10) << "Ar"
-            << "," << std::setw(10) << "N2"
-            << "," << std::setw(10) << "H2O"
-            << "," << std::setw(10) << "CO2" << std::endl;
+            << "," << std::setw(10) << "A"
+            << "," << std::setw(10) << "B"
+            << "," << std::setw(10) << "C" << std::endl;
 }
 
 template<template<class> class T>
@@ -40,143 +30,82 @@ void print_state(double time, State<T>& state)
 
   std::cout << std::setw(5) << time << ",";
   std::cout << std::scientific << std::setprecision(2) << std::setw(6) << "1," << std::setw(10)
-            << state.variables_[0][state.variable_map_["O"]] << "," << std::setw(10)
-            << state.variables_[0][state.variable_map_["O1D"]] << "," << std::setw(10)
-            << state.variables_[0][state.variable_map_["O2"]] << "," << std::setw(10)
-            << state.variables_[0][state.variable_map_["O3"]] << "," << std::setw(10)
-            << state.variables_[0][state.variable_map_["M"]] << "," << std::setw(10)
-            << state.variables_[0][state.variable_map_["Ar"]] << "," << std::setw(10)
-            << state.variables_[0][state.variable_map_["N2"]] << "," << std::setw(10)
-            << state.variables_[0][state.variable_map_["H2O"]] << "," << std::setw(10)
-            << state.variables_[0][state.variable_map_["CO2"]] << std::endl;
+            << state.variables_[0][state.variable_map_["A"]] << "," << std::setw(10)
+            << state.variables_[0][state.variable_map_["B"]] << "," << std::setw(10)
+            << state.variables_[0][state.variable_map_["C"]] << std::endl;
 
   std::cout.copyfmt(oldState);
   std::cout << std::setw(5) << time << ",";
   std::cout << std::scientific << std::setprecision(2) << std::setw(6) << "2," << std::setw(10)
-            << state.variables_[1][state.variable_map_["O"]] << "," << std::setw(10)
-            << state.variables_[1][state.variable_map_["O1D"]] << "," << std::setw(10)
-            << state.variables_[1][state.variable_map_["O2"]] << "," << std::setw(10)
-            << state.variables_[1][state.variable_map_["O3"]] << "," << std::setw(10)
-            << state.variables_[1][state.variable_map_["M"]] << "," << std::setw(10)
-            << state.variables_[1][state.variable_map_["Ar"]] << "," << std::setw(10)
-            << state.variables_[1][state.variable_map_["N2"]] << "," << std::setw(10)
-            << state.variables_[1][state.variable_map_["H2O"]] << "," << std::setw(10)
-            << state.variables_[1][state.variable_map_["CO2"]] << std::endl;
+            << state.variables_[1][state.variable_map_["A"]] << "," << std::setw(10)
+            << state.variables_[1][state.variable_map_["B"]] << "," << std::setw(10)
+            << state.variables_[1][state.variable_map_["C"]] << std::endl;
 
   std::cout.copyfmt(oldState);
   std::cout << std::setw(5) << time << ",";
   std::cout << std::scientific << std::setprecision(2) << std::setw(6) << "3," << std::setw(10)
-            << state.variables_[2][state.variable_map_["O"]] << "," << std::setw(10)
-            << state.variables_[2][state.variable_map_["O1D"]] << "," << std::setw(10)
-            << state.variables_[2][state.variable_map_["O2"]] << "," << std::setw(10)
-            << state.variables_[2][state.variable_map_["O3"]] << "," << std::setw(10)
-            << state.variables_[2][state.variable_map_["M"]] << "," << std::setw(10)
-            << state.variables_[2][state.variable_map_["Ar"]] << "," << std::setw(10)
-            << state.variables_[2][state.variable_map_["N2"]] << "," << std::setw(10)
-            << state.variables_[2][state.variable_map_["H2O"]] << "," << std::setw(10)
-            << state.variables_[2][state.variable_map_["CO2"]] << std::endl;
+            << state.variables_[2][state.variable_map_["A"]] << "," << std::setw(10)
+            << state.variables_[2][state.variable_map_["B"]] << "," << std::setw(10)
+            << state.variables_[2][state.variable_map_["C"]] << std::endl;
 
   std::cout.copyfmt(oldState);
 }
 
 int main()
 {
-  auto o = Species("O");
-  auto o1d = Species("O1D");
-  auto o2 = Species("O2");
-  auto o3 = Species("O3");
-  auto m = Species("M");
-  auto ar = Species("Ar");
-  auto n2 = Species("N2");
-  auto h2o = Species("H2O");
-  auto co2 = Species("CO2");
-
-  Phase gas_phase{ std::vector<Species>{ o, o1d, o2, o3, m, ar, n2, h2o, co2 } };
-
-  Process r1 = Process::create()
-                   .reactants({ o1d, n2 })
-                   .products({ yields(o, 1), yields(n2, 1) })
-                   .rate_constant(ArrheniusRateConstant({ .A_ = 2.15e-11, .B_ = 0, .C_ = 110 }))
-                   .phase(gas_phase);
-
-  Process r2 = Process::create()
-                   .reactants({ o1d, o2 })
-                   .products({ yields(o, 1), yields(o2, 1) })
-                   .rate_constant(ArrheniusRateConstant(ArrheniusRateConstantParameters{ .A_ = 3.3e-11, .B_ = 0, .C_ = 55 }))
-                   .phase(gas_phase);
-
-  Process r3 =
-      Process::create()
-          .reactants({ o, o3 })
-          .products({ yields(o2, 2) })
-          .rate_constant(ArrheniusRateConstant(ArrheniusRateConstantParameters{ .A_ = 8e-12, .B_ = 0, .C_ = -2060 }))
-          .phase(gas_phase);
-
-  Process r4 =
-      Process::create()
-          .reactants({ o, o2, m })
-          .products({ yields(o3, 1), yields(m, 1) })
-          .rate_constant(ArrheniusRateConstant(ArrheniusRateConstantParameters{ .A_ = 6.0e-34, .B_ = 0, .C_ = 2.4 }))
-          .phase(gas_phase);
-
-  Process photo_1 = Process::create()
-                        .reactants({ o2 })
-                        .products({ yields(o, 2) })
-                        .rate_constant(UserDefinedRateConstant({ .label_ = "jO2" }))
-                        .phase(gas_phase);
-
-  Process photo_2 = Process::create()
-                        .reactants({ o3 })
-                        .products({ yields(o1d, 1), yields(o2, 1) })
-                        .rate_constant(UserDefinedRateConstant({ .label_ = "jO3a" }))
-                        .phase(gas_phase);
-
-  Process photo_3 = Process::create()
-                        .reactants({ o3 })
-                        .products({ yields(o, 1), yields(o2, 1) })
-                        .rate_constant(UserDefinedRateConstant({ .label_ = "jO3b" }))
-                        .phase(gas_phase);
-
-  RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{ System(SystemParameters{ .gas_phase_ = gas_phase }),
-                                                       std::vector<Process>{ r1, r2, r3, r4, photo_1, photo_2, photo_3 },
-                                                       RosenbrockSolverParameters::three_stage_rosenbrock_parameters(
-                                                           3, false) };
+  auto a = micm::Species("A");
+  auto b = micm::Species("B");
+  auto c = micm::Species("C");
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ a, b, c } };
+
+  micm::Process r1 = micm::Process::create()
+                         .reactants({ a })
+                         .products({ yields(b, 1) })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r1" }))
+                         .phase(gas_phase);
+
+  micm::Process r2 = micm::Process::create()
+                         .reactants({ b, b })
+                         .products({ yields(b, 1), yields(c, 1) })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r2" }))
+                         .phase(gas_phase);
+
+  micm::Process r3 = micm::Process::create()
+                         .reactants({ b, c })
+                         .products({ yields(a, 1), yields(c, 1) })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r3" }))
+                         .phase(gas_phase);
+
+  micm::RosenbrockSolver<micm::Matrix, SparseMatrixPolicy> solver{
+    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+    std::vector<micm::Process>{ r1, r2, r3 },
+    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(3, false)
+  };
 
   State<Matrix> state = solver.GetState();
 
   // mol m-3
-  double ar_concentration = 0.0334;
-  double co2_concentration = 0.00146;
-  double h2o_concentration = 1.19E-05;
-  double o2_concentration = 0.75;
-  double o3_concentration = 8.1E-06;
-
-  // Set concentrations for each element with the same scaling factor
-  state.SetConcentration(ar, std::vector<double>{ ar_concentration, ar_concentration * 2, ar_concentration * 0.5 });
-  state.SetConcentration(co2, std::vector<double>{ co2_concentration, co2_concentration * 2, co2_concentration * 0.5 });
-  state.SetConcentration(h2o, std::vector<double>{ h2o_concentration, h2o_concentration * 2, h2o_concentration * 0.5 });
-  state.SetConcentration(o2, std::vector<double>{ o2_concentration, o2_concentration * 2, o2_concentration * 0.5 });
-  state.SetConcentration(o3, std::vector<double>{ o3_concentration, o3_concentration * 2, o3_concentration * 0.5 });
-
-  state.SetConcentration(o1d, std::vector<double>(3, 0));
-  state.SetConcentration(o, std::vector<double>(3, 0));
-  state.SetConcentration(n2, std::vector<double>(3, 1e-10));
-
-  state.SetConcentration(m, std::vector<double>(3, 2.7e25));
-
-  double jo2 = 1.2e-14;
-  double jo3a = 2.07e-5;
-  double jo3b = 4.95e-4;
-  state.SetCustomRateParameter("jO2", std::vector<double>(3, jo2));
-  state.SetCustomRateParameter("jO3a", std::vector<double>(3, jo3a));
-  state.SetCustomRateParameter("jO3b", std::vector<double>(3, jo3b));
-
-  state.conditions_[0].temperature_ = 284.19;  // [K]
-  state.conditions_[0].pressure_ = 101245.0;   // [Pa]
-  state.conditions_[1].temperature_ = 215.02;  // [K]
-  state.conditions_[1].pressure_ = 100789.2;   // [Pa]
-  state.conditions_[2].temperature_ = 299.31;  // [K]
-  state.conditions_[2].pressure_ = 101398.0;   // [Pa]
+  state.SetConcentration(a, std::vector<double>{1, 2, 0.5 });
+  state.SetConcentration(b, std::vector<double>(3, 0));
+  state.SetConcentration(c, std::vector<double>(3, 0));
+
+  double k1 = 0.04;
+  double k2 = 3e7;
+  double k3 = 1e4;
+  state.SetCustomRateParameter("r1", std::vector<double>(3, k1));
+  state.SetCustomRateParameter("r2", std::vector<double>(3, k2));
+  state.SetCustomRateParameter("r3", std::vector<double>(3, k3));
+
+  double temperature = 272.5; // [K]
+  double pressure = 101253.3; // [Pa]
+  double air_density = 1e6;   // [mol m-3]
+
+  for(size_t cell = 0; cell < solver.parameters_.number_of_grid_cells_; ++cell) {
+    state.conditions_[cell].temperature_ = temperature;
+    state.conditions_[cell].pressure_ = pressure;
+    state.conditions_[cell].air_density_ = air_density;
+  }
 
   // choose a timestep and print the initial state
   double time_step = 200;  // s

From 7d834c7364436ba556cbd9a7b53b5c34083da9b6 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Wed, 27 Sep 2023 18:34:55 -0700
Subject: [PATCH 045/318] update jit rosenbrock for linear solver policy

---
 include/micm/solver/jit_rosenbrock.hpp | 10 +++++++---
 include/micm/solver/rosenbrock.hpp     |  2 +-
 test/integration/e5.hpp                |  2 +-
 test/integration/hires.hpp             |  4 ++--
 test/integration/oregonator.hpp        |  2 +-
 5 files changed, 12 insertions(+), 8 deletions(-)

diff --git a/include/micm/solver/jit_rosenbrock.hpp b/include/micm/solver/jit_rosenbrock.hpp
index 7c51fc7b2..933bf5f8d 100644
--- a/include/micm/solver/jit_rosenbrock.hpp
+++ b/include/micm/solver/jit_rosenbrock.hpp
@@ -19,13 +19,17 @@
 #include <ctime>
 #include <micm/jit/jit_compiler.hpp>
 #include <micm/jit/jit_function.hpp>
+#include <micm/solver/jit_linear_solver.hpp>
 #include <micm/solver/rosenbrock.hpp>
 
 namespace micm
 {
 
-  template<template<class> class MatrixPolicy = Matrix, template<class> class SparseMatrixPolicy = SparseMatrix>
-  class JitRosenbrockSolver : public RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>
+  template<
+      template<class> class MatrixPolicy = Matrix,
+      template<class> class SparseMatrixPolicy = SparseMatrix,
+      class LinearSolverPolicy = LinearSolver<double, SparseMatrixPolicy>>
+  class JitRosenbrockSolver : public RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
   {
     std::shared_ptr<JitCompiler> compiler_;
     llvm::orc::ResourceTrackerSP function_resource_tracker_;
@@ -41,7 +45,7 @@ namespace micm
         const System& system,
         const std::vector<Process>& processes,
         const RosenbrockSolverParameters& parameters)
-        : RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>(system, processes, parameters),
+        : RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(system, processes, parameters),
           compiler_(compiler)
     {
       this->GenerateAlphaMinusJacobian();
diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index 1a40b9ae0..dd4854e68 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -144,7 +144,7 @@ namespace micm
   /// The template parameter is the type of matrix to use
   template<template<class> class MatrixPolicy = Matrix,
            template<class> class SparseMatrixPolicy = SparseMatrix,
-           class LinearSolverPolicy = LinearSolver<double, SparseMatrix>>
+           class LinearSolverPolicy = LinearSolver<double, SparseMatrixPolicy>>
   class RosenbrockSolver
   {
    public:
diff --git a/test/integration/e5.hpp b/test/integration/e5.hpp
index 5b921cf8b..098895121 100644
--- a/test/integration/e5.hpp
+++ b/test/integration/e5.hpp
@@ -2,7 +2,7 @@
 
 #include <micm/solver/rosenbrock.hpp>
 
-template<template<class> class MatrixPolicy = micm::Matrix, template<class> class SparseMatrixPolicy = micm::SparseMatrix, class LinearSolverPolicy = micm::LinearSolver<double, micm::SparseMatrix>>
+template<template<class> class MatrixPolicy = micm::Matrix, template<class> class SparseMatrixPolicy = micm::SparseMatrix, class LinearSolverPolicy = micm::LinearSolver<double, SparseMatrixPolicy>>
 class E5 : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
 {
  public:
diff --git a/test/integration/hires.hpp b/test/integration/hires.hpp
index 3ad2d47dd..59db5712f 100644
--- a/test/integration/hires.hpp
+++ b/test/integration/hires.hpp
@@ -2,7 +2,7 @@
 
 #include <micm/solver/rosenbrock.hpp>
 
-template<template<class> class MatrixPolicy = micm::Matrix, template<class> class SparseMatrixPolicy = micm::SparseMatrix, class LinearSolverPolicy = micm::LinearSolver<double, micm::SparseMatrix>>
+template<template<class> class MatrixPolicy = micm::Matrix, template<class> class SparseMatrixPolicy = micm::SparseMatrix, class LinearSolverPolicy = micm::LinearSolver<double, SparseMatrixPolicy>>
 class HIRES : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
 {
  public:
@@ -13,7 +13,7 @@ class HIRES : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, Li
       const micm::System& system,
       const std::vector<micm::Process>& processes,
       const micm::RosenbrockSolverParameters& parameters)
-      : micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>()
+      : micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>()
   {
     this->system_ = system;
     this->processes_ = processes;
diff --git a/test/integration/oregonator.hpp b/test/integration/oregonator.hpp
index cd2f0bae2..be6619d57 100644
--- a/test/integration/oregonator.hpp
+++ b/test/integration/oregonator.hpp
@@ -2,7 +2,7 @@
 
 #include <micm/solver/rosenbrock.hpp>
 
-template<template<class> class MatrixPolicy = micm::Matrix, template<class> class SparseMatrixPolicy = micm::SparseMatrix, class LinearSolverPolicy = micm::LinearSolver<double, micm::SparseMatrix>>
+template<template<class> class MatrixPolicy = micm::Matrix, template<class> class SparseMatrixPolicy = micm::SparseMatrix, class LinearSolverPolicy = micm::LinearSolver<double, SparseMatrixPolicy>>
 class Oregonator : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
 {
  public:

From c342e427fcdc27a5029f17a8fe2db514e2b57c35 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Fri, 29 Sep 2023 10:25:33 -0500
Subject: [PATCH 046/318] saving initial files

---
 docs/source/user_guide/but_how_fast_is_it.rst | 137 ++++++++++++++++++
 docs/source/user_guide/index.rst              |   1 +
 test/tutorial/CMakeLists.txt                  |   1 +
 test/tutorial/test_but_how_fast_is_it.cpp     | 134 +++++++++++++++++
 4 files changed, 273 insertions(+)
 create mode 100644 docs/source/user_guide/but_how_fast_is_it.rst
 create mode 100644 test/tutorial/test_but_how_fast_is_it.cpp

diff --git a/docs/source/user_guide/but_how_fast_is_it.rst b/docs/source/user_guide/but_how_fast_is_it.rst
new file mode 100644
index 000000000..a285d702c
--- /dev/null
+++ b/docs/source/user_guide/but_how_fast_is_it.rst
@@ -0,0 +1,137 @@
+.. _But how fast is it:
+
+But how fast is it?
+===================
+
+This tutorial will focus on timing the solver to show how you can measure performance.
+We will use a simple 3-reaction 3-species mechanism. The setup here is the same in
+:ref:`Multiple grid cells`, so to understand the full setup, read that tutorial. Otherwise,
+we assume that configuring a rosenbrock solver is understood and instead we will focus on timing 
+the solver.
+
+.. math::
+
+  A &\longrightarrow B, &k_{1, \mathrm{user\ defined}} \\
+  2B &\longrightarrow B + C, &k_{2, \mathrm{user\ defined}} \\
+  B + C &\longrightarrow A + C, \qquad &k_{3, \mathrm{user\ defined}} \\
+
+If you're looking for a copy and paste, choose
+the appropriate tab below and be on your way! Otherwise, stick around for a line by line explanation.
+
+.. tabs::
+
+    .. tab:: Build the Mechanism with the API
+
+      .. literalinclude:: ../../../test/tutorial/test_but_how_fast_is_it.cpp
+        :language: cpp
+        
+Line-by-line explanation
+------------------------
+
+This mechanism only needs the user defined rate constant and the rosenbrock solver.
+
+.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
+  :language: cpp
+  :lines: 1-5
+
+After that, we'll use the ``micm`` namespace and setup a template alias so that we can instantiate the 
+rosenbrock solver.
+
+.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
+  :language: cpp
+  :lines: 7-14
+
+To create a :cpp:class:`micm::RosenbrockSolver`, we have to define a chemical system (:cpp:class:`micm::System`)
+and our reactions, which will be a vector of :cpp:class:`micm::Process` We will use the species to define these as
+well as a :cpp:class:`micm::Phase`.
+
+.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
+  :language: cpp
+  :lines: 56-60
+
+
+With the species and gas phase, we can define all of our reactions
+
+.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
+  :language: cpp
+  :lines: 62-78
+
+
+Now we can define our RosenbrockSolver. This time we'll form the reactions and chemical system in place.
+Also, notice the ``false`` in our :cpp:class:`micm::RosenbrockSolverParameters`. This tells the solver
+not to reorder the state variables. The reordering is an optimization that can minizie fill-in for some 
+of the linear algebra operations. For this example, it's turned off so that the order of the state matches
+the order the species are added to the gas phase.
+
+.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
+  :language: cpp
+  :lines: 80-84
+
+
+Now we need to get a state and set the concentations of each of the species. In the 
+":ref:`Rate constants set concentations`" section of the rate constants tutorial, 
+we used a ``std::unordered_map<std::string, std::vector<double>>`` 
+to set the concentrations. Here we will set the concentations by providing the :cpp:class:`micm::Species` objects.
+
+.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
+  :language: cpp
+  :lines: 86-91
+
+Then we set the reaction rates by creating a vector that is 3 elements long, one for each grid cell.
+
+.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
+  :language: cpp
+  :lines: 93-98
+
+And lastly set the temperature, pressure, and air density for each grid cell.
+
+.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
+  :language: cpp
+  :lines: 100-108
+
+Now we are ready to run the simulation.
+
+.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
+  :language: cpp
+  :lines: 110-133
+
+
+And these are the results.
+
+.. csv-table::
+   :header: "time", "grid", "A", "B", "C"
+   :widths: 6, 6, 10, 10, 10
+
+   0, 1, 1.00e+00, 0.00e+00, 0.00e+00
+   0, 2, 2.00e+00, 0.00e+00, 0.00e+00
+   0, 3, 5.00e-01, 0.00e+00, 0.00e+00
+   200, 1, 5.35e-01, 4.49e-06, 4.65e-01
+   200, 2, 1.21e+00, 6.01e-06, 7.89e-01
+   200, 3, 2.30e-01, 3.31e-06, 2.70e-01
+   400, 1, 4.50e-01, 3.23e-06, 5.50e-01
+   400, 2, 1.05e+00, 4.42e-06, 9.45e-01
+   400, 3, 1.85e-01, 2.32e-06, 3.15e-01
+   600, 1, 4.00e-01, 2.63e-06, 6.00e-01
+   600, 2, 9.59e-01, 3.65e-06, 1.04e+00
+   600, 3, 1.60e-01, 1.85e-06, 3.40e-01
+   800, 1, 3.64e-01, 2.27e-06, 6.36e-01
+   800, 2, 8.90e-01, 3.18e-06, 1.11e+00
+   800, 3, 1.42e-01, 1.57e-06, 3.58e-01
+   1000, 1, 3.37e-01, 2.01e-06, 6.63e-01
+   1000, 2, 8.35e-01, 2.85e-06, 1.16e+00
+   1000, 3, 1.29e-01, 1.38e-06, 3.71e-01
+   1200, 1, 3.15e-01, 1.82e-06, 6.85e-01
+   1200, 2, 7.91e-01, 2.60e-06, 1.21e+00
+   1200, 3, 1.19e-01, 1.24e-06, 3.81e-01
+   1400, 1, 2.96e-01, 1.67e-06, 7.04e-01
+   1400, 2, 7.54e-01, 2.40e-06, 1.25e+00
+   1400, 3, 1.11e-01, 1.13e-06, 3.89e-01
+   1600, 1, 2.81e-01, 1.55e-06, 7.19e-01
+   1600, 2, 7.21e-01, 2.24e-06, 1.28e+00
+   1600, 3, 1.04e-01, 1.04e-06, 3.96e-01
+   1800, 1, 2.67e-01, 1.45e-06, 7.33e-01
+   1800, 2, 6.93e-01, 2.11e-06, 1.31e+00
+   1800, 3, 9.77e-02, 9.65e-07, 4.02e-01
+   2000, 1, 2.55e-01, 1.37e-06, 7.45e-01
+   2000, 2, 6.68e-01, 2.00e-06, 1.33e+00
+   2000, 3, 9.25e-02, 9.02e-07, 4.07e-01
\ No newline at end of file
diff --git a/docs/source/user_guide/index.rst b/docs/source/user_guide/index.rst
index fad6b2bdc..8a55acfe5 100644
--- a/docs/source/user_guide/index.rst
+++ b/docs/source/user_guide/index.rst
@@ -18,5 +18,6 @@ If you happen to find our examples are lacking for your needs, please,
    :maxdepth: 1
    :caption: Contents:
 
+   but_how_fast_is_it
    rate_constant_tutorial
    user_defined_rate_constant_tutorial
diff --git a/test/tutorial/CMakeLists.txt b/test/tutorial/CMakeLists.txt
index 430a4e8c5..337702bdb 100644
--- a/test/tutorial/CMakeLists.txt
+++ b/test/tutorial/CMakeLists.txt
@@ -8,6 +8,7 @@ include(test_util)
 
 create_standard_test(NAME README_example SOURCES test_README_example.cpp)
 create_standard_test(NAME rate_constants_no_user_defined_example_by_hand SOURCES test_rate_constants_no_user_defined_by_hand.cpp)
+create_standard_test(NAME but_how_fast_is_it SOURCES test_but_how_fast_is_it.cpp)
 if(ENABLE_JSON)
   create_standard_test(NAME rate_constants_no_user_defined_example_with_config SOURCES test_rate_constants_no_user_defined_with_config.cpp)
 endif()
diff --git a/test/tutorial/test_but_how_fast_is_it.cpp b/test/tutorial/test_but_how_fast_is_it.cpp
new file mode 100644
index 000000000..851e268dd
--- /dev/null
+++ b/test/tutorial/test_but_how_fast_is_it.cpp
@@ -0,0 +1,134 @@
+#include <iomanip>
+#include <iostream>
+
+#include <micm/process/user_defined_rate_constant.hpp>
+#include <micm/solver/rosenbrock.hpp>
+
+// Use our namespace so that this example is easier to read
+using namespace micm;
+
+// The Rosenbrock solver can use many matrix ordering types
+// Here, we use the default ordering, but we still need to provide a templated
+// Arguent to the solver so it can use the proper ordering with any data type
+template<class T>
+using SparseMatrixPolicy = SparseMatrix<T>;
+
+void print_header()
+{
+  std::cout << std::setw(5) << "time"
+            << "," << std::setw(5) << "grid"
+            << "," << std::setw(10) << "A"
+            << "," << std::setw(10) << "B"
+            << "," << std::setw(10) << "C" << std::endl;
+}
+
+template<template<class> class T>
+void print_state(double time, State<T>& state)
+{
+  std::ios oldState(nullptr);
+  oldState.copyfmt(std::cout);
+
+  std::cout << std::setw(5) << time << ",";
+  std::cout << std::scientific << std::setprecision(2) << std::setw(6) << "1," << std::setw(10)
+            << state.variables_[0][state.variable_map_["A"]] << "," << std::setw(10)
+            << state.variables_[0][state.variable_map_["B"]] << "," << std::setw(10)
+            << state.variables_[0][state.variable_map_["C"]] << std::endl;
+
+  std::cout.copyfmt(oldState);
+  std::cout << std::setw(5) << time << ",";
+  std::cout << std::scientific << std::setprecision(2) << std::setw(6) << "2," << std::setw(10)
+            << state.variables_[1][state.variable_map_["A"]] << "," << std::setw(10)
+            << state.variables_[1][state.variable_map_["B"]] << "," << std::setw(10)
+            << state.variables_[1][state.variable_map_["C"]] << std::endl;
+
+  std::cout.copyfmt(oldState);
+  std::cout << std::setw(5) << time << ",";
+  std::cout << std::scientific << std::setprecision(2) << std::setw(6) << "3," << std::setw(10)
+            << state.variables_[2][state.variable_map_["A"]] << "," << std::setw(10)
+            << state.variables_[2][state.variable_map_["B"]] << "," << std::setw(10)
+            << state.variables_[2][state.variable_map_["C"]] << std::endl;
+
+  std::cout.copyfmt(oldState);
+}
+
+int main()
+{
+  auto a = micm::Species("A");
+  auto b = micm::Species("B");
+  auto c = micm::Species("C");
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ a, b, c } };
+
+  micm::Process r1 = micm::Process::create()
+                         .reactants({ a })
+                         .products({ yields(b, 1) })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r1" }))
+                         .phase(gas_phase);
+
+  micm::Process r2 = micm::Process::create()
+                         .reactants({ b, b })
+                         .products({ yields(b, 1), yields(c, 1) })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r2" }))
+                         .phase(gas_phase);
+
+  micm::Process r3 = micm::Process::create()
+                         .reactants({ b, c })
+                         .products({ yields(a, 1), yields(c, 1) })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r3" }))
+                         .phase(gas_phase);
+
+  micm::RosenbrockSolver<micm::Matrix, SparseMatrixPolicy> solver{
+    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+    std::vector<micm::Process>{ r1, r2, r3 },
+    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(3, false)
+  };
+
+  State<Matrix> state = solver.GetState();
+
+  // mol m-3
+  state.SetConcentration(a, std::vector<double>{1, 2, 0.5 });
+  state.SetConcentration(b, std::vector<double>(3, 0));
+  state.SetConcentration(c, std::vector<double>(3, 0));
+
+  double k1 = 0.04;
+  double k2 = 3e7;
+  double k3 = 1e4;
+  state.SetCustomRateParameter("r1", std::vector<double>(3, k1));
+  state.SetCustomRateParameter("r2", std::vector<double>(3, k2));
+  state.SetCustomRateParameter("r3", std::vector<double>(3, k3));
+
+  double temperature = 272.5; // [K]
+  double pressure = 101253.3; // [Pa]
+  double air_density = 1e6;   // [mol m-3]
+
+  for(size_t cell = 0; cell < solver.parameters_.number_of_grid_cells_; ++cell) {
+    state.conditions_[cell].temperature_ = temperature;
+    state.conditions_[cell].pressure_ = pressure;
+    state.conditions_[cell].air_density_ = air_density;
+  }
+
+  // choose a timestep and print the initial state
+  double time_step = 200;  // s
+
+  print_header();
+  print_state(0, state);
+
+  // solve for ten iterations
+  for (int i = 0; i < 10; ++i)
+  {
+    // Depending on how stiff the system is
+    // the solver integration step may not be able to solve for the full time step
+    // so we need to track how much time the solver was able to integrate for and continue
+    // solving until we finish
+    double elapsed_solve_time = 0;
+
+    while (elapsed_solve_time < time_step)
+    {
+      auto result = solver.Solve(time_step - elapsed_solve_time, state);
+      elapsed_solve_time = result.final_time_;
+      state.variables_ = result.result_;
+    }
+
+    print_state(time_step * (i + 1), state);
+  }
+}
\ No newline at end of file

From 5fe2baf0aab3028cf0e8b387800e9310ce54e288 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Fri, 29 Sep 2023 10:55:37 -0700
Subject: [PATCH 047/318] add LuDecompositionPolicy to LinearSolver

---
 include/micm/solver/jit_linear_solver.hpp   |  5 ++-
 include/micm/solver/jit_linear_solver.inl   | 45 ++++++++++++---------
 include/micm/solver/linear_solver.hpp       | 25 ++++++++----
 include/micm/solver/linear_solver.inl       | 34 +++++++++++-----
 test/unit/solver/test_jit_linear_solver.cpp | 12 ++++--
 5 files changed, 79 insertions(+), 42 deletions(-)

diff --git a/include/micm/solver/jit_linear_solver.hpp b/include/micm/solver/jit_linear_solver.hpp
index c872d6fa2..701fa09c2 100644
--- a/include/micm/solver/jit_linear_solver.hpp
+++ b/include/micm/solver/jit_linear_solver.hpp
@@ -5,6 +5,7 @@
 
 #include <micm/jit/jit_compiler.hpp>
 #include <micm/jit/jit_function.hpp>
+#include <micm/solver/jit_lu_decomposition.hpp>
 #include <micm/solver/linear_solver.hpp>
 #include <micm/util/sparse_matrix.hpp>
 #include <micm/util/sparse_matrix_vector_ordering.hpp>
@@ -16,8 +17,8 @@ namespace micm
   ///
   /// See LinearSolver class description for algorithm details
   /// The template parameter is the number of blocks (i.e. grid cells) in the block-diagonal matrix
-  template<std::size_t L, template<class> class SparseMatrixPolicy>
-  class JitLinearSolver : public LinearSolver<double, SparseMatrixPolicy>
+  template<std::size_t L, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy = JitLuDecomposition<L>>
+  class JitLinearSolver : public LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>
   {
     std::shared_ptr<JitCompiler> compiler_;
     llvm::orc::ResourceTrackerSP solve_function_resource_tracker_;
diff --git a/include/micm/solver/jit_linear_solver.inl b/include/micm/solver/jit_linear_solver.inl
index e2657bbbe..e3a284be8 100644
--- a/include/micm/solver/jit_linear_solver.inl
+++ b/include/micm/solver/jit_linear_solver.inl
@@ -4,19 +4,23 @@
 namespace micm
 {
 
-  template<std::size_t L, template<class> class SparseMatrixPolicy>
-  inline JitLinearSolver<L, SparseMatrixPolicy>::JitLinearSolver(
+  template<std::size_t L, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
+  inline JitLinearSolver<L, SparseMatrixPolicy, LuDecompositionPolicy>::JitLinearSolver(
       std::shared_ptr<JitCompiler> compiler,
       const SparseMatrix<double, SparseMatrixVectorOrdering<L>> &matrix,
       double initial_value)
-      : LinearSolver<double, SparseMatrixPolicy>(matrix, initial_value),
+      : LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>(
+            matrix,
+            initial_value,
+            [&](const SparseMatrixPolicy<double> &m) -> JitLuDecomposition<L>
+            { return JitLuDecomposition<L>(compiler, m); }),
         compiler_(compiler)
   {
     solve_function_ = NULL;
   }
 
-  template<std::size_t L, template<class> class SparseMatrixPolicy>
-  inline JitLinearSolver<L, SparseMatrixPolicy>::~JitLinearSolver()
+  template<std::size_t L, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
+  inline JitLinearSolver<L, SparseMatrixPolicy, LuDecompositionPolicy>::~JitLinearSolver()
   {
     if (solve_function_ != NULL)
     {
@@ -25,26 +29,29 @@ namespace micm
     }
   }
 
-  template<std::size_t L, template<class> class SparseMatrixPolicy>
-  inline void JitLinearSolver<L, SparseMatrixPolicy>::Factor(SparseMatrix<double, SparseMatrixVectorOrdering<L>> &matrix)
+  template<std::size_t L, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
+  inline void JitLinearSolver<L, SparseMatrixPolicy, LuDecompositionPolicy>::Factor(
+      SparseMatrix<double, SparseMatrixVectorOrdering<L>> &matrix)
   {
-    LinearSolver<double, SparseMatrixPolicy>::Factor(matrix);
+    LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>::Factor(matrix);
     GenerateSolveFunction();
   }
 
-  template<std::size_t L, template<class> class SparseMatrixPolicy>
+  template<std::size_t L, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
   template<template<class> class MatrixPolicy>
-  inline void JitLinearSolver<L, SparseMatrixPolicy>::Solve(const MatrixPolicy<double> &b, MatrixPolicy<double> &x)
+  inline void JitLinearSolver<L, SparseMatrixPolicy, LuDecompositionPolicy>::Solve(
+      const MatrixPolicy<double> &b,
+      MatrixPolicy<double> &x)
   {
     solve_function_(
         b.AsVector().data(),
         x.AsVector().data(),
-        LinearSolver<double, SparseMatrixPolicy>::lower_matrix_.AsVector().data(),
-        LinearSolver<double, SparseMatrixPolicy>::upper_matrix_.AsVector().data());
+        LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>::lower_matrix_.AsVector().data(),
+        LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>::upper_matrix_.AsVector().data());
   }
 
-  template<std::size_t L, template<class> class SparseMatrixPolicy>
-  inline void JitLinearSolver<L, SparseMatrixPolicy>::GenerateSolveFunction()
+  template<std::size_t L, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
+  inline void JitLinearSolver<L, SparseMatrixPolicy, LuDecompositionPolicy>::GenerateSolveFunction()
   {
     JitFunction func = JitFunction::create(compiler_)
                            .name("linear_solve")
@@ -54,10 +61,10 @@ namespace micm
                                         { "U", JitType::DoublePtr } })
                            .return_type(JitType::Void);
     llvm::Type *double_type = func.GetType(JitType::Double);
-    auto Lij_yj = LinearSolver<double, SparseMatrixPolicy>::Lij_yj_.begin();
-    auto Uij_xj = LinearSolver<double, SparseMatrixPolicy>::Uij_xj_.begin();
+    auto Lij_yj = LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>::Lij_yj_.begin();
+    auto Uij_xj = LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>::Uij_xj_.begin();
     std::size_t offset = 0;
-    for (auto &nLij_Lii : LinearSolver<double, SparseMatrixPolicy>::nLij_Lii_)
+    for (auto &nLij_Lii : LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>::nLij_Lii_)
     {
       // the x vector is used for y values to conserve memory
       {
@@ -107,8 +114,8 @@ namespace micm
       }
       offset += L;
     }
-    offset = L * LinearSolver<double, SparseMatrixPolicy>::nUij_Uii_.size();
-    for (auto &nUij_Uii : LinearSolver<double, SparseMatrixPolicy>::nUij_Uii_)
+    offset = L * LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>::nUij_Uii_.size();
+    for (auto &nUij_Uii : LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>::nUij_Uii_)
     {
       offset -= L;
       for (std::size_t i = 0; i < nUij_Uii.first; ++i)
diff --git a/include/micm/solver/linear_solver.hpp b/include/micm/solver/linear_solver.hpp
index c8046448c..47045f1be 100644
--- a/include/micm/solver/linear_solver.hpp
+++ b/include/micm/solver/linear_solver.hpp
@@ -4,6 +4,7 @@
 #pragma once
 
 #include <cmath>
+#include <functional>
 #include <micm/solver/lu_decomposition.hpp>
 #include <micm/util/matrix.hpp>
 #include <micm/util/sparse_matrix.hpp>
@@ -20,7 +21,7 @@ namespace micm
   /// @brief A general-use block-diagonal sparse-matrix linear solver
   ///
   /// The sparsity pattern of each block in the block diagonal matrix is the same.
-  template<typename T, template<class> class SparseMatrixPolicy>
+  template<typename T, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy = LuDecomposition>
   class LinearSolver
   {
    protected:
@@ -47,7 +48,7 @@ namespace micm
     // Indices of non-zero combinations of U_ij and x_j
     std::vector<std::pair<std::size_t, std::size_t>> Uij_xj_;
 
-    LuDecomposition lu_decomp_;
+    LuDecompositionPolicy lu_decomp_;
     SparseMatrixPolicy<T> lower_matrix_;
     SparseMatrixPolicy<T> upper_matrix_;
 
@@ -57,20 +58,28 @@ namespace micm
 
     /// @brief Constructs a linear solver for the sparsity structure of the given matrix
     /// @param matrix Sparse matrix
+    /// @param initial_value Initial value for matrix elements
     LinearSolver(const SparseMatrixPolicy<T>& matrix, T initial_value);
 
+    /// @brief Constructs a linear solver for the sparsity structure of the given matrix
+    /// @param matrix Sparse matrix
+    /// @param initial_value Initial value for matrix elements
+    /// @param create_lu_decomp Function to create an LU Decomposition object that adheres to LuDecompositionPolicy
+    LinearSolver(
+        const SparseMatrixPolicy<T>& matrix,
+        T initial_value,
+        const std::function<LuDecompositionPolicy(const SparseMatrixPolicy<T>&)> create_lu_decomp);
+
     /// @brief Decompose the matrix into upper and lower triangular matrices
     void Factor(const SparseMatrixPolicy<T>& matrix);
 
     /// @brief Solve for x in Ax = b
     template<template<class> class MatrixPolicy>
-    requires(!VectorizableDense<MatrixPolicy<T>> || !VectorizableSparse<SparseMatrixPolicy<T>>) void Solve(
-        const MatrixPolicy<T>& b,
-        MatrixPolicy<T>& x);
+      requires(!VectorizableDense<MatrixPolicy<T>> || !VectorizableSparse<SparseMatrixPolicy<T>>)
+    void Solve(const MatrixPolicy<T>& b, MatrixPolicy<T>& x);
     template<template<class> class MatrixPolicy>
-    requires(VectorizableDense<MatrixPolicy<T>>&& VectorizableSparse<SparseMatrixPolicy<T>>) void Solve(
-        const MatrixPolicy<T>& b,
-        MatrixPolicy<T>& x);
+      requires(VectorizableDense<MatrixPolicy<T>> && VectorizableSparse<SparseMatrixPolicy<T>>)
+    void Solve(const MatrixPolicy<T>& b, MatrixPolicy<T>& x);
   };
 
 }  // namespace micm
diff --git a/include/micm/solver/linear_solver.inl b/include/micm/solver/linear_solver.inl
index be5fb5ac7..ec6ebbad3 100644
--- a/include/micm/solver/linear_solver.inl
+++ b/include/micm/solver/linear_solver.inl
@@ -49,13 +49,27 @@ namespace micm
     return perm;
   }
 
-  template<typename T, template<class> class SparseMatrixPolicy>
-  inline LinearSolver<T, SparseMatrixPolicy>::LinearSolver(const SparseMatrixPolicy<T>& matrix, T initial_value)
+  template<typename T, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
+  inline LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy>::LinearSolver(
+      const SparseMatrixPolicy<T>& matrix,
+      T initial_value)
+      : LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy>(
+            matrix,
+            initial_value,
+            [](const SparseMatrixPolicy<T>& m) -> LuDecompositionPolicy { return LuDecompositionPolicy(m); })
+  {
+  }
+
+  template<typename T, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
+  inline LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy>::LinearSolver(
+      const SparseMatrixPolicy<T>& matrix,
+      T initial_value,
+      const std::function<LuDecompositionPolicy(const SparseMatrixPolicy<T>&)> create_lu_decomp)
       : nLij_Lii_(),
         Lij_yj_(),
         nUij_Uii_(),
         Uij_xj_(),
-        lu_decomp_(matrix)
+        lu_decomp_(create_lu_decomp(matrix))
   {
     auto lu = lu_decomp_.GetLUMatrices(matrix, initial_value);
     lower_matrix_ = std::move(lu.first);
@@ -90,16 +104,16 @@ namespace micm
     }
   };
 
-  template<typename T, template<class> class SparseMatrixPolicy>
-  inline void LinearSolver<T, SparseMatrixPolicy>::Factor(const SparseMatrixPolicy<T>& matrix)
+  template<typename T, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
+  inline void LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy>::Factor(const SparseMatrixPolicy<T>& matrix)
   {
-    lu_decomp_.Decompose<T, SparseMatrixPolicy>(matrix, lower_matrix_, upper_matrix_);
+    lu_decomp_.template Decompose<T, SparseMatrixPolicy>(matrix, lower_matrix_, upper_matrix_);
   }
 
-  template<typename T, template<class> class SparseMatrixPolicy>
+  template<typename T, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
   template<template<class> class MatrixPolicy>
     requires(!VectorizableDense<MatrixPolicy<T>> || !VectorizableSparse<SparseMatrixPolicy<T>>)
-  inline void LinearSolver<T, SparseMatrixPolicy>::Solve(const MatrixPolicy<T>& b, MatrixPolicy<T>& x)
+  inline void LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy>::Solve(const MatrixPolicy<T>& b, MatrixPolicy<T>& x)
   {
     for (std::size_t i_cell = 0; i_cell < b.size(); ++i_cell)
     {
@@ -152,10 +166,10 @@ namespace micm
     }
   }
 
-  template<typename T, template<class> class SparseMatrixPolicy>
+  template<typename T, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
   template<template<class> class MatrixPolicy>
     requires(VectorizableDense<MatrixPolicy<T>> && VectorizableSparse<SparseMatrixPolicy<T>>)
-  inline void LinearSolver<T, SparseMatrixPolicy>::Solve(const MatrixPolicy<T>& b, MatrixPolicy<T>& x)
+  inline void LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy>::Solve(const MatrixPolicy<T>& b, MatrixPolicy<T>& x)
   {
     const std::size_t n_cells = b.GroupVectorSize();
     // Loop over groups of blocks
diff --git a/test/unit/solver/test_jit_linear_solver.cpp b/test/unit/solver/test_jit_linear_solver.cpp
index 0f5fb7fce..aa942e08e 100644
--- a/test/unit/solver/test_jit_linear_solver.cpp
+++ b/test/unit/solver/test_jit_linear_solver.cpp
@@ -35,10 +35,16 @@ TEST(JitLinearSolver, DenseMatrixVectorOrdering)
     llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
     EXPECT_TRUE(false);
   }
-  testDenseMatrix<Group1VectorMatrix, Group1SparseVectorMatrix, micm::JitLinearSolver<1, Group1SparseVectorMatrix>>(
+  testDenseMatrix<
+      Group1VectorMatrix,
+      Group1SparseVectorMatrix,
+      micm::JitLinearSolver<1, Group1SparseVectorMatrix, micm::JitLuDecomposition<1>>>(
       [&](const Group1SparseVectorMatrix<double>& matrix,
-          double initial_value) -> micm::JitLinearSolver<1, Group1SparseVectorMatrix> {
-        return micm::JitLinearSolver<1, Group1SparseVectorMatrix>{ jit.get(), matrix, initial_value };
+          double initial_value) -> micm::JitLinearSolver<1, Group1SparseVectorMatrix, micm::JitLuDecomposition<1>>
+      {
+        return micm::JitLinearSolver<1, Group1SparseVectorMatrix, micm::JitLuDecomposition<1>>{ jit.get(),
+                                                                                                matrix,
+                                                                                                initial_value };
       });
 }
 

From 7ad568e7fce33f482e5d5d4a502d9f80f56550bd Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Fri, 29 Sep 2023 15:41:55 -0500
Subject: [PATCH 048/318] adding timing functions (#265)

---
 include/micm/solver/rosenbrock.hpp   |  7 +++++++
 include/micm/solver/rosenbrock.inl   | 27 ++++++++++++++++++++++-----
 test/unit/solver/test_rosenbrock.cpp | 23 +++++++++++++++++++++++
 3 files changed, 52 insertions(+), 5 deletions(-)

diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index f7bef36be..9874e323b 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -20,6 +20,7 @@
 #include <cassert>
 #include <cmath>
 #include <cstddef>
+#include <chrono>
 #include <functional>
 #include <iostream>
 #include <limits>
@@ -158,6 +159,11 @@ namespace micm
       uint64_t singular{};          // Nsng
       uint64_t total_steps{};       // Ntotstp
 
+      std::chrono::duration<double, std::nano> total_forcing_time {};
+      std::chrono::duration<double, std::nano> total_jacobian_time {};
+      std::chrono::duration<double, std::nano> total_linear_factor_time {};
+      std::chrono::duration<double, std::nano> total_linear_solve_time {};
+
       void Reset();
     };
 
@@ -206,6 +212,7 @@ namespace micm
     /// @brief Advances the given step over the specified time step
     /// @param time_step Time [s] to advance the state by
     /// @return A struct containing results and a status code
+    template<bool time_it = false>
     SolverResult Solve(double time_step, State<MatrixPolicy>& state) noexcept;
 
     /// @brief Calculate a chemical forcing
diff --git a/include/micm/solver/rosenbrock.inl b/include/micm/solver/rosenbrock.inl
index 57d347cb5..6b3e1b381 100644
--- a/include/micm/solver/rosenbrock.inl
+++ b/include/micm/solver/rosenbrock.inl
@@ -1,6 +1,18 @@
 // Copyright (C) 2023 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
+#define TIMED_METHOD(assigned_increment, time_it, method, ...) \
+    { \
+      if constexpr (time_it) { \
+          auto start = std::chrono::steady_clock::now(); \
+          method(__VA_ARGS__); \
+          auto end = std::chrono::steady_clock::now(); \
+          assigned_increment += std::chrono::duration_cast<std::chrono::nanoseconds>(end - start); \
+      } else { \
+          method(__VA_ARGS__); \
+      } \
+    } \
+
 namespace micm
 {
   //
@@ -378,6 +390,10 @@ namespace micm
     solves = 0;
     singular = 0;
     total_steps = 0;
+    total_forcing_time = std::chrono::nanoseconds::zero();
+    total_jacobian_time = std::chrono::nanoseconds::zero();
+    total_linear_factor_time = std::chrono::nanoseconds::zero();
+    total_linear_solve_time = std::chrono::nanoseconds::zero();
   }
 
   inline std::string StateToString(const SolverState& state)
@@ -472,6 +488,7 @@ namespace micm
   }
 
   template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
+  template<bool time_it>
   inline typename RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>::SolverResult
   RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>::Solve(double time_step, State<MatrixPolicy>& state) noexcept
   {
@@ -521,10 +538,10 @@ namespace micm
       H = std::min(H, std::abs(time_step - present_time));
 
       // compute the forcing at the beginning of the current time
-      CalculateForcing(state.rate_constants_, Y, initial_forcing);
+      TIMED_METHOD(stats_.total_forcing_time, time_it, CalculateForcing, state.rate_constants_, Y, initial_forcing);
 
       // compute the jacobian at the beginning of the current time
-      CalculateJacobian(state.rate_constants_, Y, jacobian_);
+      TIMED_METHOD(stats_.total_jacobian_time, time_it, CalculateJacobian, state.rate_constants_, Y, jacobian_);
 
       bool accepted = false;
       //  Repeat step calculation until current step accepted
@@ -532,7 +549,7 @@ namespace micm
       {
         bool is_singular{ false };
         // Form and factor the rosenbrock ode jacobian
-        LinearFactor(H, parameters_.gamma_[0], is_singular, Y);
+        TIMED_METHOD(stats_.total_linear_factor_time, time_it, LinearFactor, H, parameters_.gamma_[0], is_singular, Y);
         if (is_singular)
         {
           result.state_ = SolverState::RepeatedlySingularMatrix;
@@ -557,7 +574,7 @@ namespace micm
                 auto a = parameters_.a_[stage_combinations + j];
                 Ynew.ForEach([&](double& iYnew, double& iKj) { iYnew += a * iKj; }, K[j]);
               }
-              CalculateForcing(state.rate_constants_, Ynew, forcing);
+              TIMED_METHOD(stats_.total_forcing_time, time_it, CalculateForcing, state.rate_constants_, Ynew, forcing);
             }
           }
           K[stage].AsVector().assign(forcing.AsVector().begin(), forcing.AsVector().end());
@@ -567,7 +584,7 @@ namespace micm
             K[stage].ForEach([&](double& iKstage, double& iKj) { iKstage += HC * iKj; }, K[j]);
           }
           temp.AsVector().assign(K[stage].AsVector().begin(), K[stage].AsVector().end());
-          linear_solver_.template Solve<MatrixPolicy>(temp, K[stage]);
+          TIMED_METHOD(stats_.total_linear_solve_time, time_it, linear_solver_.template Solve<MatrixPolicy>, temp, K[stage]);
           stats_.solves += 1;
         }
 
diff --git a/test/unit/solver/test_rosenbrock.cpp b/test/unit/solver/test_rosenbrock.cpp
index 0c8ad8b80..b806fa46d 100644
--- a/test/unit/solver/test_rosenbrock.cpp
+++ b/test/unit/solver/test_rosenbrock.cpp
@@ -128,4 +128,27 @@ TEST(RosenbrockSolver, DenseAlphaMinusJacobian)
   testAlphaMinusJacobian<Group2VectorMatrix, Group2SparseVectorMatrix>(4);
   testAlphaMinusJacobian<Group3VectorMatrix, Group3SparseVectorMatrix>(3);
   testAlphaMinusJacobian<Group4VectorMatrix, Group4SparseVectorMatrix>(2);
+}
+
+TEST(RosenbrockSolver, Timing)
+{
+  auto solver = getSolver<micm::Matrix, SparseMatrix>(1);
+
+  auto state = solver.GetState();
+
+  state.variables_[0] = {
+    1, 1, 1, 1, 1,
+  };
+
+  auto result = solver.Solve<false>(1, state);
+  EXPECT_EQ(result.stats_.total_forcing_time.count(), 0);
+  EXPECT_EQ(result.stats_.total_jacobian_time.count(), 0);
+  EXPECT_EQ(result.stats_.total_linear_factor_time.count(), 0);
+  EXPECT_EQ(result.stats_.total_linear_solve_time.count(), 0);
+
+  result = solver.Solve<true>(1, state);
+  EXPECT_NE(
+      result.stats_.total_forcing_time.count() + result.stats_.total_jacobian_time.count() +
+          result.stats_.total_linear_factor_time.count() + result.stats_.total_linear_solve_time.count(),
+      0.0);
 }
\ No newline at end of file

From 515eba52e479914581d8dde189a196a4cde973c5 Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Fri, 29 Sep 2023 13:53:46 -0700
Subject: [PATCH 049/318] Auto-format code changes (#266)

Auto-format code using Clang-Format

Co-authored-by: GitHub Actions <actions@github.com>
---
 include/micm/solver/rosenbrock.hpp | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index 9874e323b..affa50370 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -18,9 +18,9 @@
 #include <algorithm>
 #include <array>
 #include <cassert>
+#include <chrono>
 #include <cmath>
 #include <cstddef>
-#include <chrono>
 #include <functional>
 #include <iostream>
 #include <limits>
@@ -159,10 +159,10 @@ namespace micm
       uint64_t singular{};          // Nsng
       uint64_t total_steps{};       // Ntotstp
 
-      std::chrono::duration<double, std::nano> total_forcing_time {};
-      std::chrono::duration<double, std::nano> total_jacobian_time {};
-      std::chrono::duration<double, std::nano> total_linear_factor_time {};
-      std::chrono::duration<double, std::nano> total_linear_solve_time {};
+      std::chrono::duration<double, std::nano> total_forcing_time{};
+      std::chrono::duration<double, std::nano> total_jacobian_time{};
+      std::chrono::duration<double, std::nano> total_linear_factor_time{};
+      std::chrono::duration<double, std::nano> total_linear_solve_time{};
 
       void Reset();
     };

From 27586bdea1ae77eabb1451600c3978e21a68b63b Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Fri, 29 Sep 2023 15:31:19 -0700
Subject: [PATCH 050/318] update README example

---
 README.md                             | 2 +-
 test/tutorial/test_README_example.cpp | 7 +------
 2 files changed, 2 insertions(+), 7 deletions(-)

diff --git a/README.md b/README.md
index 869659c10..da2482149 100644
--- a/README.md
+++ b/README.md
@@ -112,7 +112,7 @@ int main(const int argc, const char *argv[])
 
   std::vector<Process> reactions{ r1, r2 };
 
-  RosenbrockSolver solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+  RosenbrockSolver<> solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
 
   State state = solver.GetState();
 
diff --git a/test/tutorial/test_README_example.cpp b/test/tutorial/test_README_example.cpp
index 6681190ab..457594621 100644
--- a/test/tutorial/test_README_example.cpp
+++ b/test/tutorial/test_README_example.cpp
@@ -5,9 +5,6 @@
 
 using namespace micm;
 
-template<class T>
-using SparseMatrixPolicy = SparseMatrix<T>;
-
 int main(const int argc, const char *argv[])
 {
   auto foo = Species{ "Foo" };
@@ -32,9 +29,7 @@ int main(const int argc, const char *argv[])
 
   std::vector<Process> reactions{ r1, r2 };
 
-  RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{ chemical_system,
-                                                       reactions,
-                                                       RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+  RosenbrockSolver<> solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
   solver.parameters_.print();
 
   State state = solver.GetState();

From c21e7d64517e86ce86331b8116fbad26e578586c Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Fri, 29 Sep 2023 15:49:41 -0700
Subject: [PATCH 051/318] add alias for standard-ordered sparse matrix

---
 include/micm/solver/rosenbrock.hpp  | 2 +-
 include/micm/util/sparse_matrix.hpp | 8 +++++++-
 2 files changed, 8 insertions(+), 2 deletions(-)

diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index affa50370..ccb34570f 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -143,7 +143,7 @@ namespace micm
   /// @brief An implementation of the Rosenbrock ODE solver
   ///
   /// The template parameter is the type of matrix to use
-  template<template<class> class MatrixPolicy = Matrix, template<class> class SparseMatrixPolicy = SparseMatrix>
+  template<template<class> class MatrixPolicy = Matrix, template<class> class SparseMatrixPolicy = StandardSparseMatrix>
   class RosenbrockSolver
   {
    public:
diff --git a/include/micm/util/sparse_matrix.hpp b/include/micm/util/sparse_matrix.hpp
index 4720d8a51..fe4915a70 100644
--- a/include/micm/util/sparse_matrix.hpp
+++ b/include/micm/util/sparse_matrix.hpp
@@ -25,6 +25,12 @@ namespace micm
   template<class T, class OrderingPolicy>
   class SparseMatrixBuilder;
 
+  template<class T, class OrderingPolicy = SparseMatrixStandardOrdering>
+  class SparseMatrix;
+
+  template<class T>
+  using StandardSparseMatrix = SparseMatrix<T, SparseMatrixStandardOrdering>;
+
   /// @brief A sparse block-diagonal 2D matrix class with contiguous memory
   ///
   /// Each block sub-matrix is square and has the same structure of non-zero elements
@@ -33,7 +39,7 @@ namespace micm
   ///
   /// The template parameters are the type of the matrix elements and a class that
   /// defines the sizing and ordering of the data elements
-  template<class T, class OrderingPolicy = SparseMatrixStandardOrdering>
+  template<class T, class OrderingPolicy>
   class SparseMatrix : public OrderingPolicy
   {
     std::size_t number_of_blocks_;        // Number of block sub-matrices in the overall matrix

From 8510a3120265e0e8b3b55d58011f99efd448c453 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Fri, 29 Sep 2023 15:58:14 -0700
Subject: [PATCH 052/318] update tutorials to remove alias

---
 .../test_rate_constants_no_user_defined_by_hand.cpp  | 12 +++---------
 ...st_rate_constants_no_user_defined_with_config.cpp | 12 +++---------
 2 files changed, 6 insertions(+), 18 deletions(-)

diff --git a/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp b/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
index b53f2851a..ec35aa5a9 100644
--- a/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
+++ b/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
@@ -14,12 +14,6 @@
 // Use our namespace so that this example is easier to read
 using namespace micm;
 
-// The Rosenbrock solver can use many matrix ordering types
-// Here, we use the default ordering, but we still need to provide a templated
-// Arguent to the solver so it can use the proper ordering with any data type
-template<class T>
-using SparseMatrixPolicy = SparseMatrix<T>;
-
 void print_header()
 {
   std::cout << std::setw(5) << "time"
@@ -135,9 +129,9 @@ int main(const int argc, const char* argv[])
   auto chemical_system = System(micm::SystemParameters{ .gas_phase_ = gas_phase });
   auto reactions = std::vector<micm::Process>{ r1, r2, r3, r4, r5, r6, r7 };
 
-  RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{ chemical_system,
-                                                       reactions,
-                                                       RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+  RosenbrockSolver<> solver{ chemical_system,
+                             reactions,
+                             RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
   State state = solver.GetState();
 
   state.conditions_[0].temperature_ = 287.45;  // K
diff --git a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
index a43b9a69b..09ed08640 100644
--- a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
+++ b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
@@ -15,12 +15,6 @@
 // Use our namespace so that this example is easier to read
 using namespace micm;
 
-// The Rosenbrock solver can use many matrix ordering types
-// Here, we use the default ordering, but we still need to provide a templated
-// Arguent to the solver so it can use the proper ordering with any data type
-template<class T>
-using SparseMatrixPolicy = SparseMatrix<T>;
-
 void print_header()
 {
   std::cout << std::setw(5) << "time"
@@ -68,9 +62,9 @@ int main(const int argc, const char* argv[])
   auto chemical_system = solver_params.system_;
   auto reactions = solver_params.processes_;
 
-  RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{ chemical_system,
-                                                       reactions,
-                                                       RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+  RosenbrockSolver<> solver{ chemical_system,
+                             reactions,
+                             RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
 
   State state = solver.GetState();
 

From 86dcebe33231af6f601b057a7b3fcd59ee22de6c Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Mon, 2 Oct 2023 11:04:49 -0500
Subject: [PATCH 053/318] starting more content

---
 docs/source/user_guide/but_how_fast_is_it.rst | 65 +------------------
 1 file changed, 3 insertions(+), 62 deletions(-)

diff --git a/docs/source/user_guide/but_how_fast_is_it.rst b/docs/source/user_guide/but_how_fast_is_it.rst
index a285d702c..6e0eb69d9 100644
--- a/docs/source/user_guide/but_how_fast_is_it.rst
+++ b/docs/source/user_guide/but_how_fast_is_it.rst
@@ -5,7 +5,7 @@ But how fast is it?
 
 This tutorial will focus on timing the solver to show how you can measure performance.
 We will use a simple 3-reaction 3-species mechanism. The setup here is the same in
-:ref:`Multiple grid cells`, so to understand the full setup, read that tutorial. Otherwise,
+:ref:`Multiple grid cells`. To understand the full setup, read that tutorial. Otherwise,
 we assume that configuring a rosenbrock solver is understood and instead we will focus on timing 
 the solver.
 
@@ -28,70 +28,11 @@ the appropriate tab below and be on your way! Otherwise, stick around for a line
 Line-by-line explanation
 ------------------------
 
-This mechanism only needs the user defined rate constant and the rosenbrock solver.
-
-.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
-  :language: cpp
-  :lines: 1-5
-
-After that, we'll use the ``micm`` namespace and setup a template alias so that we can instantiate the 
-rosenbrock solver.
-
-.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
-  :language: cpp
-  :lines: 7-14
-
-To create a :cpp:class:`micm::RosenbrockSolver`, we have to define a chemical system (:cpp:class:`micm::System`)
-and our reactions, which will be a vector of :cpp:class:`micm::Process` We will use the species to define these as
-well as a :cpp:class:`micm::Phase`.
-
-.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
-  :language: cpp
-  :lines: 56-60
-
-
-With the species and gas phase, we can define all of our reactions
-
-.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
-  :language: cpp
-  :lines: 62-78
-
-
-Now we can define our RosenbrockSolver. This time we'll form the reactions and chemical system in place.
-Also, notice the ``false`` in our :cpp:class:`micm::RosenbrockSolverParameters`. This tells the solver
-not to reorder the state variables. The reordering is an optimization that can minizie fill-in for some 
-of the linear algebra operations. For this example, it's turned off so that the order of the state matches
-the order the species are added to the gas phase.
-
-.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
-  :language: cpp
-  :lines: 80-84
-
-
-Now we need to get a state and set the concentations of each of the species. In the 
-":ref:`Rate constants set concentations`" section of the rate constants tutorial, 
-we used a ``std::unordered_map<std::string, std::vector<double>>`` 
-to set the concentrations. Here we will set the concentations by providing the :cpp:class:`micm::Species` objects.
-
-.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
-  :language: cpp
-  :lines: 86-91
-
-Then we set the reaction rates by creating a vector that is 3 elements long, one for each grid cell.
-
-.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
-  :language: cpp
-  :lines: 93-98
-
-And lastly set the temperature, pressure, and air density for each grid cell.
-
-.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
-  :language: cpp
-  :lines: 100-108
+Up until now we have neglected to talk about what the solver returns, which is a :cpp:class:`micm::SolverResult`
 
 Now we are ready to run the simulation.
 
-.. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
+.. literalinclude:: ../../../test/tutorial/test_but_how_fast_is_it.cpp
   :language: cpp
   :lines: 110-133
 

From 356341624e51a981055be974e775668514159294 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Mon, 2 Oct 2023 11:34:56 -0700
Subject: [PATCH 054/318] add first JitRosenbrock regression test

---
 include/micm/solver/jit_linear_solver.hpp     |   2 +
 include/micm/solver/jit_linear_solver.inl     |   4 +-
 include/micm/solver/jit_lu_decomposition.hpp  |   2 +
 include/micm/solver/jit_rosenbrock.hpp        |  16 ++-
 include/micm/solver/linear_solver.hpp         |   2 +-
 include/micm/solver/rosenbrock.hpp            |  54 +++++----
 include/micm/solver/rosenbrock.inl            |  22 +++-
 .../util/sparse_matrix_vector_ordering.hpp    |   7 +-
 include/micm/util/vector_matrix.hpp           |   2 +-
 .../RosenbrockChapman/CMakeLists.txt          |   6 +-
 .../regression/RosenbrockChapman/jit_util.hpp | 103 +++++++++++++++++
 .../regression_test_dforce_dy.cpp             | 106 +++++-------------
 .../regression_test_dforce_dy_policy.hpp      |  72 ++++++++++++
 .../regression_test_jit_dforce_dy.cpp         |  16 +++
 test/regression/RosenbrockChapman/util.hpp    |   5 +-
 test/unit/solver/test_jit_rosenbrock.cpp      |  40 +++----
 16 files changed, 329 insertions(+), 130 deletions(-)
 create mode 100644 test/regression/RosenbrockChapman/jit_util.hpp
 create mode 100644 test/regression/RosenbrockChapman/regression_test_dforce_dy_policy.hpp
 create mode 100644 test/regression/RosenbrockChapman/regression_test_jit_dforce_dy.cpp

diff --git a/include/micm/solver/jit_linear_solver.hpp b/include/micm/solver/jit_linear_solver.hpp
index 701fa09c2..a2e35b28d 100644
--- a/include/micm/solver/jit_linear_solver.hpp
+++ b/include/micm/solver/jit_linear_solver.hpp
@@ -25,6 +25,8 @@ namespace micm
     void (*solve_function_)(const double*, double*, const double*, const double*);
 
    public:
+    JitLinearSolver(){};
+
     /// @brief Create a JITed linear solver for a given sparse matrix structure
     /// @param compiler JIT compiler
     /// @param matrix Block-diagonal sparse matrix to create solver for
diff --git a/include/micm/solver/jit_linear_solver.inl b/include/micm/solver/jit_linear_solver.inl
index e3a284be8..f886a4f7a 100644
--- a/include/micm/solver/jit_linear_solver.inl
+++ b/include/micm/solver/jit_linear_solver.inl
@@ -12,8 +12,8 @@ namespace micm
       : LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>(
             matrix,
             initial_value,
-            [&](const SparseMatrixPolicy<double> &m) -> JitLuDecomposition<L>
-            { return JitLuDecomposition<L>(compiler, m); }),
+            [&](const SparseMatrixPolicy<double> &m) -> LuDecompositionPolicy
+            { return LuDecompositionPolicy(compiler, m); }),
         compiler_(compiler)
   {
     solve_function_ = NULL;
diff --git a/include/micm/solver/jit_lu_decomposition.hpp b/include/micm/solver/jit_lu_decomposition.hpp
index 7d8258427..a46f24814 100644
--- a/include/micm/solver/jit_lu_decomposition.hpp
+++ b/include/micm/solver/jit_lu_decomposition.hpp
@@ -23,6 +23,8 @@ namespace micm
     void (*decompose_function_)(const double *, double *, double *);
 
    public:
+    JitLuDecomposition(){};
+
     /// @brief Create a JITed LU decomposer for a given sparse matrix structure
     /// @param compiler JIT compiler
     /// @param matrix Sparse matrix to create LU decomposer for
diff --git a/include/micm/solver/jit_rosenbrock.hpp b/include/micm/solver/jit_rosenbrock.hpp
index 933bf5f8d..422be8ca7 100644
--- a/include/micm/solver/jit_rosenbrock.hpp
+++ b/include/micm/solver/jit_rosenbrock.hpp
@@ -21,14 +21,16 @@
 #include <micm/jit/jit_function.hpp>
 #include <micm/solver/jit_linear_solver.hpp>
 #include <micm/solver/rosenbrock.hpp>
+#include <micm/util/sparse_matrix_vector_ordering.hpp>
+#include <micm/util/vector_matrix.hpp>
 
 namespace micm
 {
 
   template<
-      template<class> class MatrixPolicy = Matrix,
-      template<class> class SparseMatrixPolicy = SparseMatrix,
-      class LinearSolverPolicy = LinearSolver<double, SparseMatrixPolicy>>
+      template<class> class MatrixPolicy = VectorMatrix,
+      template<class> class SparseMatrixPolicy = VectorSparseMatrix,
+      class LinearSolverPolicy = JitLinearSolver<4, SparseMatrixPolicy>>
   class JitRosenbrockSolver : public RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
   {
     std::shared_ptr<JitCompiler> compiler_;
@@ -45,7 +47,13 @@ namespace micm
         const System& system,
         const std::vector<Process>& processes,
         const RosenbrockSolverParameters& parameters)
-        : RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(system, processes, parameters),
+        : RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
+              system,
+              processes,
+              parameters,
+              [&](const SparseMatrixPolicy<double>& matrix, double initial_value) -> LinearSolverPolicy {
+                return LinearSolverPolicy{ compiler, matrix, initial_value };
+              }),
           compiler_(compiler)
     {
       this->GenerateAlphaMinusJacobian();
diff --git a/include/micm/solver/linear_solver.hpp b/include/micm/solver/linear_solver.hpp
index 47045f1be..2a53386cf 100644
--- a/include/micm/solver/linear_solver.hpp
+++ b/include/micm/solver/linear_solver.hpp
@@ -54,7 +54,7 @@ namespace micm
 
    public:
     /// @brief default constructor
-    LinearSolver() = default;
+    LinearSolver(){};
 
     /// @brief Constructs a linear solver for the sparsity structure of the given matrix
     /// @param matrix Sparse matrix
diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index dd4854e68..ac8bb733c 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -86,37 +86,37 @@ namespace micm
     void print() const;
 
     /// @brief an L-stable method, 2 stages, order 2
-    /// @param number_of_grid_cells 
-    /// @param reorder_state 
-    /// @return 
+    /// @param number_of_grid_cells
+    /// @param reorder_state
+    /// @return
     static RosenbrockSolverParameters two_stage_rosenbrock_parameters(
         size_t number_of_grid_cells = 1,
         bool reorder_state = true);
     /// @brief an L-stable method, 3 stages, order 3, 2 function evaluations
-    /// @param number_of_grid_cells 
-    /// @param reorder_state 
-    /// @return 
+    /// @param number_of_grid_cells
+    /// @param reorder_state
+    /// @return
     static RosenbrockSolverParameters three_stage_rosenbrock_parameters(
         size_t number_of_grid_cells = 1,
         bool reorder_state = true);
     /// @brief L-stable rosenbrock method of order 4, with 4 stages
-    /// @param number_of_grid_cells 
-    /// @param reorder_state 
-    /// @return 
+    /// @param number_of_grid_cells
+    /// @param reorder_state
+    /// @return
     static RosenbrockSolverParameters four_stage_rosenbrock_parameters(
         size_t number_of_grid_cells = 1,
         bool reorder_state = true);
     /// @brief A stiffly-stable method, 4 stages, order 3
-    /// @param number_of_grid_cells 
-    /// @param reorder_state 
-    /// @return 
+    /// @param number_of_grid_cells
+    /// @param reorder_state
+    /// @return
     static RosenbrockSolverParameters four_stage_differential_algebraic_rosenbrock_parameters(
         size_t number_of_grid_cells = 1,
         bool reorder_state = true);
     /// @brief stiffly-stable rosenbrock method of order 4, with 6 stages
-    /// @param number_of_grid_cells 
-    /// @param reorder_state 
-    /// @return 
+    /// @param number_of_grid_cells
+    /// @param reorder_state
+    /// @return
     static RosenbrockSolverParameters six_stage_differential_algebraic_rosenbrock_parameters(
         size_t number_of_grid_cells = 1,
         bool reorder_state = true);
@@ -142,9 +142,10 @@ namespace micm
   /// @brief An implementation of the Rosenbrock ODE solver
   ///
   /// The template parameter is the type of matrix to use
-  template<template<class> class MatrixPolicy = Matrix,
-           template<class> class SparseMatrixPolicy = SparseMatrix,
-           class LinearSolverPolicy = LinearSolver<double, SparseMatrixPolicy>>
+  template<
+      template<class> class MatrixPolicy = Matrix,
+      template<class> class SparseMatrixPolicy = SparseMatrix,
+      class LinearSolverPolicy = LinearSolver<double, SparseMatrixPolicy>>
   class RosenbrockSolver
   {
    public:
@@ -194,11 +195,24 @@ namespace micm
     /// @brief Builds a Rosenbrock solver for the given system, processes, and solver parameters
     /// @param system The chemical system to create the solver for
     /// @param processes The collection of chemical processes that will be applied during solving
+    /// @param parameters Rosenbrock algorithm parameters
     RosenbrockSolver(
         const System& system,
         const std::vector<Process>& processes,
         const RosenbrockSolverParameters& parameters);
 
+    /// @brief Builds a Rosenbrock solver for the given system, processes, and solver parameters,
+    ///        with a specific function provided to create the linear solver
+    /// @param system The chemical system to create the solver for
+    /// @param processes The collection of chemical processes that will be applied during solving
+    /// @param parameters Rosenbrock algorithm parameters
+    /// @param create_linear_solver Function that will be used to create a linear solver instance
+    RosenbrockSolver(
+        const System& system,
+        const std::vector<Process>& processes,
+        const RosenbrockSolverParameters& parameters,
+        const std::function<LinearSolverPolicy(const SparseMatrixPolicy<double>, double)> create_linear_solver);
+
     virtual ~RosenbrockSolver() = default;
 
     /// @brief Returns a state object for use with the solver
@@ -223,9 +237,9 @@ namespace micm
     /// @param jacobian Jacobian matrix (dforce_dy)
     /// @param alpha
     void AlphaMinusJacobian(SparseMatrixPolicy<double>& jacobian, const double& alpha) const
-        requires(!VectorizableSparse<SparseMatrixPolicy<double>>);
+      requires(!VectorizableSparse<SparseMatrixPolicy<double>>);
     void AlphaMinusJacobian(SparseMatrixPolicy<double>& jacobian, const double& alpha) const
-        requires(VectorizableSparse<SparseMatrixPolicy<double>>);
+      requires(VectorizableSparse<SparseMatrixPolicy<double>>);
 
     /// @brief Update the rate constants for the environment state
     /// @param state The current state of the chemical system
diff --git a/include/micm/solver/rosenbrock.inl b/include/micm/solver/rosenbrock.inl
index f8621d526..4a2d3a548 100644
--- a/include/micm/solver/rosenbrock.inl
+++ b/include/micm/solver/rosenbrock.inl
@@ -416,6 +416,22 @@ namespace micm
       const System& system,
       const std::vector<Process>& processes,
       const RosenbrockSolverParameters& parameters)
+      : RosenbrockSolver(
+            system,
+            processes,
+            parameters,
+            [](const SparseMatrixPolicy<double>& matrix, double initial_value) -> LinearSolverPolicy {
+              return LinearSolverPolicy{ matrix, initial_value };
+            })
+  {
+  }
+
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+  inline RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::RosenbrockSolver(
+      const System& system,
+      const std::vector<Process>& processes,
+      const RosenbrockSolverParameters& parameters,
+      const std::function<LinearSolverPolicy(const SparseMatrixPolicy<double>, double)> create_linear_solver)
       : system_(system),
         processes_(processes),
         parameters_(parameters),
@@ -451,7 +467,7 @@ namespace micm
       builder = builder.with_element(i, i);
 
     jacobian_ = builder;
-    linear_solver_ = LinearSolverPolicy(jacobian_, 1.0e-30);
+    linear_solver_ = create_linear_solver(jacobian_, 1.0e-30);
     process_set_.SetJacobianFlatIds(jacobian_);
     for (std::size_t i = 0; i < jacobian_[0].size(); ++i)
       jacobian_diagonal_elements_.push_back(jacobian_.VectorIndex(0, i, i));
@@ -473,7 +489,9 @@ namespace micm
 
   template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
   inline typename RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::SolverResult
-  RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::Solve(double time_step, State<MatrixPolicy>& state) noexcept
+  RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::Solve(
+      double time_step,
+      State<MatrixPolicy>& state) noexcept
   {
     typename RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::SolverResult result{};
     result.state_ = SolverState::Running;
diff --git a/include/micm/util/sparse_matrix_vector_ordering.hpp b/include/micm/util/sparse_matrix_vector_ordering.hpp
index b3b17cc0b..eaa7b84d8 100644
--- a/include/micm/util/sparse_matrix_vector_ordering.hpp
+++ b/include/micm/util/sparse_matrix_vector_ordering.hpp
@@ -15,7 +15,7 @@ namespace micm
   ///
   /// The template argument is the number of blocks per set of blocks and should be
   /// approximately the size of the vector register.
-  template<std::size_t L>
+  template<std::size_t L = 4>
   class SparseMatrixVectorOrdering
   {
    protected:
@@ -61,4 +61,9 @@ namespace micm
       return std::ceil((double)number_of_blocks / (double)L);
     }
   };
+
+  // Default vectorized SparseMatrix
+  template<class T>
+  using VectorSparseMatrix = SparseMatrix<T, SparseMatrixVectorOrdering<4>>;
+
 }  // namespace micm
\ No newline at end of file
diff --git a/include/micm/util/vector_matrix.hpp b/include/micm/util/vector_matrix.hpp
index 9a75bc06e..32000cef6 100644
--- a/include/micm/util/vector_matrix.hpp
+++ b/include/micm/util/vector_matrix.hpp
@@ -19,7 +19,7 @@ namespace micm
   ///
   /// The template arguments are the type of the matrix elements and the size of the number
   /// of rows per group.
-  template<class T, std::size_t L>
+  template<class T, std::size_t L = 4>
   class VectorMatrix
   {
     std::vector<T> data_;
diff --git a/test/regression/RosenbrockChapman/CMakeLists.txt b/test/regression/RosenbrockChapman/CMakeLists.txt
index 6af23ca24..cdef173cd 100644
--- a/test/regression/RosenbrockChapman/CMakeLists.txt
+++ b/test/regression/RosenbrockChapman/CMakeLists.txt
@@ -8,4 +8,8 @@ include(test_util)
 
 create_standard_test(NAME regression_test_rosenbrock_p_force SOURCES regression_test_p_force.cpp)
 create_standard_test(NAME regression_test_rosenbrock_dforce_dy SOURCES regression_test_dforce_dy.cpp)
-create_standard_test(NAME regression_test_solve SOURCES regression_test_solve.cpp)
\ No newline at end of file
+create_standard_test(NAME regression_test_solve SOURCES regression_test_solve.cpp)
+
+if(ENABLE_LLVM)
+  create_standard_test(NAME regression_test_jit_dforce_dy SOURCES regression_test_jit_dforce_dy.cpp)
+endif()
\ No newline at end of file
diff --git a/test/regression/RosenbrockChapman/jit_util.hpp b/test/regression/RosenbrockChapman/jit_util.hpp
new file mode 100644
index 000000000..19c2d27c2
--- /dev/null
+++ b/test/regression/RosenbrockChapman/jit_util.hpp
@@ -0,0 +1,103 @@
+#include <micm/solver/jit_rosenbrock.hpp>
+
+#include "util.hpp"
+
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> getTwoStageMultiCellJitChapmanSolver(
+    const size_t number_of_grid_cells)
+{
+  micm::Phase gas_phase = createGasPhase();
+  std::vector<micm::Process> processes = createProcesses(gas_phase);
+
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
+      jit.get(),
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+      std::move(processes),
+      micm::RosenbrockSolverParameters::two_stage_rosenbrock_parameters(number_of_grid_cells));
+}
+
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> getThreeStageMultiCellJitChapmanSolver(
+    const size_t number_of_grid_cells)
+{
+  micm::Phase gas_phase = createGasPhase();
+  std::vector<micm::Process> processes = createProcesses(gas_phase);
+
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
+      jit.get(),
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+      std::move(processes),
+      micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells));
+}
+
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> getFourStageMultiCellJitChapmanSolver(
+    const size_t number_of_grid_cells)
+{
+  micm::Phase gas_phase = createGasPhase();
+  std::vector<micm::Process> processes = createProcesses(gas_phase);
+
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
+      jit.get(),
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+      std::move(processes),
+      micm::RosenbrockSolverParameters::four_stage_rosenbrock_parameters(number_of_grid_cells));
+}
+
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> getFourStageDAMultiCellJitChapmanSolver(
+    const size_t number_of_grid_cells)
+{
+  micm::Phase gas_phase = createGasPhase();
+  std::vector<micm::Process> processes = createProcesses(gas_phase);
+
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
+      jit.get(),
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+      std::move(processes),
+      micm::RosenbrockSolverParameters::four_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells));
+}
+
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> getSixStageDAMultiCellJitChapmanSolver(
+    const size_t number_of_grid_cells)
+{
+  micm::Phase gas_phase = createGasPhase();
+  std::vector<micm::Process> processes = createProcesses(gas_phase);
+
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
+      jit.get(),
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+      std::move(processes),
+      micm::RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells));
+}
\ No newline at end of file
diff --git a/test/regression/RosenbrockChapman/regression_test_dforce_dy.cpp b/test/regression/RosenbrockChapman/regression_test_dforce_dy.cpp
index 49335c002..5ac2aa8dc 100644
--- a/test/regression/RosenbrockChapman/regression_test_dforce_dy.cpp
+++ b/test/regression/RosenbrockChapman/regression_test_dforce_dy.cpp
@@ -1,87 +1,43 @@
 #include <gtest/gtest.h>
 
 #include <micm/solver/rosenbrock.hpp>
-#include <micm/util/matrix.hpp>
-#include <micm/util/sparse_matrix.hpp>
-#include <micm/util/sparse_matrix_vector_ordering.hpp>
-#include <micm/util/vector_matrix.hpp>
-#include <random>
 
-#include "chapman_ode_solver.hpp"
-#include "util.hpp"
-
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-void testJacobian()
-{
-  std::random_device rnd_device;
-  std::mt19937 engine{ rnd_device() };
-  std::lognormal_distribution dist{ -2.0, 4.0 };
-
-  micm::ChapmanODESolver fixed_solver{};
-  auto solver = getThreeStageMultiCellChapmanSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(3);
-
-  auto state = solver.GetState();
-
-  auto& state_vec = state.variables_.AsVector();
-  std::generate(state_vec.begin(), state_vec.end(), [&]() { return dist(engine); });
-  auto& rate_const_vec = state.rate_constants_.AsVector();
-  std::generate(state_vec.begin(), state_vec.end(), [&]() { return dist(engine); });
-
-  auto& jacobian = solver.jacobian_;
-  solver.CalculateJacobian(state.rate_constants_, state.variables_, jacobian);
-
-  for (std::size_t i{}; i < 3; ++i)
-  {
-    double number_density_air = 1.0;
-    std::vector<double> rate_constants = state.rate_constants_[i];
-    std::vector<double> variables(state.variables_[i].size());
-    for (std::size_t j{}; j < state.variables_[i].size(); ++j)
-      variables[j] = state.variables_[i][state.variable_map_[fixed_solver.species_names()[j]]];
-    std::vector<double> fixed_jacobian = fixed_solver.dforce_dy(rate_constants, variables, number_density_air);
-
-    // TODO: The sparse matrix data ordering in the hard-coded solver is different (maybe because of pivoting?)
-    //       As the remaining linear solver functions are generalized, use the logic in the preprocessor to
-    //       decipher the data elements in the hard-coded solver sparse matrix to finish this test.
-    // EXPECT_EQ(jacobian.FlatBlockSize(), fixed_jacobian.size());
-    for (std::size_t j{}; j < fixed_jacobian.size(); ++j)
-    {
-      // EXPECT_NEAR(jacobian.AsVector()[i * jacobian.FlatBlockSize() + j], fixed_jacobian[j], 1.0e-10);
-    }
-  }
-}
-
-template<class T>
-using DenseMatrix = micm::Matrix<T>;
-template<class T>
-using SparseMatrix = micm::SparseMatrix<T>;
-
-template<class T>
-using Group1VectorMatrix = micm::VectorMatrix<T, 1>;
-template<class T>
-using Group2VectorMatrix = micm::VectorMatrix<T, 2>;
-template<class T>
-using Group3VectorMatrix = micm::VectorMatrix<T, 3>;
-template<class T>
-using Group4VectorMatrix = micm::VectorMatrix<T, 4>;
-
-template<class T>
-using Group1SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<1>>;
-template<class T>
-using Group2SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<2>>;
-template<class T>
-using Group3SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<3>>;
-template<class T>
-using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<4>>;
+#include "regression_test_dforce_dy_policy.hpp"
 
 TEST(RegressionRosenbrock, Jacobian)
 {
-  testJacobian<DenseMatrix, SparseMatrix, micm::LinearSolver<double, SparseMatrix>>();
+  auto solver = getThreeStageMultiCellChapmanSolver<DenseMatrix, SparseMatrix, micm::LinearSolver<double, SparseMatrix>>(3);
+  testJacobian<>(solver);
 }
 
 TEST(RegressionRosenbrock, VectorJacobian)
 {
-  testJacobian<Group1VectorMatrix, Group1SparseVectorMatrix, micm::LinearSolver<double, Group1SparseVectorMatrix>>();
-  testJacobian<Group2VectorMatrix, Group2SparseVectorMatrix, micm::LinearSolver<double, Group2SparseVectorMatrix>>();
-  testJacobian<Group3VectorMatrix, Group3SparseVectorMatrix, micm::LinearSolver<double, Group3SparseVectorMatrix>>();
-  testJacobian<Group4VectorMatrix, Group4SparseVectorMatrix, micm::LinearSolver<double, Group4SparseVectorMatrix>>();
+  {
+    auto solver = getThreeStageMultiCellChapmanSolver<
+        Group1VectorMatrix,
+        Group1SparseVectorMatrix,
+        micm::LinearSolver<double, Group1SparseVectorMatrix>>(3);
+    testJacobian<>(solver);
+  }
+  {
+    auto solver = getThreeStageMultiCellChapmanSolver<
+        Group2VectorMatrix,
+        Group2SparseVectorMatrix,
+        micm::LinearSolver<double, Group2SparseVectorMatrix>>(3);
+    testJacobian<>(solver);
+  }
+  {
+    auto solver = getThreeStageMultiCellChapmanSolver<
+        Group3VectorMatrix,
+        Group3SparseVectorMatrix,
+        micm::LinearSolver<double, Group3SparseVectorMatrix>>(3);
+    testJacobian<>(solver);
+  }
+  {
+    auto solver = getThreeStageMultiCellChapmanSolver<
+        Group4VectorMatrix,
+        Group4SparseVectorMatrix,
+        micm::LinearSolver<double, Group4SparseVectorMatrix>>(3);
+    testJacobian<>(solver);
+  }
 }
\ No newline at end of file
diff --git a/test/regression/RosenbrockChapman/regression_test_dforce_dy_policy.hpp b/test/regression/RosenbrockChapman/regression_test_dforce_dy_policy.hpp
new file mode 100644
index 000000000..f95bb15a0
--- /dev/null
+++ b/test/regression/RosenbrockChapman/regression_test_dforce_dy_policy.hpp
@@ -0,0 +1,72 @@
+#pragma once
+
+#include <micm/util/matrix.hpp>
+#include <micm/util/sparse_matrix.hpp>
+#include <micm/util/sparse_matrix_vector_ordering.hpp>
+#include <micm/util/vector_matrix.hpp>
+#include <random>
+
+#include "chapman_ode_solver.hpp"
+#include "util.hpp"
+
+template<class OdeSolverPolicy>
+void testJacobian(OdeSolverPolicy& solver)
+{
+  std::random_device rnd_device;
+  std::mt19937 engine{ rnd_device() };
+  std::lognormal_distribution dist{ -2.0, 4.0 };
+
+  micm::ChapmanODESolver fixed_solver{};
+
+  auto state = solver.GetState();
+
+  auto& state_vec = state.variables_.AsVector();
+  std::generate(state_vec.begin(), state_vec.end(), [&]() { return dist(engine); });
+  auto& rate_const_vec = state.rate_constants_.AsVector();
+  std::generate(state_vec.begin(), state_vec.end(), [&]() { return dist(engine); });
+
+  auto& jacobian = solver.jacobian_;
+  solver.CalculateJacobian(state.rate_constants_, state.variables_, jacobian);
+
+  for (std::size_t i{}; i < 3; ++i)
+  {
+    double number_density_air = 1.0;
+    std::vector<double> rate_constants = state.rate_constants_[i];
+    std::vector<double> variables(state.variables_[i].size());
+    for (std::size_t j{}; j < state.variables_[i].size(); ++j)
+      variables[j] = state.variables_[i][state.variable_map_[fixed_solver.species_names()[j]]];
+    std::vector<double> fixed_jacobian = fixed_solver.dforce_dy(rate_constants, variables, number_density_air);
+
+    // TODO: The sparse matrix data ordering in the hard-coded solver is different (maybe because of pivoting?)
+    //       As the remaining linear solver functions are generalized, use the logic in the preprocessor to
+    //       decipher the data elements in the hard-coded solver sparse matrix to finish this test.
+    // EXPECT_EQ(jacobian.FlatBlockSize(), fixed_jacobian.size());
+    for (std::size_t j{}; j < fixed_jacobian.size(); ++j)
+    {
+      // EXPECT_NEAR(jacobian.AsVector()[i * jacobian.FlatBlockSize() + j], fixed_jacobian[j], 1.0e-10);
+    }
+  }
+}
+
+template<class T>
+using DenseMatrix = micm::Matrix<T>;
+template<class T>
+using SparseMatrix = micm::SparseMatrix<T>;
+
+template<class T>
+using Group1VectorMatrix = micm::VectorMatrix<T, 1>;
+template<class T>
+using Group2VectorMatrix = micm::VectorMatrix<T, 2>;
+template<class T>
+using Group3VectorMatrix = micm::VectorMatrix<T, 3>;
+template<class T>
+using Group4VectorMatrix = micm::VectorMatrix<T, 4>;
+
+template<class T>
+using Group1SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<1>>;
+template<class T>
+using Group2SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<2>>;
+template<class T>
+using Group3SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<3>>;
+template<class T>
+using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<4>>;
\ No newline at end of file
diff --git a/test/regression/RosenbrockChapman/regression_test_jit_dforce_dy.cpp b/test/regression/RosenbrockChapman/regression_test_jit_dforce_dy.cpp
new file mode 100644
index 000000000..05f4ed3a1
--- /dev/null
+++ b/test/regression/RosenbrockChapman/regression_test_jit_dforce_dy.cpp
@@ -0,0 +1,16 @@
+#include <gtest/gtest.h>
+
+#include <micm/solver/jit_linear_solver.hpp>
+#include <micm/solver/jit_rosenbrock.hpp>
+
+#include "jit_util.hpp"
+#include "regression_test_dforce_dy_policy.hpp"
+
+TEST(RegressionJitRosenbrock, VectorJacobian)
+{
+  auto solver = getThreeStageMultiCellJitChapmanSolver<
+      Group3VectorMatrix,
+      Group3SparseVectorMatrix,
+      micm::JitLinearSolver<3, Group3SparseVectorMatrix>>(3);
+  testJacobian<>(solver);
+}
\ No newline at end of file
diff --git a/test/regression/RosenbrockChapman/util.hpp b/test/regression/RosenbrockChapman/util.hpp
index ec99671a7..31c942316 100644
--- a/test/regression/RosenbrockChapman/util.hpp
+++ b/test/regression/RosenbrockChapman/util.hpp
@@ -1,3 +1,5 @@
+#pragma once
+
 #include <gtest/gtest.h>
 
 #include <micm/process/arrhenius_rate_constant.hpp>
@@ -80,7 +82,8 @@ std::vector<micm::Process> createProcesses(const micm::Phase& gas_phase)
 }
 
 template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> getTwoStageMultiCellChapmanSolver(const size_t number_of_grid_cells)
+micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> getTwoStageMultiCellChapmanSolver(
+    const size_t number_of_grid_cells)
 {
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
diff --git a/test/unit/solver/test_jit_rosenbrock.cpp b/test/unit/solver/test_jit_rosenbrock.cpp
index 2ef4c01e1..52b99ded3 100644
--- a/test/unit/solver/test_jit_rosenbrock.cpp
+++ b/test/unit/solver/test_jit_rosenbrock.cpp
@@ -9,10 +9,9 @@
 #include <micm/util/sparse_matrix_vector_ordering.hpp>
 #include <micm/util/vector_matrix.hpp>
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy> getSolver(
-    std::shared_ptr<micm::JitCompiler> jit,
-    std::size_t number_of_grid_cells)
+template<std::size_t number_of_grid_cells, template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
+micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, micm::JitLinearSolver<number_of_grid_cells, SparseMatrixPolicy>>
+getSolver(std::shared_ptr<micm::JitCompiler> jit)
 {
   // ---- foo  bar  baz  quz  quuz
   // foo   0    1    2    -    -
@@ -44,20 +43,21 @@ micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy> getSolver(
   micm::Process r3 = micm::Process::create().reactants({ quz }).products({}).phase(gas_phase).rate_constant(
       micm::ArrheniusRateConstant({ .A_ = 3.5e-6 }));
 
-  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy>(
-      jit,
-      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-      std::vector<micm::Process>{ r1, r2, r3 },
-      micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells, false));
+  return micm::
+      JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, micm::JitLinearSolver<number_of_grid_cells, SparseMatrixPolicy>>(
+          jit,
+          micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+          std::vector<micm::Process>{ r1, r2, r3 },
+          micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells, false));
 }
 
 template<class T>
 using SparseMatrix = micm::SparseMatrix<T>;
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-void testAlphaMinusJacobian(std::shared_ptr<micm::JitCompiler> jit, std::size_t number_of_grid_cells)
+template<std::size_t number_of_grid_cells, template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
+void testAlphaMinusJacobian(std::shared_ptr<micm::JitCompiler> jit)
 {
-  auto solver = getSolver<MatrixPolicy, SparseMatrixPolicy>(jit, number_of_grid_cells);
+  auto solver = getSolver<number_of_grid_cells, MatrixPolicy, SparseMatrixPolicy>(jit);
   // return;
   auto jacobian = solver.jacobian_;
 
@@ -120,7 +120,7 @@ using Group3SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorO
 template<class T>
 using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<4>>;
 
-TEST(JitRosenbrockSolver, DenseAlphaMinusJacobian)
+TEST(JitRosenbrockSolver, AlphaMinusJacobian)
 {
   auto jit{ micm::JitCompiler::create() };
   if (auto err = jit.takeError())
@@ -128,12 +128,8 @@ TEST(JitRosenbrockSolver, DenseAlphaMinusJacobian)
     llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
     EXPECT_TRUE(false);
   }
-  testAlphaMinusJacobian<Group1VectorMatrix, Group1SparseVectorMatrix>(jit.get(), 1);
-  testAlphaMinusJacobian<Group2VectorMatrix, Group2SparseVectorMatrix>(jit.get(), 2);
-  testAlphaMinusJacobian<Group3VectorMatrix, Group3SparseVectorMatrix>(jit.get(), 3);
-  testAlphaMinusJacobian<Group4VectorMatrix, Group4SparseVectorMatrix>(jit.get(), 4);
-}
-
-// create mozart-micm
-// enable multiple grid cells for KPP
-// add mozart to performace
\ No newline at end of file
+  testAlphaMinusJacobian<1, Group1VectorMatrix, Group1SparseVectorMatrix>(jit.get());
+  testAlphaMinusJacobian<2, Group2VectorMatrix, Group2SparseVectorMatrix>(jit.get());
+  testAlphaMinusJacobian<3, Group3VectorMatrix, Group3SparseVectorMatrix>(jit.get());
+  testAlphaMinusJacobian<4, Group4VectorMatrix, Group4SparseVectorMatrix>(jit.get());
+}
\ No newline at end of file

From 19b3e541f140dd40c01099a7f0bf434b5bcfcf3e Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Mon, 2 Oct 2023 13:44:23 -0500
Subject: [PATCH 055/318] timing tutorial

---
 docs/CMakeLists.txt                           |   2 +-
 docs/source/user_guide/but_how_fast_is_it.rst | 100 +++++++-----
 docs/source/user_guide/index.rst              |   2 +-
 include/micm/solver/rosenbrock.hpp            |  40 +++--
 include/micm/solver/rosenbrock.inl            |   8 +-
 test/tutorial/test_but_how_fast_is_it.cpp     | 151 +++++++-----------
 6 files changed, 147 insertions(+), 156 deletions(-)

diff --git a/docs/CMakeLists.txt b/docs/CMakeLists.txt
index c48767b73..319c85f3a 100644
--- a/docs/CMakeLists.txt
+++ b/docs/CMakeLists.txt
@@ -23,7 +23,7 @@ configure_file(${DOXYFILE_IN} ${DOXYFILE_OUT} @ONLY)
 file(MAKE_DIRECTORY ${DOXYGEN_OUTPUT_DIR}) #Doxygen won't create this for us
 
 add_custom_command(
-  OUTPUT ${DOXYGEN_INDEX_FILE}
+  OUTPUT ${DOXYGEN_INDEX_FILE} __fake_file_to_ensure_this_always_run
   DEPENDS ${PUBLIC_HEADERS}
   COMMAND ${DOXYGEN_EXECUTABLE} ${DOXYFILE_OUT}
   MAIN_DEPENDENCY ${DOXYFILE_OUT} ${DOXYFILE_IN}
diff --git a/docs/source/user_guide/but_how_fast_is_it.rst b/docs/source/user_guide/but_how_fast_is_it.rst
index 6e0eb69d9..4be09365d 100644
--- a/docs/source/user_guide/but_how_fast_is_it.rst
+++ b/docs/source/user_guide/but_how_fast_is_it.rst
@@ -28,51 +28,63 @@ the appropriate tab below and be on your way! Otherwise, stick around for a line
 Line-by-line explanation
 ------------------------
 
-Up until now we have neglected to talk about what the solver returns, which is a :cpp:class:`micm::SolverResult`
+Up until now we have neglected to talk about what the solver returns, which is a :cpp:class:`micm::RosenbrockSolver::SolverResult`.
 
-Now we are ready to run the simulation.
+There are four values returned.
+
+#. :cpp:member:`micm::RosenbrockSolver::SolverResult::final_time_`
+
+    * This is the final simulation time achieved by the solver. The :cpp:func:`micm::RosenbrockSolver::Solve` function attempts to integrate the passed in state forward a set number of seconds. Often, the solver is able to complete the integration.  However, extremely stiff systems may only solve for a fraction of the time. It is imperative that the ``final_time_`` value is checked. If it is not equal to the amount of time you intended to solve for, call solve again as we do in the tutorials with the difference between what was solved and how long you intended to solve.
+
+      .. note::
+        This does **not** represent the amount of time taken by the solve routine. You must measure that yourself(shown below). The ``final_time_`` is simulation time.
+
+#. :cpp:member:`micm::RosenbrockSolver::SolverResult::result_`
+
+    * This contains the integrated state value; the concentrations reached at the end of Solve function after the amount of time specified by ``final_time_``.
+
+#. :cpp:member:`micm::RosenbrockSolver::SolverResult::state_`
+
+    * There are many possible reasons for the solver to return. This value is one of the possible enum values define on the :cpp:enum:`micm::SolverState`. Hopefully, you receive a :cpp:enumerator:`micm::SolverState::Converged` state. But, it is good to always check this to ensure the solver really did converge. You can print this value using the :cpp:func:`micm::StateToString` function.
+
+#. :cpp:member:`micm::RosenbrockSolver::SolverResult::stats_`
+
+    * This is an instance of a :cpp:class:`micm::RosenbrockSolver::SolverStats` struct which contains information about the number of function calls and optionally the total cumulative amount of time spent calling each function. For the time to be collected, you must call the ``Solve`` function with a ``true`` templated parameter. Please see the example below.
+
+First, let's run the simulation but without collecting the solve time. We'll inspect the solver state and look at what's collected
+in the stats object. 
 
 .. literalinclude:: ../../../test/tutorial/test_but_how_fast_is_it.cpp
   :language: cpp
-  :lines: 110-133
-
-
-And these are the results.
-
-.. csv-table::
-   :header: "time", "grid", "A", "B", "C"
-   :widths: 6, 6, 10, 10, 10
-
-   0, 1, 1.00e+00, 0.00e+00, 0.00e+00
-   0, 2, 2.00e+00, 0.00e+00, 0.00e+00
-   0, 3, 5.00e-01, 0.00e+00, 0.00e+00
-   200, 1, 5.35e-01, 4.49e-06, 4.65e-01
-   200, 2, 1.21e+00, 6.01e-06, 7.89e-01
-   200, 3, 2.30e-01, 3.31e-06, 2.70e-01
-   400, 1, 4.50e-01, 3.23e-06, 5.50e-01
-   400, 2, 1.05e+00, 4.42e-06, 9.45e-01
-   400, 3, 1.85e-01, 2.32e-06, 3.15e-01
-   600, 1, 4.00e-01, 2.63e-06, 6.00e-01
-   600, 2, 9.59e-01, 3.65e-06, 1.04e+00
-   600, 3, 1.60e-01, 1.85e-06, 3.40e-01
-   800, 1, 3.64e-01, 2.27e-06, 6.36e-01
-   800, 2, 8.90e-01, 3.18e-06, 1.11e+00
-   800, 3, 1.42e-01, 1.57e-06, 3.58e-01
-   1000, 1, 3.37e-01, 2.01e-06, 6.63e-01
-   1000, 2, 8.35e-01, 2.85e-06, 1.16e+00
-   1000, 3, 1.29e-01, 1.38e-06, 3.71e-01
-   1200, 1, 3.15e-01, 1.82e-06, 6.85e-01
-   1200, 2, 7.91e-01, 2.60e-06, 1.21e+00
-   1200, 3, 1.19e-01, 1.24e-06, 3.81e-01
-   1400, 1, 2.96e-01, 1.67e-06, 7.04e-01
-   1400, 2, 7.54e-01, 2.40e-06, 1.25e+00
-   1400, 3, 1.11e-01, 1.13e-06, 3.89e-01
-   1600, 1, 2.81e-01, 1.55e-06, 7.19e-01
-   1600, 2, 7.21e-01, 2.24e-06, 1.28e+00
-   1600, 3, 1.04e-01, 1.04e-06, 3.96e-01
-   1800, 1, 2.67e-01, 1.45e-06, 7.33e-01
-   1800, 2, 6.93e-01, 2.11e-06, 1.31e+00
-   1800, 3, 9.77e-02, 9.65e-07, 4.02e-01
-   2000, 1, 2.55e-01, 1.37e-06, 7.45e-01
-   2000, 2, 6.68e-01, 2.00e-06, 1.33e+00
-   2000, 3, 9.25e-02, 9.02e-07, 4.07e-01
\ No newline at end of file
+  :lines: 75-86
+
+.. code-block:: console
+
+  Solver state: Converged
+  accepted: 20
+  function_calls: 40
+  jacobian_updates: 20
+  number_of_steps: 20
+  accepted: 20
+  rejected: 0
+  decompositions: 20
+  solves: 60
+  singular: 0
+
+To get the total accumulated time of each function call, you need to specify the templated boolean argument to turn the timing on.
+We can also record the total runtime of the ``Solve`` function.
+
+.. literalinclude:: ../../../test/tutorial/test_but_how_fast_is_it.cpp
+  :language: cpp
+  :lines: 88-96
+
+.. code-block:: console
+
+  Total solve time: 24416 nanoseconds
+  total_forcing_time: 3167 nanoseconds
+  total_jacobian_time: 1710 nanoseconds
+  total_linear_factor_time: 4584 nanoseconds
+  total_linear_solve_time: 3290 nanoseconds
+
+.. note::
+  Your systems clock may not report the same values depending on how accurate your system clock is. 
\ No newline at end of file
diff --git a/docs/source/user_guide/index.rst b/docs/source/user_guide/index.rst
index ce4d56531..f8f5e0e14 100644
--- a/docs/source/user_guide/index.rst
+++ b/docs/source/user_guide/index.rst
@@ -14,7 +14,7 @@ If you happen to find our examples are lacking for your needs, please,
    :maxdepth: 1
    :caption: Contents:
 
-   but_how_fast_is_it
    rate_constant_tutorial
    user_defined_rate_constant_tutorial
    multiple_grid_cells
+   but_how_fast_is_it
diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index affa50370..fad379736 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -129,12 +129,19 @@ namespace micm
   /// @brief The final state the solver was in after the Solve function finishes
   enum class SolverState
   {
+    /// @brief This is the initial value at the start of the Solve function
     NotYetCalled,
+    /// @brief This is only used for control flow in the Solve function
     Running,
+    /// @brief A successful integration will have this value
     Converged,
+    /// @brief If the number of steps exceeds the maximum value on the solver parameter, this value will be returned
     ConvergenceExceededMaxSteps,
+    /// @brief Very stiff systems will likely result in a step size that is not useable for the solver
     StepSizeTooSmall,
+    /// @brief Matrices that are singular more than once will set this value. At present, this should never be returned
     RepeatedlySingularMatrix,
+    /// @brief Mostly this value is returned by systems that tend toward chemical explosions
     NaNDetected
   };
 
@@ -149,21 +156,32 @@ namespace micm
    public:
     struct SolverStats
     {
-      uint64_t function_calls{};    // Nfun
-      uint64_t jacobian_updates{};  // Njac
-      uint64_t number_of_steps{};   // Nstp
-      uint64_t accepted{};          // Nacc
-      uint64_t rejected{};          // Nrej
-      uint64_t decompositions{};    // Ndec
-      uint64_t solves{};            // Nsol
-      uint64_t singular{};          // Nsng
-      uint64_t total_steps{};       // Ntotstp
-
+      /// @brief The number of forcing function calls
+      uint64_t function_calls{};
+      /// @brief The number of jacobian function calls
+      uint64_t jacobian_updates{};
+      /// @brief The total number of internal time steps taken
+      uint64_t number_of_steps{};
+      /// @brief The number of accepted integrations
+      uint64_t accepted{};
+      /// @brief The number of rejected integrations
+      uint64_t rejected{};
+      /// @brief The number of LU decompositions
+      uint64_t decompositions{};
+      /// @brief The number of linear solvers
+      uint64_t solves{};
+      /// @brief The number of times a singular matrix is detected. For now, this will always be zero as we assume the matrix is never singular
+      uint64_t singular{};
+      /// @brief The cumulative amount of time spent calculating the forcing function
       std::chrono::duration<double, std::nano> total_forcing_time{};
+      /// @brief The cumulative amount of time spent calculating the jacobian
       std::chrono::duration<double, std::nano> total_jacobian_time{};
+      /// @brief The cumulative amount of time spent calculating the linear factorization
       std::chrono::duration<double, std::nano> total_linear_factor_time{};
+      /// @brief The cumulative amount of time spent calculating the linear solve
       std::chrono::duration<double, std::nano> total_linear_solve_time{};
 
+      /// @brief Set all member variables to zero
       void Reset();
     };
 
@@ -171,7 +189,7 @@ namespace micm
     {
       /// @brief The new state computed by the solver
       MatrixPolicy<double> result_{};
-      /// @brief The finals state the solver was in
+      /// @brief The final state the solver was in
       SolverState state_ = SolverState::NotYetCalled;
       /// @brief A collection of runtime state for this call of the solver
       SolverStats stats_{};
diff --git a/include/micm/solver/rosenbrock.inl b/include/micm/solver/rosenbrock.inl
index 6b3e1b381..651c538b2 100644
--- a/include/micm/solver/rosenbrock.inl
+++ b/include/micm/solver/rosenbrock.inl
@@ -4,9 +4,9 @@
 #define TIMED_METHOD(assigned_increment, time_it, method, ...) \
     { \
       if constexpr (time_it) { \
-          auto start = std::chrono::steady_clock::now(); \
+          auto start = std::chrono::high_resolution_clock::now(); \
           method(__VA_ARGS__); \
-          auto end = std::chrono::steady_clock::now(); \
+          auto end = std::chrono::high_resolution_clock::now(); \
           assigned_increment += std::chrono::duration_cast<std::chrono::nanoseconds>(end - start); \
       } else { \
           method(__VA_ARGS__); \
@@ -389,7 +389,6 @@ namespace micm
     decompositions = 0;
     solves = 0;
     singular = 0;
-    total_steps = 0;
     total_forcing_time = std::chrono::nanoseconds::zero();
     total_jacobian_time = std::chrono::nanoseconds::zero();
     total_linear_factor_time = std::chrono::nanoseconds::zero();
@@ -608,10 +607,9 @@ namespace micm
                 parameters_.safety_factor_ / std::pow(error, 1 / parameters_.estimator_of_local_order_)));
         double Hnew = H * fac;
 
-        // Check the error magnitude and adjust step size
         stats_.number_of_steps += 1;
-        stats_.total_steps += 1;
 
+        // Check the error magnitude and adjust step size
         if (std::isnan(error))
         {
           Y.AsVector().assign(Ynew.AsVector().begin(), Ynew.AsVector().end());
diff --git a/test/tutorial/test_but_how_fast_is_it.cpp b/test/tutorial/test_but_how_fast_is_it.cpp
index 851e268dd..0cb133a83 100644
--- a/test/tutorial/test_but_how_fast_is_it.cpp
+++ b/test/tutorial/test_but_how_fast_is_it.cpp
@@ -1,8 +1,8 @@
 #include <iomanip>
 #include <iostream>
-
 #include <micm/process/user_defined_rate_constant.hpp>
 #include <micm/solver/rosenbrock.hpp>
+#include <chrono>
 
 // Use our namespace so that this example is easier to read
 using namespace micm;
@@ -13,80 +13,41 @@ using namespace micm;
 template<class T>
 using SparseMatrixPolicy = SparseMatrix<T>;
 
-void print_header()
-{
-  std::cout << std::setw(5) << "time"
-            << "," << std::setw(5) << "grid"
-            << "," << std::setw(10) << "A"
-            << "," << std::setw(10) << "B"
-            << "," << std::setw(10) << "C" << std::endl;
-}
-
-template<template<class> class T>
-void print_state(double time, State<T>& state)
-{
-  std::ios oldState(nullptr);
-  oldState.copyfmt(std::cout);
-
-  std::cout << std::setw(5) << time << ",";
-  std::cout << std::scientific << std::setprecision(2) << std::setw(6) << "1," << std::setw(10)
-            << state.variables_[0][state.variable_map_["A"]] << "," << std::setw(10)
-            << state.variables_[0][state.variable_map_["B"]] << "," << std::setw(10)
-            << state.variables_[0][state.variable_map_["C"]] << std::endl;
-
-  std::cout.copyfmt(oldState);
-  std::cout << std::setw(5) << time << ",";
-  std::cout << std::scientific << std::setprecision(2) << std::setw(6) << "2," << std::setw(10)
-            << state.variables_[1][state.variable_map_["A"]] << "," << std::setw(10)
-            << state.variables_[1][state.variable_map_["B"]] << "," << std::setw(10)
-            << state.variables_[1][state.variable_map_["C"]] << std::endl;
-
-  std::cout.copyfmt(oldState);
-  std::cout << std::setw(5) << time << ",";
-  std::cout << std::scientific << std::setprecision(2) << std::setw(6) << "3," << std::setw(10)
-            << state.variables_[2][state.variable_map_["A"]] << "," << std::setw(10)
-            << state.variables_[2][state.variable_map_["B"]] << "," << std::setw(10)
-            << state.variables_[2][state.variable_map_["C"]] << std::endl;
-
-  std::cout.copyfmt(oldState);
-}
-
 int main()
 {
-  auto a = micm::Species("A");
-  auto b = micm::Species("B");
-  auto c = micm::Species("C");
-
-  micm::Phase gas_phase{ std::vector<micm::Species>{ a, b, c } };
-
-  micm::Process r1 = micm::Process::create()
-                         .reactants({ a })
-                         .products({ yields(b, 1) })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r1" }))
-                         .phase(gas_phase);
-
-  micm::Process r2 = micm::Process::create()
-                         .reactants({ b, b })
-                         .products({ yields(b, 1), yields(c, 1) })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r2" }))
-                         .phase(gas_phase);
-
-  micm::Process r3 = micm::Process::create()
-                         .reactants({ b, c })
-                         .products({ yields(a, 1), yields(c, 1) })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r3" }))
-                         .phase(gas_phase);
-
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixPolicy> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2, r3 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(3, false)
-  };
+  auto a = Species("A");
+  auto b = Species("B");
+  auto c = Species("C");
+
+  Phase gas_phase{ std::vector<Species>{ a, b, c } };
+
+  Process r1 = Process::create()
+                   .reactants({ a })
+                   .products({ yields(b, 1) })
+                   .rate_constant(UserDefinedRateConstant({ .label_ = "r1" }))
+                   .phase(gas_phase);
+
+  Process r2 = Process::create()
+                   .reactants({ b, b })
+                   .products({ yields(b, 1), yields(c, 1) })
+                   .rate_constant(UserDefinedRateConstant({ .label_ = "r2" }))
+                   .phase(gas_phase);
+
+  Process r3 = Process::create()
+                   .reactants({ b, c })
+                   .products({ yields(a, 1), yields(c, 1) })
+                   .rate_constant(UserDefinedRateConstant({ .label_ = "r3" }))
+                   .phase(gas_phase);
+
+  RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{ System(SystemParameters{ .gas_phase_ = gas_phase }),
+                                                       std::vector<Process>{ r1, r2, r3 },
+                                                       RosenbrockSolverParameters::three_stage_rosenbrock_parameters(
+                                                           3, false) };
 
   State<Matrix> state = solver.GetState();
 
   // mol m-3
-  state.SetConcentration(a, std::vector<double>{1, 2, 0.5 });
+  state.SetConcentration(a, std::vector<double>{ 1, 2, 0.5 });
   state.SetConcentration(b, std::vector<double>(3, 0));
   state.SetConcentration(c, std::vector<double>(3, 0));
 
@@ -97,11 +58,12 @@ int main()
   state.SetCustomRateParameter("r2", std::vector<double>(3, k2));
   state.SetCustomRateParameter("r3", std::vector<double>(3, k3));
 
-  double temperature = 272.5; // [K]
-  double pressure = 101253.3; // [Pa]
-  double air_density = 1e6;   // [mol m-3]
+  double temperature = 272.5;  // [K]
+  double pressure = 101253.3;  // [Pa]
+  double air_density = 1e6;    // [mol m-3]
 
-  for(size_t cell = 0; cell < solver.parameters_.number_of_grid_cells_; ++cell) {
+  for (size_t cell = 0; cell < solver.parameters_.number_of_grid_cells_; ++cell)
+  {
     state.conditions_[cell].temperature_ = temperature;
     state.conditions_[cell].pressure_ = pressure;
     state.conditions_[cell].air_density_ = air_density;
@@ -110,25 +72,26 @@ int main()
   // choose a timestep and print the initial state
   double time_step = 200;  // s
 
-  print_header();
-  print_state(0, state);
-
-  // solve for ten iterations
-  for (int i = 0; i < 10; ++i)
-  {
-    // Depending on how stiff the system is
-    // the solver integration step may not be able to solve for the full time step
-    // so we need to track how much time the solver was able to integrate for and continue
-    // solving until we finish
-    double elapsed_solve_time = 0;
-
-    while (elapsed_solve_time < time_step)
-    {
-      auto result = solver.Solve(time_step - elapsed_solve_time, state);
-      elapsed_solve_time = result.final_time_;
-      state.variables_ = result.result_;
-    }
-
-    print_state(time_step * (i + 1), state);
-  }
+  auto result = solver.Solve(time_step, state);
+  std::cout << "Solver state: " << StateToString(result.state_) << std::endl;
+  std::cout << "accepted: " << result.stats_.accepted << std::endl;
+  std::cout << "function_calls: " << result.stats_.function_calls << std::endl;
+  std::cout << "jacobian_updates: " << result.stats_.jacobian_updates << std::endl;
+  std::cout << "number_of_steps: " << result.stats_.number_of_steps << std::endl;
+  std::cout << "accepted: " << result.stats_.accepted << std::endl;
+  std::cout << "rejected: " << result.stats_.rejected << std::endl;
+  std::cout << "decompositions: " << result.stats_.decompositions << std::endl;
+  std::cout << "solves: " << result.stats_.solves << std::endl;
+  std::cout << "singular: " << result.stats_.singular << std::endl;
+  std::cout << "final simulation time: " << result.final_time_ << std::endl;
+
+  auto start = std::chrono::high_resolution_clock::now();
+  result = solver.Solve<true>(time_step, state);
+  auto end = std::chrono::high_resolution_clock::now();
+  auto solve_time = std::chrono::duration_cast<std::chrono::nanoseconds>(end - start);
+  std::cout << "Total solve time: " << solve_time.count() << " nanoseconds" << std::endl;
+  std::cout << "total_forcing_time: " << result.stats_.total_forcing_time.count() << " nanoseconds" << std::endl;
+  std::cout << "total_jacobian_time: " << result.stats_.total_jacobian_time.count() << " nanoseconds" << std::endl;
+  std::cout << "total_linear_factor_time: " << result.stats_.total_linear_factor_time.count() << " nanoseconds" << std::endl;
+  std::cout << "total_linear_solve_time: " << result.stats_.total_linear_solve_time.count() << " nanoseconds" << std::endl;
 }
\ No newline at end of file

From eeea93cf44f579b94c17c0a427e7bae701d70575 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Mon, 2 Oct 2023 14:05:54 -0500
Subject: [PATCH 056/318] better representation

---
 docs/source/user_guide/but_how_fast_is_it.rst | 90 +++++++++++++++++++
 1 file changed, 90 insertions(+)
 create mode 100644 docs/source/user_guide/but_how_fast_is_it.rst

diff --git a/docs/source/user_guide/but_how_fast_is_it.rst b/docs/source/user_guide/but_how_fast_is_it.rst
new file mode 100644
index 000000000..9db5a6166
--- /dev/null
+++ b/docs/source/user_guide/but_how_fast_is_it.rst
@@ -0,0 +1,90 @@
+.. _But how fast is it:
+
+But how fast is it?
+===================
+
+This tutorial will focus on timing the solver to show how you can measure performance.
+We will use a simple 3-reaction 3-species mechanism. The setup here is the same in
+:ref:`Multiple grid cells`. To understand the full setup, read that tutorial. Otherwise,
+we assume that configuring a rosenbrock solver is understood and instead we will focus on timing 
+the solver.
+
+.. math::
+
+  A &\longrightarrow B, &k_{1, \mathrm{user\ defined}} \\
+  2B &\longrightarrow B + C, &k_{2, \mathrm{user\ defined}} \\
+  B + C &\longrightarrow A + C, \qquad &k_{3, \mathrm{user\ defined}} \\
+
+If you're looking for a copy and paste, choose
+the appropriate tab below and be on your way! Otherwise, stick around for a line by line explanation.
+
+.. tabs::
+
+    .. tab:: Build the Mechanism with the API
+
+      .. literalinclude:: ../../../test/tutorial/test_but_how_fast_is_it.cpp
+        :language: cpp
+        
+Line-by-line explanation
+------------------------
+
+Up until now we have neglected to talk about what the solver returns, which is a :cpp:class:`micm::RosenbrockSolver::SolverResult`.
+
+There are four values returned.
+
+#. :cpp:member:`micm::RosenbrockSolver::SolverResult::final_time_`
+
+    * This is the final simulation time achieved by the solver. The :cpp:func:`micm::RosenbrockSolver::Solve` function attempts to integrate the passed in state forward a set number of seconds. Often, the solver is able to complete the integration.  However, extremely stiff systems may only solve for a fraction of the time. It is imperative that the ``final_time_`` value is checked. If it is not equal to the amount of time you intended to solve for, call solve again as we do in the tutorials with the difference between what was solved and how long you intended to solve.
+
+      .. note::
+        This does **not** represent the amount of time taken by the solve routine. You must measure that yourself(shown below). The ``final_time_`` is simulation time.
+
+#. :cpp:member:`micm::RosenbrockSolver::SolverResult::result_`
+
+    * This contains the integrated state value; the concentrations reached at the end of Solve function after the amount of time specified by ``final_time_``.
+
+#. :cpp:member:`micm::RosenbrockSolver::SolverResult::state_`
+
+    * There are many possible reasons for the solver to return. This value is one of the possible enum values define on the :cpp:enum:`micm::SolverState`. Hopefully, you receive a :cpp:enumerator:`micm::SolverState::Converged` state. But, it is good to always check this to ensure the solver really did converge. You can print this value using the :cpp:func:`micm::StateToString` function.
+
+#. :cpp:member:`micm::RosenbrockSolver::SolverResult::stats_`
+
+    * This is an instance of a :cpp:class:`micm::RosenbrockSolver::SolverStats` struct which contains information about the number of function calls and optionally the total cumulative amount of time spent calling each function. For the time to be collected, you must call the ``Solve`` function with a ``true`` templated parameter. Please see the example below.
+
+First, let's run the simulation but without collecting the solve time. We'll inspect the solver state and look at what's collected
+in the stats object. 
+
+.. literalinclude:: ../../../test/tutorial/test_but_how_fast_is_it.cpp
+  :language: cpp
+  :lines: 75-86
+
+.. code-block:: console
+
+  Solver state: Converged
+  accepted: 20
+  function_calls: 40
+  jacobian_updates: 20
+  number_of_steps: 20
+  accepted: 20
+  rejected: 0
+  decompositions: 20
+  solves: 60
+  singular: 0
+
+To get the total accumulated time of each function call, you need to specify the templated boolean argument to turn the timing on.
+We can also record the total runtime of the ``Solve`` function.
+
+.. literalinclude:: ../../../test/tutorial/test_but_how_fast_is_it.cpp
+  :language: cpp
+  :lines: 88-96
+
+.. code-block:: console
+
+  Total solve time: 24416 nanoseconds
+  total_forcing_time: 3167 nanoseconds
+  total_jacobian_time: 1710 nanoseconds
+  total_linear_factor_time: 4584 nanoseconds
+  total_linear_solve_time: 3290 nanoseconds
+
+.. note::
+  Your systems clock may not report the same granularity depending on how accurate your system clock is. 
\ No newline at end of file

From 56ed6e7f32a485bd36ed11a0f4b3bcd66f1c0304 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Mon, 2 Oct 2023 14:16:26 -0500
Subject: [PATCH 057/318] added moar detail

---
 docs/source/user_guide/but_how_fast_is_it.rst | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/docs/source/user_guide/but_how_fast_is_it.rst b/docs/source/user_guide/but_how_fast_is_it.rst
index 9db5a6166..85cbfbfc9 100644
--- a/docs/source/user_guide/but_how_fast_is_it.rst
+++ b/docs/source/user_guide/but_how_fast_is_it.rst
@@ -72,7 +72,9 @@ in the stats object.
   singular: 0
 
 To get the total accumulated time of each function call, you need to specify the templated boolean argument to turn the timing on.
-We can also record the total runtime of the ``Solve`` function.
+We can also record the total runtime of the ``Solve`` function. Through the magic of templates, the timing information is only
+collected when you use the ``true`` version of the templated function. These values are not even computed, meaning no CPU cycles are 
+wasted, for the ``false`` version.
 
 .. literalinclude:: ../../../test/tutorial/test_but_how_fast_is_it.cpp
   :language: cpp

From 69d97f6becbb6763f33d92af2e6b1717dfa986ec Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Mon, 2 Oct 2023 16:14:32 -0500
Subject: [PATCH 058/318] wrote the tutorial code for solver configurations

---
 docs/source/user_guide/index.rst              |   1 +
 .../user_guide/solver_configurations.rst      |  31 +++
 test/tutorial/CMakeLists.txt                  |   1 +
 test/tutorial/test_solver_configuration.cpp   | 188 ++++++++++++++++++
 4 files changed, 221 insertions(+)
 create mode 100644 docs/source/user_guide/solver_configurations.rst
 create mode 100644 test/tutorial/test_solver_configuration.cpp

diff --git a/docs/source/user_guide/index.rst b/docs/source/user_guide/index.rst
index e579327ff..3dff99d64 100644
--- a/docs/source/user_guide/index.rst
+++ b/docs/source/user_guide/index.rst
@@ -17,3 +17,4 @@ If you happen to find our examples are lacking for your needs, please,
    rate_constant_tutorial
    user_defined_rate_constant_tutorial
    multiple_grid_cells
+   solver_configurations
diff --git a/docs/source/user_guide/solver_configurations.rst b/docs/source/user_guide/solver_configurations.rst
new file mode 100644
index 000000000..917cfd7f6
--- /dev/null
+++ b/docs/source/user_guide/solver_configurations.rst
@@ -0,0 +1,31 @@
+.. _Solver configurations:
+
+Solver configurations
+=====================
+
+This tutorial will focus on configuring the solver with different stages.
+We will use a simple 3-reaction 3-species mechanism. The setup here is the same in
+:ref:`Multiple grid cells`, except only one grid cell is used.
+
+.. math::
+
+  A &\longrightarrow B, &k_{1, \mathrm{user\ defined}} \\
+  2B &\longrightarrow B + C, &k_{2, \mathrm{user\ defined}} \\
+  B + C &\longrightarrow A + C, \qquad &k_{3, \mathrm{user\ defined}} \\
+
+If you're looking for a copy and paste, choose
+the appropriate tab below and be on your way! Otherwise, stick around for a line by line explanation.
+
+.. tabs::
+
+    .. tab:: Build the Mechanism with the API
+
+      .. literalinclude:: ../../../test/tutorial/test_solver_configuration.cpp
+        :language: cpp
+        
+Line-by-line explanation
+------------------------
+
+.. literalinclude:: ../../../test/tutorial/test_solver_configuration.cpp
+  :language: cpp
+  :lines: 88-96
diff --git a/test/tutorial/CMakeLists.txt b/test/tutorial/CMakeLists.txt
index a65cec863..4cac7925d 100644
--- a/test/tutorial/CMakeLists.txt
+++ b/test/tutorial/CMakeLists.txt
@@ -11,6 +11,7 @@ create_standard_test(NAME README_example SOURCES test_README_example.cpp)
 create_standard_test(NAME multiple_grid_cells SOURCES test_multiple_grid_cells.cpp)
 create_standard_test(NAME rate_constants_no_user_defined_example_by_hand SOURCES test_rate_constants_no_user_defined_by_hand.cpp)
 create_standard_test(NAME rate_constants_user_defined_example_by_hand SOURCES test_rate_constants_user_defined_by_hand.cpp)
+create_standard_test(NAME solver_configuration SOURCES test_solver_configuration.cpp)
 if(ENABLE_JSON)
   create_standard_test(NAME rate_constants_no_user_defined_example_with_config SOURCES test_rate_constants_no_user_defined_with_config.cpp)
   create_standard_test(NAME rate_constants_user_defined_example_with_config SOURCES test_rate_constants_user_defined_with_config.cpp)
diff --git a/test/tutorial/test_solver_configuration.cpp b/test/tutorial/test_solver_configuration.cpp
new file mode 100644
index 000000000..533a7eb64
--- /dev/null
+++ b/test/tutorial/test_solver_configuration.cpp
@@ -0,0 +1,188 @@
+#include <iomanip>
+#include <iostream>
+#include <chrono>
+#include <micm/process/user_defined_rate_constant.hpp>
+#include <micm/solver/rosenbrock.hpp>
+
+// Use our namespace so that this example is easier to read
+using namespace micm;
+
+// The Rosenbrock solver can use many matrix ordering types
+// Here, we use the default ordering, but we still need to provide a templated
+// Arguent to the solver so it can use the proper ordering with any data type
+template<class T>
+using SparseMatrixPolicy = SparseMatrix<T>;
+
+void print_header()
+{
+  std::cout << std::setw(5) << "time"
+            << "," << std::setw(10) << "A"
+            << "," << std::setw(10) << "B"
+            << "," << std::setw(10) << "C" << std::endl;
+}
+
+template<template<class> class T>
+void print_state(double time, State<T>& state)
+{
+  std::ios oldState(nullptr);
+  oldState.copyfmt(std::cout);
+
+  std::cout << std::setw(5) << time << ",";
+  std::cout << std::scientific << std::setprecision(2) 
+    << std::setw(10) << state.variables_[0][state.variable_map_["A"]] << "," 
+    << std::setw(10) << state.variables_[0][state.variable_map_["B"]] << "," 
+    << std::setw(10) << state.variables_[0][state.variable_map_["C"]] 
+    << std::endl;
+
+  std::cout.copyfmt(oldState);
+}
+
+template<typename T>
+void test_solver_type(T solver)
+{
+  State<Matrix> state = solver.GetState();
+
+  // mol m-3
+  state.variables_[0] = {1, 0, 0};
+
+  double k1 = 0.04;
+  double k2 = 3e7;
+  double k3 = 1e4;
+  state.SetCustomRateParameter("r1", k1);
+  state.SetCustomRateParameter("r2", k2);
+  state.SetCustomRateParameter("r3", k3);
+
+  double temperature = 272.5;  // [K]
+  double pressure = 101253.3;  // [Pa]
+  double air_density = 1e6;    // [mol m-3]
+
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.conditions_[0].air_density_ = air_density;
+
+  // choose a timestep and print the initial state
+  double time_step = 200;  // s
+
+  print_header();
+  print_state(0, state);
+
+  typename T::SolverStats total_stats;
+  std::chrono::duration<double, std::nano> total_solve_time = std::chrono::nanoseconds::zero();;
+
+
+  // solve for ten iterations
+  for (int i = 0; i < 10; ++i)
+  {
+    // Depending on how stiff the system is
+    // the solver integration step may not be able to solve for the full time step
+    // so we need to track how much time the solver was able to integrate for and continue
+    // solving until we finish
+    double elapsed_solve_time = 0;
+
+    while (elapsed_solve_time < time_step)
+    {
+      auto start = std::chrono::high_resolution_clock::now();
+      auto result = solver.template Solve<true>(time_step - elapsed_solve_time, state);
+      auto end = std::chrono::high_resolution_clock::now();
+
+      total_solve_time += std::chrono::duration_cast<std::chrono::nanoseconds>(end - start);
+      total_stats.function_calls += result.stats_.function_calls;
+      total_stats.jacobian_updates += result.stats_.jacobian_updates;
+      total_stats.number_of_steps += result.stats_.number_of_steps;
+      total_stats.accepted += result.stats_.accepted;
+      total_stats.rejected += result.stats_.rejected;
+      total_stats.decompositions += result.stats_.decompositions;
+      total_stats.solves += result.stats_.solves;
+      total_stats.singular += result.stats_.singular;
+      total_stats.total_steps += result.stats_.total_steps;
+      total_stats.total_forcing_time += result.stats_.total_forcing_time;
+      total_stats.total_jacobian_time += result.stats_.total_jacobian_time;
+      total_stats.total_linear_factor_time += result.stats_.total_linear_factor_time;
+      total_stats.total_linear_solve_time += result.stats_.total_linear_solve_time;
+
+      elapsed_solve_time = result.final_time_;
+      state.variables_ = result.result_;
+    }
+
+    print_state(time_step * (i + 1), state);
+  }
+  std::cout << "Total solve time: " << total_solve_time.count() << " nanoseconds" << std::endl;
+  std::cout << "accepted: " << total_stats.accepted << std::endl;
+  std::cout << "function_calls: " << total_stats.function_calls << std::endl;
+  std::cout << "jacobian_updates: " << total_stats.jacobian_updates << std::endl;
+  std::cout << "number_of_steps: " << total_stats.number_of_steps << std::endl;
+  std::cout << "accepted: " << total_stats.accepted << std::endl;
+  std::cout << "rejected: " << total_stats.rejected << std::endl;
+  std::cout << "decompositions: " << total_stats.decompositions << std::endl;
+  std::cout << "solves: " << total_stats.solves << std::endl;
+  std::cout << "singular: " << total_stats.singular << std::endl;
+  std::cout << "total_forcing_time: " << total_stats.total_forcing_time.count() << " nanoseconds" << std::endl;
+  std::cout << "total_jacobian_time: " << total_stats.total_jacobian_time.count() << " nanoseconds" << std::endl;
+  std::cout << "total_linear_factor_time: " << total_stats.total_linear_factor_time.count() << " nanoseconds" << std::endl;
+  std::cout << "total_linear_solve_time: " << total_stats.total_linear_solve_time.count() << " nanoseconds" << std::endl;
+}
+
+int main()
+{
+  auto a = Species("A");
+  auto b = Species("B");
+  auto c = Species("C");
+
+  Phase gas_phase{ std::vector<Species>{ a, b, c } };
+
+  Process r1 = Process::create()
+                   .reactants({ a })
+                   .products({ yields(b, 1) })
+                   .rate_constant(UserDefinedRateConstant({ .label_ = "r1" }))
+                   .phase(gas_phase);
+
+  Process r2 = Process::create()
+                   .reactants({ b, b })
+                   .products({ yields(b, 1), yields(c, 1) })
+                   .rate_constant(UserDefinedRateConstant({ .label_ = "r2" }))
+                   .phase(gas_phase);
+
+  Process r3 = Process::create()
+                   .reactants({ b, c })
+                   .products({ yields(a, 1), yields(c, 1) })
+                   .rate_constant(UserDefinedRateConstant({ .label_ = "r3" }))
+                   .phase(gas_phase);
+
+  auto system = System(SystemParameters{ .gas_phase_ = gas_phase });
+  auto reactions = std::vector<Process>{ r1, r2, r3 };
+
+  RosenbrockSolver<Matrix, SparseMatrixPolicy> two_stage{
+    system, reactions, RosenbrockSolverParameters::two_stage_rosenbrock_parameters()
+  };
+
+  RosenbrockSolver<Matrix, SparseMatrixPolicy> three_stage{
+    system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+  };
+
+  RosenbrockSolver<Matrix, SparseMatrixPolicy> four_stage{
+    system, reactions, RosenbrockSolverParameters::four_stage_rosenbrock_parameters()
+  };
+
+  RosenbrockSolver<Matrix, SparseMatrixPolicy> four_stage_da{
+    system, reactions, RosenbrockSolverParameters::four_stage_differential_algebraic_rosenbrock_parameters()
+  };
+
+  RosenbrockSolver<Matrix, SparseMatrixPolicy> six_stage_da{
+    system, reactions, RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters()
+  };
+
+  std::cout << "Two stages: " << std::endl;
+  test_solver_type(two_stage);
+
+  std::cout << std::endl << "Three stages: " << std::endl;
+  test_solver_type(three_stage);
+
+  std::cout << std::endl << "Four stages: " << std::endl;
+  test_solver_type(four_stage);
+
+  std::cout << std::endl << "Four stages differential algebraic: " << std::endl;
+  test_solver_type(four_stage_da);
+
+  std::cout << std::endl << "Six stages differential algebraic: " << std::endl;
+  test_solver_type(six_stage_da);
+}
\ No newline at end of file

From 0d3a86dd2c05c124b7a93d252fea6621a5070f2d Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Mon, 2 Oct 2023 16:34:07 -0500
Subject: [PATCH 059/318] added bibliography

---
 docs/requirements.txt                         |   3 +-
 .../citing_and_bibliography/bibliography.rst  |   7 +
 .../citation.rst                              |   0
 docs/source/citing_and_bibliography/index.rst |  10 ++
 docs/source/conf.py                           |   4 +
 docs/source/getting_started.rst               |  23 +--
 docs/source/index.rst                         |   2 +-
 docs/source/references.bib                    | 154 ++++++++++++++++++
 .../user_guide/solver_configurations.rst      |   3 +
 9 files changed, 193 insertions(+), 13 deletions(-)
 create mode 100644 docs/source/citing_and_bibliography/bibliography.rst
 rename docs/source/{ => citing_and_bibliography}/citation.rst (100%)
 create mode 100644 docs/source/citing_and_bibliography/index.rst
 create mode 100644 docs/source/references.bib

diff --git a/docs/requirements.txt b/docs/requirements.txt
index 46798caed..54661a4bb 100644
--- a/docs/requirements.txt
+++ b/docs/requirements.txt
@@ -3,4 +3,5 @@ sphinx
 sphinx-book-theme
 sphinx-copybutton
 sphinx-design
-sphinx-tabs
\ No newline at end of file
+sphinx-tabs
+sphinxcontrib-bibtex
\ No newline at end of file
diff --git a/docs/source/citing_and_bibliography/bibliography.rst b/docs/source/citing_and_bibliography/bibliography.rst
new file mode 100644
index 000000000..a066e9074
--- /dev/null
+++ b/docs/source/citing_and_bibliography/bibliography.rst
@@ -0,0 +1,7 @@
+
+############
+Bibliography
+############
+
+.. bibliography::
+   :all:
\ No newline at end of file
diff --git a/docs/source/citation.rst b/docs/source/citing_and_bibliography/citation.rst
similarity index 100%
rename from docs/source/citation.rst
rename to docs/source/citing_and_bibliography/citation.rst
diff --git a/docs/source/citing_and_bibliography/index.rst b/docs/source/citing_and_bibliography/index.rst
new file mode 100644
index 000000000..a8b5c7a57
--- /dev/null
+++ b/docs/source/citing_and_bibliography/index.rst
@@ -0,0 +1,10 @@
+
+Citations and Bibliography
+==========================
+
+.. toctree::
+   :maxdepth: 1
+   :caption: Contents:
+
+   citation
+   bibliography
diff --git a/docs/source/conf.py b/docs/source/conf.py
index 8de8f8d9d..b6bd108b6 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -35,8 +35,12 @@
   'sphinx_copybutton',
   'sphinx_design',
   'sphinx_tabs.tabs',
+  'sphinxcontrib.bibtex',
 ]
 
+bibtex_bibfiles = ['references.bib']
+suppress_warnings = ["bibtex.missing_field"]
+
 breathe_default_project = "micm"
 
 # Add any paths that contain templates here, relative to this directory.
diff --git a/docs/source/getting_started.rst b/docs/source/getting_started.rst
index 695731edd..5f323e52e 100644
--- a/docs/source/getting_started.rst
+++ b/docs/source/getting_started.rst
@@ -1,12 +1,12 @@
-
+###############
 Getting Started
-===============
+###############
 
 Build and Test
---------------
+==============
 
 CPU
-~~~
+---
 To build and install MICM locally, you must have the following libraries installed:
 
 - [sphinx](https://github.com/sphinx-doc/sphinx)
@@ -31,7 +31,7 @@ CMake will allow for setting options such as the installation directory
 with CMAKE_INSTALL_PREFIX, or various build flags such as BUILD_DOCS, ENABLE_CUDA, etc.
 
 Docker Container
-~~~~~~~~~~~~~~~~
+----------------
 
 Build and run the image::
 
@@ -41,19 +41,20 @@ Build and run the image::
 If you would like, you can ssh into a running docker container and edit the files there.
 
 GPU
-~~~
+---
 
 NCAR Hardware
--------------
+^^^^^^^^^^^^^
 
 On Cheyenne
-~~~~~~~~~~~
+^^^^^^^^^^^
 
 On Casper
-~~~~~~~~~
+^^^^^^^^^
 
 On Gust and Derecho
-~~~~~~~~~~~~~~~~~~~
+^^^^^^^^^^^^^^^^^^^
+
 To compile and test on gust::
 
     $ qinteractive -A NTDD0005 --ngpus=1
@@ -64,7 +65,7 @@ To compile and test on gust::
     $ make test
 
 NOAA Hardware
--------------
+^^^^^^^^^^^^^
 
 Run an Example
 --------------
diff --git a/docs/source/index.rst b/docs/source/index.rst
index 8b7c691f9..363ca9a50 100644
--- a/docs/source/index.rst
+++ b/docs/source/index.rst
@@ -52,7 +52,7 @@ Welcome to MICM's documentation!
    user_guide/index
    api/index
    contributing/index
-   citation
+   citing_and_bibliography/index
 
 Indices and tables
 ==================
diff --git a/docs/source/references.bib b/docs/source/references.bib
new file mode 100644
index 000000000..dfb3776ed
--- /dev/null
+++ b/docs/source/references.bib
@@ -0,0 +1,154 @@
+@article{daescuDirectAdjointSensitivity2003,
+  title = {Direct and Adjoint Sensitivity Analysis of Chemical Kinetic Systems with {{KPP}}: {{II}}\textemdash Numerical Validation and Applications},
+  shorttitle = {Direct and Adjoint Sensitivity Analysis of Chemical Kinetic Systems with {{KPP}}},
+  author = {Daescu, Dacian N. and Sandu, Adrian and Carmichael, Gregory R.},
+  year = {2003},
+  month = nov,
+  journal = {Atmospheric Environment},
+  volume = {37},
+  number = {36},
+  pages = {5097--5114},
+  issn = {1352-2310},
+  doi = {10.1016/j.atmosenv.2003.08.020},
+  urldate = {2023-02-15},
+  abstract = {The Kinetic PreProcessor KPP was extended to generate the building blocks needed for the direct and adjoint sensitivity analysis of chemical kinetic systems. An overview of the theoretical aspects of sensitivity calculations and a discussion of the KPP software tools is presented in the companion paper. In this work the correctness and efficiency of the KPP generated code for direct and adjoint sensitivity studies are analyzed through an extensive set of numerical experiments. Direct-decoupled Rosenbrock methods are shown to be cost-effective for providing sensitivities at low and medium accuracies. A validation of the discrete\textendash adjoint evaluated gradients is performed against the finite difference estimates. The accuracy of the adjoint gradients is measured using a reference gradient value obtained with a standard direct-decoupled method. The accuracy is studied for both constant step size and variable step size integration of the forward/adjoint model and the consistency between the discrete and continuous adjoint models is analyzed. Applications of the KPP-1.2 software package to direct and adjoint sensitivity studies, variational data assimilation, and parameter identification are considered for the comprehensive chemical mechanism SAPRC-99.},
+  langid = {english},
+  keywords = {Data assimilation,Optimization,Parameter identification,Sensitivity analysis},
+  file = {/Users/kshores/Zotero/storage/UC6A2K82/S1352231003006733.html}
+}
+
+@article{damianKineticPreprocessorKPPa2002,
+  title = {The Kinetic Preprocessor {{KPP-a}} Software Environment for Solving Chemical Kinetics},
+  author = {Damian, Valeriu and Sandu, Adrian and Damian, Mirela and Potra, Florian and Carmichael, Gregory R.},
+  year = {2002},
+  month = nov,
+  journal = {Computers \& Chemical Engineering},
+  volume = {26},
+  number = {11},
+  pages = {1567--1579},
+  issn = {0098-1354},
+  doi = {10.1016/S0098-1354(02)00128-X},
+  urldate = {2023-02-15},
+  abstract = {The kinetic preprocessor (KPP) is a software tool that assists the computer simulation of chemical kinetic systems. The concentrations of a chemical system evolve in time according to the differential law of mass action kinetics. A computer simulation requires the implementation of the differential system and its numerical integration in time. KPP translates a specification of the chemical mechanism into fortran or c simulation code that implement the concentration time derivative function and its Jacobian, together with a suitable numerical integration scheme. Sparsity in Jacobian is carefully exploited in order to obtain computational efficiency. KPP incorporates a library with several widely used atmospheric chemistry mechanisms and users can add their own chemical mechanisms to the library. KPP also includes a comprehensive suite of stiff numerical integrators. The KPP development environment is designed in a modular fashion and allows for rapid prototyping of new chemical kinetic schemes as well as new numerical integration methods.},
+  langid = {english},
+  keywords = {Automatic code generation,Chemical kinetics,Numerical integration,Sparsity},
+  file = {/Users/kshores/Zotero/storage/2VJ5XQH2/Damian et al. - 2002 - The kinetic preprocessor KPP-a software environmen.pdf;/Users/kshores/Zotero/storage/YQSFJ5YJ/S009813540200128X.html}
+}
+
+@book{hairerSolvingOrdinaryDifferential1996a,
+  title = {Solving {{Ordinary Differential Equations II}}: {{Stiff}} and {{Differential-Algebraic Problems}}},
+  shorttitle = {Solving {{Ordinary Differential Equations II}}},
+  author = {Hairer, Ernst and Wanner, Gerhard},
+  year = {1996},
+  month = sep,
+  edition = {2nd edition},
+  publisher = {{Springer}},
+  address = {{Berlin ; New York}},
+  abstract = {The subject of this book is the solution of stiff differential equations and of differential-algebraic systems. This second edition contains new material including new numerical tests, recent progress in numerical differential-algebraic equations, and improved FORTRAN codes.From the reviews:"A superb book...Throughout, illuminating graphics, sketches and quotes from papers of researchers in the field add an element of easy informality and motivate the text." --MATHEMATICS TODAY},
+  isbn = {978-3-540-60452-5},
+  langid = {english},
+  file = {/Users/kshores/Zotero/storage/GC4V85EX/Solving Ordinary Differential Equations II.pdf}
+}
+
+@book{hairerSolvingOrdinaryDifferential2009,
+  title = {Solving {{Ordinary Differential Equations I}}: {{Nonstiff Problems}}},
+  shorttitle = {Solving {{Ordinary Differential Equations I}}},
+  author = {Hairer, Ernst and N{\o}rsett, Syvert P. and Wanner, Gerhard},
+  year = {2009},
+  month = dec,
+  edition = {2nd ed. 1993. Corr. 3rd printing 2009 edition},
+  publisher = {{Springer}},
+  address = {{Heidelberg ; London}},
+  abstract = {This book deals with methods for solving nonstiff ordinary differential equations. The first chapter describes the historical development of the classical theory, and the second chapter includes a modern treatment of Runge-Kutta and extrapolation methods. Chapter three begins with the classical theory of multistep methods, and concludes with the theory of general linear methods. The reader will benefit from many illustrations, a historical and didactic approach, and computer programs which help him/her learn to solve all kinds of ordinary differential equations. This new edition has been rewritten and new material has been included.},
+  isbn = {978-3-642-05163-0},
+  langid = {english},
+  file = {/Users/kshores/Zotero/storage/2AJ3I6HJ/1993 - Solving Ordinary Differential Equations I.pdf}
+}
+
+@article{rosenbrockGeneralImplicitProcesses1963,
+  title = {Some General Implicit Processes for the Numerical Solution of Differential Equations},
+  author = {Rosenbrock, H. H.},
+  year = {1963},
+  month = jan,
+  journal = {The Computer Journal},
+  volume = {5},
+  number = {4},
+  pages = {329--330},
+  issn = {0010-4620},
+  doi = {10.1093/comjnl/5.4.329},
+  urldate = {2023-02-15},
+  abstract = {Some general implicit processes are given for the solution of simultaneous first-order differential equations. These processes, which use successive substitution, are implicit analogues of the (explicit) Runge-Kutta processes. They require the solution in each time step of one or more set of simultaneous linear equations, usually of a special and simple form.Processes of any required order can be devised, and they can be made to have a wide margin of stability when applied to a linear problem.},
+  file = {/Users/kshores/Zotero/storage/4NW8TWI5/Rosenbrock - 1963 - Some general implicit processes for the numerical .pdf;/Users/kshores/Zotero/storage/865XYEWP/316388.html}
+}
+
+@article{sanduBenchmarkingStiffOde1997,
+  title = {Benchmarking Stiff Ode Solvers for Atmospheric Chemistry Problems {{II}}: {{Rosenbrock}} Solvers},
+  shorttitle = {Benchmarking Stiff Ode Solvers for Atmospheric Chemistry Problems {{II}}},
+  author = {Sandu, A. and Verwer, J. G. and Blom, J. G. and Spee, E. J. and Carmichael, G. R. and Potra, F. A.},
+  year = {1997},
+  month = oct,
+  journal = {Atmospheric Environment},
+  volume = {31},
+  number = {20},
+  pages = {3459--3472},
+  issn = {1352-2310},
+  doi = {10.1016/S1352-2310(97)83212-8},
+  urldate = {2023-02-15},
+  abstract = {In the numerical simulation of atmospheric transport-chemistry processes, a major task is the integration of the stiff systems of ordinary differential equations describing the chemical transformations. It is therefore of interest to systematically search for stiff solvers which can be identified as close to optimal for atmospheric applications. In this paper we continue our investigation from Sandu et al. (1996, CWI Report NM-R9603 and Report in Comput. Math., No. 85) and compare eight solvers on a set of seven box-models used in present day models. The focus is on Rosenbrock solvers. These turn out to be very well suited for our application when they are provided with highly efficient sparse matrix techniques to economize on the linear algebra. Two of the Rosenbrock solvers tested are from the literature, viz. rodas and Ros4, and two are new and specially developed for air quality applications, viz. rodas3 and ros3.},
+  langid = {english},
+  file = {/Users/kshores/Zotero/storage/5JMBVP79/Sandu et al. - 1997 - Benchmarking stiff ode solvers for atmospheric che.pdf;/Users/kshores/Zotero/storage/39YHBE2Z/S1352231097832128.html}
+}
+
+@article{sanduBenchmarkingStiffOde1997a,
+  title = {Benchmarking Stiff Ode Solvers for Atmospheric Chemistry Problems-{{I}}. Implicit vs Explicit},
+  author = {Sandu, A. and Verwer, J. G. and Van Loon, M. and Carmichael, G. R. and Potra, F. A. and Dabdub, D. and Seinfeld, J. H.},
+  year = {1997},
+  month = oct,
+  journal = {Atmospheric Environment},
+  series = {{{EUMAC}}: {{European Modelling}} of {{Atmospheric Constituents}}},
+  volume = {31},
+  number = {19},
+  pages = {3151--3166},
+  issn = {1352-2310},
+  doi = {10.1016/S1352-2310(97)00059-9},
+  urldate = {2023-02-15},
+  abstract = {In many applications of atmospheric transport-chemistry problems, a major task is the numerical integration of the stiff systems of ordinary differential equations describing the chemical transformations. This paper presents a comprehensive numerical comparison between five dedicated explicit and four implicit solvers for a set of seven benchmark problems from actual applications. The implicit solvers use sparse matrix techniques to economize on the numerical linear algebra overhead. As a result they are often more efficient than the dedicated explicit ones, particularly when approximately two or more figures of accuracy are required. In most test cases, sparse RODAs, a Rosenbrock solver, came out as most competitive in the 1\% error region. Of the dedicated explicit solvers, TWOSTEP came out as best. When less than 1\% accuracy is aimed at, this solver performs very efficiently for tropospheric gas-phase problems. However, like all other dedicated explicit solvers, it cannot efficiently deal with gas-liquid phase chemistry. The results presented may constitute a guide for atmospheric modelers to select a suitable integrator based on the type and dimension of their chemical mechanism and on the desired level of accuracy. Furthermore, we would like to consider this paper an open invitation for other groups to add new representative test problems to those described here and to benchmark their numerical algorithms in our standard computational environment.},
+  langid = {english},
+  file = {/Users/kshores/Zotero/storage/9SETTXQS/Sandu et al. - 1997 - Benchmarking stiff ode solvers for atmospheric che.pdf;/Users/kshores/Zotero/storage/3IF3VR72/S1352231097000599.html}
+}
+
+@article{sanduDirectAdjointSensitivity2003,
+  title = {Direct and Adjoint Sensitivity Analysis of Chemical Kinetic Systems with {{KPP}}: {{Part I}}\textemdash Theory and Software Tools},
+  shorttitle = {Direct and Adjoint Sensitivity Analysis of Chemical Kinetic Systems with {{KPP}}},
+  author = {Sandu, Adrian and Daescu, Dacian N. and Carmichael, Gregory R.},
+  year = {2003},
+  month = nov,
+  journal = {Atmospheric Environment},
+  volume = {37},
+  number = {36},
+  pages = {5083--5096},
+  issn = {1352-2310},
+  doi = {10.1016/j.atmosenv.2003.08.019},
+  urldate = {2023-02-15},
+  abstract = {The analysis of comprehensive chemical reactions mechanisms, parameter estimation techniques, and variational chemical data assimilation applications require the development of efficient sensitivity methods for chemical kinetics systems. The new release (KPP-1.2) of the kinetic preprocessor (KPP) contains software tools that facilitate direct and adjoint sensitivity analysis. The direct-decoupled method, built using BDF formulas, has been the method of choice for direct sensitivity studies. In this work, we extend the direct-decoupled approach to Rosenbrock stiff integration methods. The need for Jacobian derivatives prevented Rosenbrock methods to be used extensively in direct sensitivity calculations; however, the new automatic and symbolic differentiation technologies make the computation of these derivatives feasible. The direct-decoupled method is known to be efficient for computing the sensitivities of a large number of output parameters with respect to a small number of input parameters. The adjoint modeling is presented as an efficient tool to evaluate the sensitivity of a scalar response function with respect to the initial conditions and model parameters. In addition, sensitivity with respect to time-dependent model parameters may be obtained through a single backward integration of the adjoint model. KPP software may be used to completely generate the continuous and discrete adjoint models taking full advantage of the sparsity of the chemical mechanism. Flexible direct-decoupled and adjoint sensitivity code implementations are achieved with minimal user intervention. In a companion paper, we present an extensive set of numerical experiments that validate the KPP software tools for several direct/adjoint sensitivity applications, and demonstrate the efficiency of KPP-generated sensitivity code implementations.},
+  langid = {english},
+  keywords = {Adjoint model,Chemical kinetics,Direct-decoupled method,Sensitivity analysis},
+  file = {/Users/kshores/Zotero/storage/Q2BN8Z5E/Sandu et al. - 2003 - Direct and adjoint sensitivity analysis of chemica.pdf;/Users/kshores/Zotero/storage/B26KZ24Z/S1352231003006721.html}
+}
+
+@article{sanduEfficientImplementationFully1996,
+  title = {Efficient {{Implementation}} of {{Fully Implicit Methods}} for {{Atmospheric Chemical Kinetics}}},
+  author = {Sandu, A. and Potra, F. A. and Carmichael, G. R. and Damian, V.},
+  year = {1996},
+  month = nov,
+  journal = {Journal of Computational Physics},
+  volume = {129},
+  number = {1},
+  pages = {101--110},
+  issn = {0021-9991},
+  doi = {10.1006/jcph.1996.0236},
+  urldate = {2023-02-15},
+  abstract = {Implicit integrators are very useful in efficiently solving stiff systems of ODEs arising from atmospheric chemistry kinetics, provided that they are modified to take full advantage of the structure of the problem. A systematic way of treating sparsity for reducing the linear algebra cost is presented.},
+  langid = {english},
+  file = {/Users/kshores/Zotero/storage/XFN28QLI/Sandu et al. - 1996 - Efficient Implementation of Fully Implicit Methods.pdf;/Users/kshores/Zotero/storage/43WPJN5Y/S0021999196902363.html}
+}
diff --git a/docs/source/user_guide/solver_configurations.rst b/docs/source/user_guide/solver_configurations.rst
index 917cfd7f6..224205a0a 100644
--- a/docs/source/user_guide/solver_configurations.rst
+++ b/docs/source/user_guide/solver_configurations.rst
@@ -26,6 +26,9 @@ the appropriate tab below and be on your way! Otherwise, stick around for a line
 Line-by-line explanation
 ------------------------
 
+There are a total of six different configurations for the Rosenbrock solver. Each corresponds to a different number of stages.
+What each configuration means is beyond the scope of this tutorial. However, more information can be found in .
+
 .. literalinclude:: ../../../test/tutorial/test_solver_configuration.cpp
   :language: cpp
   :lines: 88-96

From 971bd67f4554fc01928ac5fc76548cb0f6abae23 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Mon, 2 Oct 2023 16:52:15 -0500
Subject: [PATCH 060/318] chaning reference identifiers

---
 docs/source/citing_and_bibliography/index.rst  |  3 ++-
 docs/source/references.bib                     | 18 +++++++++---------
 .../user_guide/solver_configurations.rst       |  2 ++
 3 files changed, 13 insertions(+), 10 deletions(-)

diff --git a/docs/source/citing_and_bibliography/index.rst b/docs/source/citing_and_bibliography/index.rst
index a8b5c7a57..ac5d3a951 100644
--- a/docs/source/citing_and_bibliography/index.rst
+++ b/docs/source/citing_and_bibliography/index.rst
@@ -1,6 +1,7 @@
 
+##########################
 Citations and Bibliography
-==========================
+##########################
 
 .. toctree::
    :maxdepth: 1
diff --git a/docs/source/references.bib b/docs/source/references.bib
index dfb3776ed..5e848eb60 100644
--- a/docs/source/references.bib
+++ b/docs/source/references.bib
@@ -1,4 +1,4 @@
-@article{daescuDirectAdjointSensitivity2003,
+@article{Daescu2003,
   title = {Direct and Adjoint Sensitivity Analysis of Chemical Kinetic Systems with {{KPP}}: {{II}}\textemdash Numerical Validation and Applications},
   shorttitle = {Direct and Adjoint Sensitivity Analysis of Chemical Kinetic Systems with {{KPP}}},
   author = {Daescu, Dacian N. and Sandu, Adrian and Carmichael, Gregory R.},
@@ -17,7 +17,7 @@ @article{daescuDirectAdjointSensitivity2003
   file = {/Users/kshores/Zotero/storage/UC6A2K82/S1352231003006733.html}
 }
 
-@article{damianKineticPreprocessorKPPa2002,
+@article{Damian2002,
   title = {The Kinetic Preprocessor {{KPP-a}} Software Environment for Solving Chemical Kinetics},
   author = {Damian, Valeriu and Sandu, Adrian and Damian, Mirela and Potra, Florian and Carmichael, Gregory R.},
   year = {2002},
@@ -35,7 +35,7 @@ @article{damianKineticPreprocessorKPPa2002
   file = {/Users/kshores/Zotero/storage/2VJ5XQH2/Damian et al. - 2002 - The kinetic preprocessor KPP-a software environmen.pdf;/Users/kshores/Zotero/storage/YQSFJ5YJ/S009813540200128X.html}
 }
 
-@book{hairerSolvingOrdinaryDifferential1996a,
+@book{Hairer1996,
   title = {Solving {{Ordinary Differential Equations II}}: {{Stiff}} and {{Differential-Algebraic Problems}}},
   shorttitle = {Solving {{Ordinary Differential Equations II}}},
   author = {Hairer, Ernst and Wanner, Gerhard},
@@ -50,7 +50,7 @@ @book{hairerSolvingOrdinaryDifferential1996a
   file = {/Users/kshores/Zotero/storage/GC4V85EX/Solving Ordinary Differential Equations II.pdf}
 }
 
-@book{hairerSolvingOrdinaryDifferential2009,
+@book{Hairer2009,
   title = {Solving {{Ordinary Differential Equations I}}: {{Nonstiff Problems}}},
   shorttitle = {Solving {{Ordinary Differential Equations I}}},
   author = {Hairer, Ernst and N{\o}rsett, Syvert P. and Wanner, Gerhard},
@@ -65,7 +65,7 @@ @book{hairerSolvingOrdinaryDifferential2009
   file = {/Users/kshores/Zotero/storage/2AJ3I6HJ/1993 - Solving Ordinary Differential Equations I.pdf}
 }
 
-@article{rosenbrockGeneralImplicitProcesses1963,
+@article{Rosenbrock1963,
   title = {Some General Implicit Processes for the Numerical Solution of Differential Equations},
   author = {Rosenbrock, H. H.},
   year = {1963},
@@ -81,7 +81,7 @@ @article{rosenbrockGeneralImplicitProcesses1963
   file = {/Users/kshores/Zotero/storage/4NW8TWI5/Rosenbrock - 1963 - Some general implicit processes for the numerical .pdf;/Users/kshores/Zotero/storage/865XYEWP/316388.html}
 }
 
-@article{sanduBenchmarkingStiffOde1997,
+@article{SanduStiff2-1997,
   title = {Benchmarking Stiff Ode Solvers for Atmospheric Chemistry Problems {{II}}: {{Rosenbrock}} Solvers},
   shorttitle = {Benchmarking Stiff Ode Solvers for Atmospheric Chemistry Problems {{II}}},
   author = {Sandu, A. and Verwer, J. G. and Blom, J. G. and Spee, E. J. and Carmichael, G. R. and Potra, F. A.},
@@ -99,7 +99,7 @@ @article{sanduBenchmarkingStiffOde1997
   file = {/Users/kshores/Zotero/storage/5JMBVP79/Sandu et al. - 1997 - Benchmarking stiff ode solvers for atmospheric che.pdf;/Users/kshores/Zotero/storage/39YHBE2Z/S1352231097832128.html}
 }
 
-@article{sanduBenchmarkingStiffOde1997a,
+@article{SanduStiff1-1997,
   title = {Benchmarking Stiff Ode Solvers for Atmospheric Chemistry Problems-{{I}}. Implicit vs Explicit},
   author = {Sandu, A. and Verwer, J. G. and Van Loon, M. and Carmichael, G. R. and Potra, F. A. and Dabdub, D. and Seinfeld, J. H.},
   year = {1997},
@@ -117,7 +117,7 @@ @article{sanduBenchmarkingStiffOde1997a
   file = {/Users/kshores/Zotero/storage/9SETTXQS/Sandu et al. - 1997 - Benchmarking stiff ode solvers for atmospheric che.pdf;/Users/kshores/Zotero/storage/3IF3VR72/S1352231097000599.html}
 }
 
-@article{sanduDirectAdjointSensitivity2003,
+@article{Sandu2003,
   title = {Direct and Adjoint Sensitivity Analysis of Chemical Kinetic Systems with {{KPP}}: {{Part I}}\textemdash Theory and Software Tools},
   shorttitle = {Direct and Adjoint Sensitivity Analysis of Chemical Kinetic Systems with {{KPP}}},
   author = {Sandu, Adrian and Daescu, Dacian N. and Carmichael, Gregory R.},
@@ -136,7 +136,7 @@ @article{sanduDirectAdjointSensitivity2003
   file = {/Users/kshores/Zotero/storage/Q2BN8Z5E/Sandu et al. - 2003 - Direct and adjoint sensitivity analysis of chemica.pdf;/Users/kshores/Zotero/storage/B26KZ24Z/S1352231003006721.html}
 }
 
-@article{sanduEfficientImplementationFully1996,
+@article{Sandu1996,
   title = {Efficient {{Implementation}} of {{Fully Implicit Methods}} for {{Atmospheric Chemical Kinetics}}},
   author = {Sandu, A. and Potra, F. A. and Carmichael, G. R. and Damian, V.},
   year = {1996},
diff --git a/docs/source/user_guide/solver_configurations.rst b/docs/source/user_guide/solver_configurations.rst
index 224205a0a..d35c7e449 100644
--- a/docs/source/user_guide/solver_configurations.rst
+++ b/docs/source/user_guide/solver_configurations.rst
@@ -29,6 +29,8 @@ Line-by-line explanation
 There are a total of six different configurations for the Rosenbrock solver. Each corresponds to a different number of stages.
 What each configuration means is beyond the scope of this tutorial. However, more information can be found in .
 
+:cite:`Sandu1996`
+
 .. literalinclude:: ../../../test/tutorial/test_solver_configuration.cpp
   :language: cpp
   :lines: 88-96

From a4b424adb53c51c93cd5a2a2a4db37d9a050d6f4 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Mon, 2 Oct 2023 15:24:58 -0700
Subject: [PATCH 061/318] add JitRosenbrockSolver p-force regression tests

---
 .../RosenbrockChapman/CMakeLists.txt          |   1 +
 .../regression_test_jit_p_force.cpp           |  25 +++
 .../regression_test_p_force.cpp               | 176 ++++++------------
 .../regression_test_p_force_policy.hpp        | 106 +++++++++++
 4 files changed, 193 insertions(+), 115 deletions(-)
 create mode 100644 test/regression/RosenbrockChapman/regression_test_jit_p_force.cpp
 create mode 100644 test/regression/RosenbrockChapman/regression_test_p_force_policy.hpp

diff --git a/test/regression/RosenbrockChapman/CMakeLists.txt b/test/regression/RosenbrockChapman/CMakeLists.txt
index cdef173cd..90a3da090 100644
--- a/test/regression/RosenbrockChapman/CMakeLists.txt
+++ b/test/regression/RosenbrockChapman/CMakeLists.txt
@@ -11,5 +11,6 @@ create_standard_test(NAME regression_test_rosenbrock_dforce_dy SOURCES regressio
 create_standard_test(NAME regression_test_solve SOURCES regression_test_solve.cpp)
 
 if(ENABLE_LLVM)
+  create_standard_test(NAME regression_test_jit_p_force SOURCES regression_test_jit_p_force.cpp)
   create_standard_test(NAME regression_test_jit_dforce_dy SOURCES regression_test_jit_dforce_dy.cpp)
 endif()
\ No newline at end of file
diff --git a/test/regression/RosenbrockChapman/regression_test_jit_p_force.cpp b/test/regression/RosenbrockChapman/regression_test_jit_p_force.cpp
new file mode 100644
index 000000000..c0c6aada4
--- /dev/null
+++ b/test/regression/RosenbrockChapman/regression_test_jit_p_force.cpp
@@ -0,0 +1,25 @@
+#include <gtest/gtest.h>
+
+#include <micm/solver/jit_linear_solver.hpp>
+#include <micm/solver/jit_rosenbrock.hpp>
+
+#include "jit_util.hpp"
+#include "regression_test_p_force_policy.hpp"
+
+TEST(RegressionJitRosenbrock, VectorRateConstants)
+{
+  auto solver = getThreeStageMultiCellJitChapmanSolver<
+      Group3VectorMatrix,
+      Group3SparseVectorMatrix,
+      micm::JitLinearSolver<3, Group3SparseVectorMatrix>>(3);
+  testRateConstants<>(solver);
+}
+
+TEST(RegressionJitRosenbrock, VectorForcing)
+{
+  auto solver = getThreeStageMultiCellJitChapmanSolver<
+      Group3VectorMatrix,
+      Group3SparseVectorMatrix,
+      micm::JitLinearSolver<3, Group3SparseVectorMatrix>>(3);
+  testForcing<Group3VectorMatrix>(solver);
+}
\ No newline at end of file
diff --git a/test/regression/RosenbrockChapman/regression_test_p_force.cpp b/test/regression/RosenbrockChapman/regression_test_p_force.cpp
index 08a0122ce..d69f4165e 100644
--- a/test/regression/RosenbrockChapman/regression_test_p_force.cpp
+++ b/test/regression/RosenbrockChapman/regression_test_p_force.cpp
@@ -1,135 +1,81 @@
 #include <gtest/gtest.h>
 
 #include <micm/solver/rosenbrock.hpp>
-#include <micm/util/matrix.hpp>
-#include <micm/util/sparse_matrix.hpp>
-#include <micm/util/sparse_matrix_vector_ordering.hpp>
-#include <micm/util/vector_matrix.hpp>
-#include <random>
 
-#include "chapman_ode_solver.hpp"
-#include "util.hpp"
-
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-void testRateConstants()
-{
-  micm::ChapmanODESolver fixed_solver{};
-  auto solver = getThreeStageMultiCellChapmanSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(3);
-
-  auto state = solver.GetState();
-  auto fixed_state = fixed_solver.GetState();
-  const std::vector<std::vector<double>> photo_rates{ { 1.0e-4, 1.0e-5, 1.0e-6 },
-                                                      { 3.2e-4, 7.3e-5, 3.2e-6 },
-                                                      { 5.2e-4, 8.2e-5, 4.6e-6 } };
-  state.custom_rate_parameters_ = photo_rates;
-  state.conditions_[0].temperature_ = 284.19;  // [K]
-  state.conditions_[0].pressure_ = 101245.0;   // [Pa]
-  state.conditions_[1].temperature_ = 215.02;  // [K]
-  state.conditions_[1].pressure_ = 100789.2;   // [Pa]
-  state.conditions_[2].temperature_ = 299.31;  // [K]
-  state.conditions_[2].pressure_ = 101398.0;   // [Pa]
-
-  solver.UpdateState(state);
-
-  for (size_t i{}; i < 3; ++i)
-  {
-    fixed_state.conditions_[0].temperature_ = state.conditions_[i].temperature_;
-    fixed_state.conditions_[0].pressure_ = state.conditions_[i].pressure_;
-    fixed_state.custom_rate_parameters_[0] = photo_rates[i];
-    fixed_solver.UpdateState(fixed_state);
-
-    EXPECT_EQ(state.rate_constants_[i].size(), fixed_state.rate_constants_[0].size());
-    for (size_t j{}; j < state.rate_constants_[i].size(); ++j)
-    {
-      EXPECT_EQ(state.rate_constants_[i][j], fixed_state.rate_constants_[0][j]);
-    }
-  }
-}
-
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-void testForcing()
-{
-  std::random_device rnd_device;
-  std::mt19937 engine{ rnd_device() };
-  std::lognormal_distribution dist(-2.0, 2.0);
-
-  micm::ChapmanODESolver fixed_solver{};
-  auto solver = getThreeStageMultiCellChapmanSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(3);
-
-  auto state = solver.GetState();
-
-  auto& state_vec = state.variables_.AsVector();
-  std::generate(begin(state_vec), end(state_vec), [&]() { return dist(engine); });
-  auto& rate_const_vec = state.rate_constants_.AsVector();
-  std::generate(begin(rate_const_vec), end(rate_const_vec), [&]() { return dist(engine); });
-
-  MatrixPolicy<double> forcing(3, 9);
-  solver.CalculateForcing(state.rate_constants_, state.variables_, forcing);
-
-  for (std::size_t i{}; i < 3; ++i)
-  {
-    double number_density_air = 1.0;
-    std::vector<double> rate_constants = state.rate_constants_[i];
-    std::vector<double> variables(state.variables_[i].size());
-    for (std::size_t j{}; j < state.variables_[i].size(); ++j)
-      variables[j] = state.variables_[i][state.variable_map_[fixed_solver.species_names()[j]]];
-    std::vector<double> fixed_forcing = fixed_solver.force(rate_constants, variables, number_density_air);
-
-    EXPECT_EQ(forcing[i].size(), fixed_forcing.size());
-    for (std::size_t j{}; j < fixed_forcing.size(); ++j)
-    {
-      double a = forcing[i][state.variable_map_[fixed_solver.species_names()[j]]];
-      double b = fixed_forcing[j];
-      EXPECT_NEAR(a, b, (std::abs(a) + std::abs(b)) * 1.0e-8 + 1.0e-12);
-    }
-  }
-}
-
-template<class T>
-using DenseMatrix = micm::Matrix<T>;
-template<class T>
-using SparseMatrix = micm::SparseMatrix<T>;
-
-template<class T>
-using Group1VectorMatrix = micm::VectorMatrix<T, 1>;
-template<class T>
-using Group2VectorMatrix = micm::VectorMatrix<T, 2>;
-template<class T>
-using Group3VectorMatrix = micm::VectorMatrix<T, 3>;
-template<class T>
-using Group4VectorMatrix = micm::VectorMatrix<T, 4>;
-
-template<class T>
-using Group1SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<1>>;
-template<class T>
-using Group2SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<2>>;
-template<class T>
-using Group3SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<3>>;
-template<class T>
-using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<4>>;
+#include "regression_test_p_force_policy.hpp"
 
 TEST(RegressionRosenbrock, RateConstants)
 {
-  testRateConstants<DenseMatrix, SparseMatrix, micm::LinearSolver<double, SparseMatrix>>();
+  auto solver = getThreeStageMultiCellChapmanSolver<DenseMatrix, SparseMatrix, micm::LinearSolver<double, SparseMatrix>>(3);
+  testRateConstants<>(solver);
 }
 
 TEST(RegressionRosenbrock, VectorRateConstants)
 {
-  testRateConstants<Group1VectorMatrix, Group1SparseVectorMatrix, micm::LinearSolver<double, Group1SparseVectorMatrix>>();
-  testRateConstants<Group2VectorMatrix, Group2SparseVectorMatrix, micm::LinearSolver<double, Group2SparseVectorMatrix>>();
-  testRateConstants<Group3VectorMatrix, Group3SparseVectorMatrix, micm::LinearSolver<double, Group3SparseVectorMatrix>>();
-  testRateConstants<Group4VectorMatrix, Group4SparseVectorMatrix, micm::LinearSolver<double, Group4SparseVectorMatrix>>();
+  {
+    auto solver = getThreeStageMultiCellChapmanSolver<
+        Group1VectorMatrix,
+        Group1SparseVectorMatrix,
+        micm::LinearSolver<double, Group1SparseVectorMatrix>>(3);
+    testRateConstants<>(solver);
+  }
+  {
+    auto solver = getThreeStageMultiCellChapmanSolver<
+        Group2VectorMatrix,
+        Group2SparseVectorMatrix,
+        micm::LinearSolver<double, Group2SparseVectorMatrix>>(3);
+    testRateConstants<>(solver);
+  }
+  {
+    auto solver = getThreeStageMultiCellChapmanSolver<
+        Group3VectorMatrix,
+        Group3SparseVectorMatrix,
+        micm::LinearSolver<double, Group3SparseVectorMatrix>>(3);
+    testRateConstants<>(solver);
+  }
+  {
+    auto solver = getThreeStageMultiCellChapmanSolver<
+        Group4VectorMatrix,
+        Group4SparseVectorMatrix,
+        micm::LinearSolver<double, Group4SparseVectorMatrix>>(3);
+    testRateConstants<>(solver);
+  }
 }
 
 TEST(RegressionRosenbrock, Forcing)
 {
-  testForcing<DenseMatrix, SparseMatrix, micm::LinearSolver<double, SparseMatrix>>();
+  auto solver = getThreeStageMultiCellChapmanSolver<DenseMatrix, SparseMatrix, micm::LinearSolver<double, SparseMatrix>>(3);
+  testForcing<DenseMatrix>(solver);
 }
 
 TEST(RegressionRosenbrock, VectorForcing)
 {
-  testForcing<Group1VectorMatrix, Group1SparseVectorMatrix, micm::LinearSolver<double, Group1SparseVectorMatrix>>();
-  testForcing<Group2VectorMatrix, Group2SparseVectorMatrix, micm::LinearSolver<double, Group2SparseVectorMatrix>>();
-  testForcing<Group3VectorMatrix, Group3SparseVectorMatrix, micm::LinearSolver<double, Group3SparseVectorMatrix>>();
-  testForcing<Group4VectorMatrix, Group4SparseVectorMatrix, micm::LinearSolver<double, Group4SparseVectorMatrix>>();
+  {
+    auto solver = getThreeStageMultiCellChapmanSolver<
+        Group1VectorMatrix,
+        Group1SparseVectorMatrix,
+        micm::LinearSolver<double, Group1SparseVectorMatrix>>(3);
+    testForcing<Group1VectorMatrix>(solver);
+  }
+  {
+    auto solver = getThreeStageMultiCellChapmanSolver<
+        Group2VectorMatrix,
+        Group2SparseVectorMatrix,
+        micm::LinearSolver<double, Group2SparseVectorMatrix>>(3);
+    testForcing<Group2VectorMatrix>(solver);
+  }
+  {
+    auto solver = getThreeStageMultiCellChapmanSolver<
+        Group3VectorMatrix,
+        Group3SparseVectorMatrix,
+        micm::LinearSolver<double, Group3SparseVectorMatrix>>(3);
+    testForcing<Group3VectorMatrix>(solver);
+  }
+  {
+    auto solver = getThreeStageMultiCellChapmanSolver<
+        Group4VectorMatrix,
+        Group4SparseVectorMatrix,
+        micm::LinearSolver<double, Group4SparseVectorMatrix>>(3);
+    testForcing<Group4VectorMatrix>(solver);
+  }
 }
\ No newline at end of file
diff --git a/test/regression/RosenbrockChapman/regression_test_p_force_policy.hpp b/test/regression/RosenbrockChapman/regression_test_p_force_policy.hpp
new file mode 100644
index 000000000..b8910be2a
--- /dev/null
+++ b/test/regression/RosenbrockChapman/regression_test_p_force_policy.hpp
@@ -0,0 +1,106 @@
+#pragma once
+
+#include <micm/util/matrix.hpp>
+#include <micm/util/sparse_matrix.hpp>
+#include <micm/util/sparse_matrix_vector_ordering.hpp>
+#include <micm/util/vector_matrix.hpp>
+#include <random>
+
+#include "chapman_ode_solver.hpp"
+#include "util.hpp"
+
+template<class OdeSolverPolicy>
+void testRateConstants(OdeSolverPolicy& solver)
+{
+  micm::ChapmanODESolver fixed_solver{};
+
+  auto state = solver.GetState();
+  auto fixed_state = fixed_solver.GetState();
+  const std::vector<std::vector<double>> photo_rates{ { 1.0e-4, 1.0e-5, 1.0e-6 },
+                                                      { 3.2e-4, 7.3e-5, 3.2e-6 },
+                                                      { 5.2e-4, 8.2e-5, 4.6e-6 } };
+  state.custom_rate_parameters_ = photo_rates;
+  state.conditions_[0].temperature_ = 284.19;  // [K]
+  state.conditions_[0].pressure_ = 101245.0;   // [Pa]
+  state.conditions_[1].temperature_ = 215.02;  // [K]
+  state.conditions_[1].pressure_ = 100789.2;   // [Pa]
+  state.conditions_[2].temperature_ = 299.31;  // [K]
+  state.conditions_[2].pressure_ = 101398.0;   // [Pa]
+
+  solver.UpdateState(state);
+
+  for (size_t i{}; i < 3; ++i)
+  {
+    fixed_state.conditions_[0].temperature_ = state.conditions_[i].temperature_;
+    fixed_state.conditions_[0].pressure_ = state.conditions_[i].pressure_;
+    fixed_state.custom_rate_parameters_[0] = photo_rates[i];
+    fixed_solver.UpdateState(fixed_state);
+
+    EXPECT_EQ(state.rate_constants_[i].size(), fixed_state.rate_constants_[0].size());
+    for (size_t j{}; j < state.rate_constants_[i].size(); ++j)
+    {
+      EXPECT_EQ(state.rate_constants_[i][j], fixed_state.rate_constants_[0][j]);
+    }
+  }
+}
+
+template<template<class> class MatrixPolicy, class OdeSolverPolicy>
+void testForcing(OdeSolverPolicy& solver)
+{
+  std::random_device rnd_device;
+  std::mt19937 engine{ rnd_device() };
+  std::lognormal_distribution dist(-2.0, 2.0);
+
+  micm::ChapmanODESolver fixed_solver{};
+
+  auto state = solver.GetState();
+
+  auto& state_vec = state.variables_.AsVector();
+  std::generate(begin(state_vec), end(state_vec), [&]() { return dist(engine); });
+  auto& rate_const_vec = state.rate_constants_.AsVector();
+  std::generate(begin(rate_const_vec), end(rate_const_vec), [&]() { return dist(engine); });
+
+  MatrixPolicy<double> forcing(3, 9);
+  solver.CalculateForcing(state.rate_constants_, state.variables_, forcing);
+
+  for (std::size_t i{}; i < 3; ++i)
+  {
+    double number_density_air = 1.0;
+    std::vector<double> rate_constants = state.rate_constants_[i];
+    std::vector<double> variables(state.variables_[i].size());
+    for (std::size_t j{}; j < state.variables_[i].size(); ++j)
+      variables[j] = state.variables_[i][state.variable_map_[fixed_solver.species_names()[j]]];
+    std::vector<double> fixed_forcing = fixed_solver.force(rate_constants, variables, number_density_air);
+
+    EXPECT_EQ(forcing[i].size(), fixed_forcing.size());
+    for (std::size_t j{}; j < fixed_forcing.size(); ++j)
+    {
+      double a = forcing[i][state.variable_map_[fixed_solver.species_names()[j]]];
+      double b = fixed_forcing[j];
+      EXPECT_NEAR(a, b, (std::abs(a) + std::abs(b)) * 1.0e-8 + 1.0e-12);
+    }
+  }
+}
+
+template<class T>
+using DenseMatrix = micm::Matrix<T>;
+template<class T>
+using SparseMatrix = micm::SparseMatrix<T>;
+
+template<class T>
+using Group1VectorMatrix = micm::VectorMatrix<T, 1>;
+template<class T>
+using Group2VectorMatrix = micm::VectorMatrix<T, 2>;
+template<class T>
+using Group3VectorMatrix = micm::VectorMatrix<T, 3>;
+template<class T>
+using Group4VectorMatrix = micm::VectorMatrix<T, 4>;
+
+template<class T>
+using Group1SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<1>>;
+template<class T>
+using Group2SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<2>>;
+template<class T>
+using Group3SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<3>>;
+template<class T>
+using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<4>>;

From 12f1eabb9728b3dfce1b9e2498198e7c8b7ce817 Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Mon, 2 Oct 2023 15:38:34 -0700
Subject: [PATCH 062/318] Auto-format code changes (#274)

Auto-format code using Clang-Format

Co-authored-by: GitHub Actions <actions@github.com>
---
 test/tutorial/test_multiple_grid_cells.cpp           | 12 ++++++------
 .../test_rate_constants_no_user_defined_by_hand.cpp  |  4 +---
 ...st_rate_constants_no_user_defined_with_config.cpp |  4 +---
 .../test_rate_constants_user_defined_by_hand.cpp     | 11 +++++------
 4 files changed, 13 insertions(+), 18 deletions(-)

diff --git a/test/tutorial/test_multiple_grid_cells.cpp b/test/tutorial/test_multiple_grid_cells.cpp
index 851e268dd..57b17c691 100644
--- a/test/tutorial/test_multiple_grid_cells.cpp
+++ b/test/tutorial/test_multiple_grid_cells.cpp
@@ -1,6 +1,5 @@
 #include <iomanip>
 #include <iostream>
-
 #include <micm/process/user_defined_rate_constant.hpp>
 #include <micm/solver/rosenbrock.hpp>
 
@@ -86,7 +85,7 @@ int main()
   State<Matrix> state = solver.GetState();
 
   // mol m-3
-  state.SetConcentration(a, std::vector<double>{1, 2, 0.5 });
+  state.SetConcentration(a, std::vector<double>{ 1, 2, 0.5 });
   state.SetConcentration(b, std::vector<double>(3, 0));
   state.SetConcentration(c, std::vector<double>(3, 0));
 
@@ -97,11 +96,12 @@ int main()
   state.SetCustomRateParameter("r2", std::vector<double>(3, k2));
   state.SetCustomRateParameter("r3", std::vector<double>(3, k3));
 
-  double temperature = 272.5; // [K]
-  double pressure = 101253.3; // [Pa]
-  double air_density = 1e6;   // [mol m-3]
+  double temperature = 272.5;  // [K]
+  double pressure = 101253.3;  // [Pa]
+  double air_density = 1e6;    // [mol m-3]
 
-  for(size_t cell = 0; cell < solver.parameters_.number_of_grid_cells_; ++cell) {
+  for (size_t cell = 0; cell < solver.parameters_.number_of_grid_cells_; ++cell)
+  {
     state.conditions_[cell].temperature_ = temperature;
     state.conditions_[cell].pressure_ = pressure;
     state.conditions_[cell].air_density_ = air_density;
diff --git a/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp b/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
index 510fb18a2..22aff99b3 100644
--- a/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
+++ b/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
@@ -129,9 +129,7 @@ int main(const int argc, const char* argv[])
   auto chemical_system = System(micm::SystemParameters{ .gas_phase_ = gas_phase });
   auto reactions = std::vector<micm::Process>{ r1, r2, r3, r4, r5, r6, r7 };
 
-  RosenbrockSolver<> solver{ chemical_system,
-                             reactions,
-                             RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+  RosenbrockSolver<> solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
   State state = solver.GetState();
 
   state.conditions_[0].temperature_ = 287.45;  // K
diff --git a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
index 0f11ab730..ca5cc06d9 100644
--- a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
+++ b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
@@ -62,9 +62,7 @@ int main(const int argc, const char* argv[])
   auto chemical_system = solver_params.system_;
   auto reactions = solver_params.processes_;
 
-  RosenbrockSolver<> solver{ chemical_system,
-                             reactions,
-                             RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+  RosenbrockSolver<> solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
 
   State state = solver.GetState();
 
diff --git a/test/tutorial/test_rate_constants_user_defined_by_hand.cpp b/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
index efd35adce..6938c20ee 100644
--- a/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
+++ b/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
@@ -136,18 +136,18 @@ int main(const int argc, const char* argv[])
   Process r8 = Process::create()
                    .reactants({ c })
                    .products({ yields(g, 1) })
-                   .rate_constant(UserDefinedRateConstant({.label_="my photolysis rate"}))
+                   .rate_constant(UserDefinedRateConstant({ .label_ = "my photolysis rate" }))
                    .phase(gas_phase);
 
   Process r9 = Process::create()
                    .products({ yields(a, 1) })
-                   .rate_constant(UserDefinedRateConstant({.label_="my emission rate"}))
+                   .rate_constant(UserDefinedRateConstant({ .label_ = "my emission rate" }))
                    .phase(gas_phase);
 
   Process r10 = Process::create()
-                   .reactants({ b })
-                   .rate_constant(UserDefinedRateConstant({.label_="my loss rate"}))
-                   .phase(gas_phase);
+                    .reactants({ b })
+                    .rate_constant(UserDefinedRateConstant({ .label_ = "my loss rate" }))
+                    .phase(gas_phase);
 
   auto chemical_system = System(micm::SystemParameters{ .gas_phase_ = gas_phase });
   auto reactions = std::vector<micm::Process>{ r1, r2, r3, r4, r5, r6, r7, r8, r9, r10 };
@@ -171,7 +171,6 @@ int main(const int argc, const char* argv[])
   state.SetCustomRateParameter("C.effective radius [m]", 1e-7);
   state.SetCustomRateParameter("C.particle number concentration [# m-3]", 2.5e6);
 
-
   // choose and timestep a print the initial state
   double time_step = 500;  // s
 

From 7df8bd4a8f987d296846b03635121d4fe8dd189e Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 3 Oct 2023 11:00:05 -0500
Subject: [PATCH 063/318] added citation

---
 .../citing_and_bibliography/citation.rst      |  33 +++-
 .../user_guide/rate_constant_tutorial.rst     |  40 ++---
 .../user_guide/solver_configurations.rst      | 146 ++++++++++++++++++
 .../user_defined_rate_constant_tutorial.rst   |  40 ++---
 4 files changed, 208 insertions(+), 51 deletions(-)

diff --git a/docs/source/citing_and_bibliography/citation.rst b/docs/source/citing_and_bibliography/citation.rst
index af5bf186f..dd44e7aeb 100644
--- a/docs/source/citing_and_bibliography/citation.rst
+++ b/docs/source/citing_and_bibliography/citation.rst
@@ -1,3 +1,34 @@
 
 Citing MICM
-===========
\ No newline at end of file
+===========
+
+MICM is a group scientific and software effort. 
+
+Cite the science
+-----------------
+
+Cite the software
+-----------------
+
+The software can be cited like this
+
+@software{ncar.acom.micm,
+  author       = {Kyle Shores and
+                  Qina Tan and
+                  Matt Dawson and
+                  cacraigucar and
+                  Jiwon Gim and
+                  David Fillmore and
+                  Francis Vitt and
+                  Andrew Conley and
+                  actions-user and
+                  davidfillmore and
+                  Aharon Karsenti},
+  title        = {NCAR/micm: v3.2.0},
+  month        = sep,
+  year         = 2023,
+  publisher    = {Zenodo},
+  version      = {v3.2.0},
+  doi          = {10.5281/zenodo.8377912},
+  url          = {https://doi.org/10.5281/zenodo.8377912}
+}
\ No newline at end of file
diff --git a/docs/source/user_guide/rate_constant_tutorial.rst b/docs/source/user_guide/rate_constant_tutorial.rst
index f3857e8b9..4c788321f 100644
--- a/docs/source/user_guide/rate_constant_tutorial.rst
+++ b/docs/source/user_guide/rate_constant_tutorial.rst
@@ -158,28 +158,18 @@ Finally, we are ready to pick a timestep and solve the system.
 This is the output:
 
 
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| time  |      A      |      B      |      C      |      D      |      E      |      F      |      G      |
-+=======+=============+=============+=============+=============+=============+=============+=============+
-|   0   |   1.00e+00  |   0.00e+00  |   0.00e+00  |   0.00e+00  |   0.00e+00  |   0.00e+00  |   0.00e+00  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-|  500  |   3.18e-09  |   3.66e-09  |   9.83e-01  |   3.88e-14  |   1.41e-03  |   2.02e-13  |   7.92e-03  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 1000  |   1.14e-14  |   1.31e-14  |   9.66e-01  |   1.39e-19  |   1.40e-03  |   7.24e-19  |   1.64e-02  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 1500  |   4.09e-20  |   4.71e-20  |   9.49e-01  |   4.98e-25  |   1.39e-03  |   2.59e-24  |   2.48e-02  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 2000  |   1.47e-25  |   1.69e-25  |   9.33e-01  |   1.79e-30  |   1.38e-03  |   9.30e-30  |   3.30e-02  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 2500  |   5.26e-31  |   6.05e-31  |   9.17e-01  |   6.40e-36  |   1.37e-03  |   3.33e-35  |   4.11e-02  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 3000  |   1.89e-36  |   2.17e-36  |   9.01e-01  |   2.30e-41  |   1.36e-03  |   1.20e-40  |   4.90e-02  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 3500  |   6.77e-42  |   7.78e-42  |   8.85e-01  |   8.23e-47  |   1.34e-03  |   4.29e-46  |   5.68e-02  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 4000  |   2.43e-47  |   2.79e-47  |   8.70e-01  |   2.95e-52  |   1.33e-03  |   1.54e-51  |   6.44e-02  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 4500  |   8.70e-53  |   1.00e-52  |   8.55e-01  |   1.06e-57  |   1.32e-03  |   5.51e-57  |   7.20e-02  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 5000  |   3.12e-58  |   3.59e-58  |   8.40e-01  |   3.80e-63  |   1.31e-03  |   1.98e-62  |   7.94e-02  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
\ No newline at end of file
+.. csv-table:: Table Title
+   :header: "time", "A", "B", "C", "D", "E", "F", "G"
+   :widths: 10, 15, 15, 15, 15, 15, 15, 15
+
+   "0", "1.00e+00", "0.00e+00", "0.00e+00", "0.00e+00", "0.00e+00", "0.00e+00", "0.00e+00"
+   "500", "3.18e-09", "3.66e-09", "9.83e-01", "3.88e-14", "1.41e-03", "2.02e-13", "7.92e-03"
+   "1000", "1.14e-14", "1.31e-14", "9.66e-01", "1.39e-19", "1.40e-03", "7.24e-19", "1.64e-02"
+   "1500", "4.09e-20", "4.71e-20", "9.49e-01", "4.98e-25", "1.39e-03", "2.59e-24", "2.48e-02"
+   "2000", "1.47e-25", "1.69e-25", "9.33e-01", "1.79e-30", "1.38e-03", "9.30e-30", "3.30e-02"
+   "2500", "5.26e-31", "6.05e-31", "9.17e-01", "6.40e-36", "1.37e-03", "3.33e-35", "4.11e-02"
+   "3000", "1.89e-36", "2.17e-36", "9.01e-01", "2.30e-41", "1.36e-03", "1.20e-40", "4.90e-02"
+   "3500", "6.77e-42", "7.78e-42", "8.85e-01", "8.23e-47", "1.34e-03", "4.29e-46", "5.68e-02"
+   "4000", "2.43e-47", "2.79e-47", "8.70e-01", "2.95e-52", "1.33e-03", "1.54e-51", "6.44e-02"
+   "4500", "8.70e-53", "1.00e-52", "8.55e-01", "1.06e-57", "1.32e-03", "5.51e-57", "7.20e-02"
+   "5000", "3.12e-58", "3.59e-58", "8.40e-01", "3.80e-63", "1.31e-03", "1.98e-62", "7.94e-02"
diff --git a/docs/source/user_guide/solver_configurations.rst b/docs/source/user_guide/solver_configurations.rst
index d35c7e449..71fdbb840 100644
--- a/docs/source/user_guide/solver_configurations.rst
+++ b/docs/source/user_guide/solver_configurations.rst
@@ -34,3 +34,149 @@ What each configuration means is beyond the scope of this tutorial. However, mor
 .. literalinclude:: ../../../test/tutorial/test_solver_configuration.cpp
   :language: cpp
   :lines: 88-96
+
+
+You should see an output similar to this:
+
+.. code-block:: console
+
+  Two stages: 
+  time,         A,         B,         C
+      0,  1.00e+00,  0.00e+00,  0.00e+00
+    200,  5.37e-01,  4.50e-06,  4.63e-01
+    400,  4.51e-01,  3.23e-06,  5.49e-01
+    600,  4.01e-01,  2.64e-06,  5.99e-01
+    800,  3.65e-01,  2.28e-06,  6.35e-01
+  1000,  3.38e-01,  2.02e-06,  6.62e-01
+  1200,  3.16e-01,  1.83e-06,  6.84e-01
+  1400,  2.97e-01,  1.68e-06,  7.03e-01
+  1600,  2.82e-01,  1.56e-06,  7.18e-01
+  1800,  2.68e-01,  1.46e-06,  7.32e-01
+  2000,  2.56e-01,  1.37e-06,  7.44e-01
+  Total solve time: 135748 nanoseconds
+  accepted: 178
+  function_calls: 356
+  jacobian_updates: 178
+  number_of_steps: 178
+  accepted: 178
+  rejected: 0
+  decompositions: 178
+  solves: 356
+  singular: 0
+  total_forcing_time: 9962 nanoseconds
+  total_jacobian_time: 6454 nanoseconds
+  total_linear_factor_time: 26835 nanoseconds
+  total_linear_solve_time: 12044 nanoseconds
+
+  Three stages: 
+  time,         A,         B,         C
+      0,  1.00e+00,  0.00e+00,  0.00e+00
+    200,  5.35e-01,  4.50e-06,  4.65e-01
+    400,  4.50e-01,  3.23e-06,  5.50e-01
+    600,  4.00e-01,  2.63e-06,  6.00e-01
+    800,  3.64e-01,  2.27e-06,  6.36e-01
+  1000,  3.37e-01,  2.01e-06,  6.63e-01
+  1200,  3.15e-01,  1.82e-06,  6.85e-01
+  1400,  2.96e-01,  1.67e-06,  7.04e-01
+  1600,  2.81e-01,  1.55e-06,  7.19e-01
+  1800,  2.67e-01,  1.45e-06,  7.33e-01
+  2000,  2.55e-01,  1.37e-06,  7.45e-01
+  Total solve time: 110002 nanoseconds
+  accepted: 127
+  function_calls: 254
+  jacobian_updates: 127
+  number_of_steps: 127
+  accepted: 127
+  rejected: 0
+  decompositions: 127
+  solves: 381
+  singular: 0
+  total_forcing_time: 7421 nanoseconds
+  total_jacobian_time: 4295 nanoseconds
+  total_linear_factor_time: 19248 nanoseconds
+  total_linear_solve_time: 12093 nanoseconds
+
+  Four stages: 
+  time,         A,         B,         C
+      0,  1.00e+00,  0.00e+00,  0.00e+00
+    200,  5.36e-01,  4.49e-06,  4.64e-01
+    400,  4.50e-01,  3.20e-06,  5.50e-01
+    600,  4.00e-01,  2.62e-06,  6.00e-01
+    800,  3.64e-01,  2.26e-06,  6.36e-01
+  1000,  3.37e-01,  2.01e-06,  6.63e-01
+  1200,  3.15e-01,  1.82e-06,  6.85e-01
+  1400,  2.97e-01,  1.67e-06,  7.03e-01
+  1600,  2.81e-01,  1.55e-06,  7.19e-01
+  1800,  2.67e-01,  1.45e-06,  7.33e-01
+  2000,  2.56e-01,  1.37e-06,  7.44e-01
+  Total solve time: 127291 nanoseconds
+  accepted: 127
+  function_calls: 381
+  jacobian_updates: 127
+  number_of_steps: 127
+  accepted: 127
+  rejected: 0
+  decompositions: 127
+  solves: 508
+  singular: 0
+  total_forcing_time: 9749 nanoseconds
+  total_jacobian_time: 4537 nanoseconds
+  total_linear_factor_time: 20040 nanoseconds
+  total_linear_solve_time: 17923 nanoseconds
+
+  Four stages differential algebraic: 
+  time,         A,         B,         C
+      0,  1.00e+00,  0.00e+00,  0.00e+00
+    200,  5.36e-01,  4.49e-06,  4.64e-01
+    400,  4.51e-01,  3.23e-06,  5.49e-01
+    600,  4.00e-01,  2.63e-06,  6.00e-01
+    800,  3.64e-01,  2.27e-06,  6.36e-01
+  1000,  3.37e-01,  2.01e-06,  6.63e-01
+  1200,  3.15e-01,  1.82e-06,  6.85e-01
+  1400,  2.97e-01,  1.68e-06,  7.03e-01
+  1600,  2.81e-01,  1.55e-06,  7.19e-01
+  1800,  2.68e-01,  1.45e-06,  7.32e-01
+  2000,  2.56e-01,  1.37e-06,  7.44e-01
+  Total solve time: 126334 nanoseconds
+  accepted: 128
+  function_calls: 384
+  jacobian_updates: 128
+  number_of_steps: 128
+  accepted: 128
+  rejected: 0
+  decompositions: 128
+  solves: 512
+  singular: 0
+  total_forcing_time: 10584 nanoseconds
+  total_jacobian_time: 4376 nanoseconds
+  total_linear_factor_time: 19792 nanoseconds
+  total_linear_solve_time: 17254 nanoseconds
+
+
+  Six stages differential algebraic: 
+    time,         A,         B,         C
+        0,  1.00e+00,  0.00e+00,  0.00e+00
+      200,  5.36e-01,  4.49e-06,  4.64e-01
+      400,  4.51e-01,  3.22e-06,  5.49e-01
+      600,  4.00e-01,  2.63e-06,  6.00e-01
+      800,  3.64e-01,  2.27e-06,  6.36e-01
+    1000,  3.37e-01,  2.01e-06,  6.63e-01
+    1200,  3.15e-01,  1.82e-06,  6.85e-01
+    1400,  2.97e-01,  1.67e-06,  7.03e-01
+    1600,  2.81e-01,  1.55e-06,  7.19e-01
+    1800,  2.67e-01,  1.45e-06,  7.33e-01
+    2000,  2.56e-01,  1.37e-06,  7.44e-01
+  Total solve time: 174959 nanoseconds
+  accepted: 127
+  function_calls: 762
+  jacobian_updates: 127
+  number_of_steps: 127
+  accepted: 127
+  rejected: 0
+  decompositions: 127
+  solves: 762
+  singular: 0
+  total_forcing_time: 20743 nanoseconds
+  total_jacobian_time: 4497 nanoseconds
+  total_linear_factor_time: 20085 nanoseconds
+  total_linear_solve_time: 28233 nanoseconds
\ No newline at end of file
diff --git a/docs/source/user_guide/user_defined_rate_constant_tutorial.rst b/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
index 4688893c8..f6b577da6 100644
--- a/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
+++ b/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
@@ -211,29 +211,19 @@ Finally, set and upate the rate constants as needed:
 And this is final output. Notice that the concentration of G ends up much higher than in 
 the :ref:`Rate constants` tutorial's result.
 
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-|  time |      A      |      B      |      C      |      D      |      E      |      F      |      G      |
-+=======+=============+=============+=============+=============+=============+=============+=============+
-|   0   |   1.00e+00  |   0.00e+00  |   0.00e+00  |   0.00e+00  |   0.00e+00  |   0.00e+00  |   0.00e+00  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-|  500  |   3.18e-09  |   3.66e-09  |   9.83e-01  |   3.88e-14  |   1.41e-03  |   2.02e-13  |   7.92e-03  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 1000  |   1.14e-14  |   1.31e-14  |   9.66e-01  |   1.39e-19  |   1.40e-03  |   7.24e-19  |   1.64e-02  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 1500  |   7.27e-20  |   6.40e-20  |   9.49e-01  |   6.53e-25  |   1.39e-03  |   3.19e-24  |   2.48e-02  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 2000  |   3.17e-20  |   1.70e-20  |   9.33e-01  |   1.55e-25  |   1.38e-03  |   5.92e-25  |   3.30e-02  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 2500  |   3.17e-20  |   1.70e-20  |   9.17e-01  |   1.55e-25  |   1.37e-03  |   5.92e-25  |   4.11e-02  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 3000  |   3.17e-20  |   1.70e-20  |   9.01e-01  |   1.55e-25  |   1.36e-03  |   5.92e-25  |   4.90e-02  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 3500  |   3.17e-20  |   1.70e-20  |   8.85e-01  |   1.55e-25  |   1.34e-03  |   5.92e-25  |   5.68e-02  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 4000  |   3.17e-20  |   1.70e-20  |   8.70e-01  |   1.55e-25  |   1.33e-03  |   5.92e-25  |   6.44e-02  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 4500  |   3.17e-20  |   1.70e-20  |   8.55e-01  |   1.55e-25  |   1.32e-03  |   5.92e-25  |   7.20e-02  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
-| 5000  |   3.17e-20  |   1.70e-20  |   8.40e-01  |   1.55e-25  |   1.31e-03  |   5.92e-25  |   7.94e-02  |
-+-------+-------------+-------------+-------------+-------------+-------------+-------------+-------------+
+.. csv-table:: Table Title
+   :header: "time", "A", "B", "C", "D", "E", "F", "G"
+   :widths: 10, 15, 15, 15, 15, 15, 15, 15
+
+   "0", "1.00e+00", "0.00e+00", "0.00e+00", "0.00e+00", "0.00e+00", "0.00e+00", "0.00e+00"
+   "500", "3.18e-09", "3.66e-09", "9.83e-01", "3.88e-14", "1.41e-03", "2.02e-13", "7.92e-03"
+   "1000", "1.14e-14", "1.31e-14", "9.66e-01", "1.39e-19", "1.40e-03", "7.24e-19", "1.64e-02"
+   "1500", "7.27e-20", "6.40e-20", "9.49e-01", "6.53e-25", "1.39e-03", "3.19e-24", "2.48e-02"
+   "2000", "3.17e-20", "1.70e-20", "9.33e-01", "1.55e-25", "1.38e-03", "5.92e-25", "3.30e-02"
+   "2500", "3.17e-20", "1.70e-20", "9.17e-01", "1.55e-25", "1.37e-03", "5.92e-25", "4.11e-02"
+   "3000", "3.17e-20", "1.70e-20", "9.01e-01", "1.55e-25", "1.36e-03", "5.92e-25", "4.90e-02"
+   "3500", "3.17e-20", "1.70e-20", "8.85e-01", "1.55e-25", "1.34e-03", "5.92e-25", "5.68e-02"
+   "4000", "3.17e-20", "1.70e-20", "8.70e-01", "1.55e-25", "1.33e-03", "5.92e-25", "6.44e-02"
+   "4500", "3.17e-20", "1.70e-20", "8.55e-01", "1.55e-25", "1.32e-03", "5.92e-25", "7.20e-02"
+   "5000", "3.17e-20", "1.70e-20", "8.40e-01", "1.55e-25", "1.31e-03", "5.92e-25", "7.94e-02"
 

From 1a1533b99f7916915492bd1926270116fff391fd Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 3 Oct 2023 11:50:46 -0500
Subject: [PATCH 064/318] Update README.md (#275)

Added zenodo badge
---
 README.md | 1 +
 1 file changed, 1 insertion(+)

diff --git a/README.md b/README.md
index da2482149..97ab0d751 100644
--- a/README.md
+++ b/README.md
@@ -6,6 +6,7 @@ Model Independent Chemical Module. MICM can be used to configure and solve atmos
 [![License](https://img.shields.io/github/license/NCAR/micm.svg)](https://github.com/NCAR/micm/blob/master/LICENSE)
 [![CI Status](https://github.com/NCAR/micm/actions/workflows/test.yml/badge.svg)](https://github.com/NCAR/micm/actions/workflows/test.yml)
 [![codecov](https://codecov.io/gh/NCAR/micm/branch/main/graph/badge.svg?token=ATGO4DKTMY)](https://codecov.io/gh/NCAR/micm)
+[![DOI](https://zenodo.org/badge/294492778.svg)](https://zenodo.org/badge/latestdoi/294492778)
 
 Copyright (C) 2018-2023 National Center for Atmospheric Research
 

From 970fde07e3b1704ac85f7b22c14856c94748810b Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 3 Oct 2023 14:43:16 -0500
Subject: [PATCH 065/318] added tutorial for different solver types

---
 .../citing_and_bibliography/citation.rst      | 42 ++++++++++---------
 .../user_guide/solver_configurations.rst      | 28 ++++++++++---
 2 files changed, 45 insertions(+), 25 deletions(-)

diff --git a/docs/source/citing_and_bibliography/citation.rst b/docs/source/citing_and_bibliography/citation.rst
index dd44e7aeb..ec308a233 100644
--- a/docs/source/citing_and_bibliography/citation.rst
+++ b/docs/source/citing_and_bibliography/citation.rst
@@ -12,23 +12,25 @@ Cite the software
 
 The software can be cited like this
 
-@software{ncar.acom.micm,
-  author       = {Kyle Shores and
-                  Qina Tan and
-                  Matt Dawson and
-                  cacraigucar and
-                  Jiwon Gim and
-                  David Fillmore and
-                  Francis Vitt and
-                  Andrew Conley and
-                  actions-user and
-                  davidfillmore and
-                  Aharon Karsenti},
-  title        = {NCAR/micm: v3.2.0},
-  month        = sep,
-  year         = 2023,
-  publisher    = {Zenodo},
-  version      = {v3.2.0},
-  doi          = {10.5281/zenodo.8377912},
-  url          = {https://doi.org/10.5281/zenodo.8377912}
-}
\ No newline at end of file
+.. code-block:: console
+
+  @software{ncar.acom.micm,
+    author       = {Kyle Shores and
+                    Qina Tan and
+                    Matt Dawson and
+                    cacraigucar and
+                    Jiwon Gim and
+                    David Fillmore and
+                    Francis Vitt and
+                    Andrew Conley and
+                    actions-user and
+                    davidfillmore and
+                    Aharon Karsenti},
+    title        = {NCAR/micm: v3.2.0},
+    month        = sep,
+    year         = 2023,
+    publisher    = {Zenodo},
+    version      = {v3.2.0},
+    doi          = {10.5281/zenodo.8377912},
+    url          = {https://doi.org/10.5281/zenodo.8377912}
+  }
\ No newline at end of file
diff --git a/docs/source/user_guide/solver_configurations.rst b/docs/source/user_guide/solver_configurations.rst
index 71fdbb840..47bd81905 100644
--- a/docs/source/user_guide/solver_configurations.rst
+++ b/docs/source/user_guide/solver_configurations.rst
@@ -26,17 +26,35 @@ the appropriate tab below and be on your way! Otherwise, stick around for a line
 Line-by-line explanation
 ------------------------
 
-There are a total of six different configurations for the Rosenbrock solver. Each corresponds to a different number of stages.
-What each configuration means is beyond the scope of this tutorial. However, more information can be found in .
+There are a total of five different configurations for the Rosenbrock solver. Each corresponds to a different number of stages.
+What each configuration means is beyond the scope of this tutorial. However, references are included for further reading.
 
-:cite:`Sandu1996`
+- Two stage
+    - An L-stable method, 2 stages, order 2. :cite:`Hairer1996`
+- Three stage
+    - An L-stable method, 3 stages, order 3. :cite:`SanduStiff2-1997`
+- Four stage
+    - An L-stable method, 4 stages, order 4. :cite:`Hairer1996`
+- Four stage, differential algebraic
+    - A stiffly stable method, 4 stages, order 3, :cite:`Hairer1996`
+- Six stage, differential algebraic
+    - Stiffly stable rosenbrock method of order 4 with 6 stages, :cite:`Hairer1996`
+
+
+Configuring the rosenbrock solver is as easy as providing the solver with a set of :cpp:class:`micm::RosenbrockSolverParameters`
 
 .. literalinclude:: ../../../test/tutorial/test_solver_configuration.cpp
   :language: cpp
-  :lines: 88-96
+  :lines: 154-172
+
+After that, the usage is the same as a regular solver. A templated method was used here to run the same solving code
+for each of the different solver configurations.
 
+.. literalinclude:: ../../../test/tutorial/test_solver_configuration.cpp
+  :language: cpp
+  :lines: 40-123
 
-You should see an output similar to this:
+Running this program should give an output similar to this:
 
 .. code-block:: console
 

From a16eea1e43a7a4f44192869bfc1f3a455cd3c45c Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Tue, 3 Oct 2023 15:04:52 -0700
Subject: [PATCH 066/318] add JitRosenbrock solve regression test

---
 include/micm/process/jit_process_set.hpp      |  31 +++++
 include/micm/solver/jit_linear_solver.hpp     |   5 +
 include/micm/solver/jit_linear_solver.inl     |  23 +++-
 include/micm/solver/jit_lu_decomposition.hpp  |   5 +
 include/micm/solver/jit_lu_decomposition.inl  |  21 ++++
 include/micm/solver/jit_rosenbrock.hpp        |  20 ++++
 include/micm/solver/rosenbrock.inl            |   2 +-
 .../RosenbrockChapman/CMakeLists.txt          |   1 +
 .../regression_test_jit_solve.cpp             |  52 +++++++++
 .../regression_test_solve.cpp                 | 107 +++---------------
 .../regression_test_solve_policy.hpp          |  87 ++++++++++++++
 11 files changed, 262 insertions(+), 92 deletions(-)
 create mode 100644 test/regression/RosenbrockChapman/regression_test_jit_solve.cpp
 create mode 100644 test/regression/RosenbrockChapman/regression_test_solve_policy.hpp

diff --git a/include/micm/process/jit_process_set.hpp b/include/micm/process/jit_process_set.hpp
index 9f59d2886..d2c0e9eed 100644
--- a/include/micm/process/jit_process_set.hpp
+++ b/include/micm/process/jit_process_set.hpp
@@ -24,6 +24,11 @@ namespace micm
     void (*jacobian_function_)(const double *, const double *, double *);
 
    public:
+    JitProcessSet(const JitProcessSet &) = delete;
+    JitProcessSet &operator=(const JitProcessSet &) = delete;
+    JitProcessSet(JitProcessSet &&);
+    JitProcessSet &operator=(JitProcessSet &&);
+
     /// @brief Create a JITed process set calculator for a given set of processes
     /// @param compiler JIT compiler
     /// @param processes Processes to create calculator for
@@ -70,6 +75,32 @@ namespace micm
     void GenerateJacobianFunction(const SparseMatrix<double, SparseMatrixVectorOrdering<L>> &matrix);
   };
 
+  template<std::size_t L>
+  inline JitProcessSet<L>::JitProcessSet(JitProcessSet &&other)
+      : ProcessSet(std::move(other)),
+        compiler_(std::move(other.compiler_)),
+        forcing_function_resource_tracker_(std::move(other.forcing_function_resource_tracker_)),
+        forcing_function_(std::move(other.forcing_function_)),
+        jacobian_function_resource_tracker_(std::move(other.jacobian_function_resource_tracker_)),
+        jacobian_function_(std::move(other.jacobian_function_))
+  {
+    other.forcing_function_ = NULL;
+    other.jacobian_function_ = NULL;
+  }
+
+  template<std::size_t L>
+  inline JitProcessSet<L> &JitProcessSet<L>::operator=(JitProcessSet &&other)
+  {
+    ProcessSet::operator=(std::move(other));
+    compiler_ = std::move(other.compiler_);
+    forcing_function_resource_tracker_ = std::move(other.forcing_function_resource_tracker_);
+    forcing_function_ = std::move(other.forcing_function_);
+    jacobian_function_resource_tracker_ = std::move(other.jacobian_function_resource_tracker_);
+    jacobian_function_ = std::move(other.jacobian_function_);
+    other.forcing_function_ = NULL;
+    other.jacobian_function_ = NULL;
+  }
+
   template<std::size_t L>
   template<template<class> class MatrixPolicy>
   inline JitProcessSet<L>::JitProcessSet(
diff --git a/include/micm/solver/jit_linear_solver.hpp b/include/micm/solver/jit_linear_solver.hpp
index a2e35b28d..1c087422f 100644
--- a/include/micm/solver/jit_linear_solver.hpp
+++ b/include/micm/solver/jit_linear_solver.hpp
@@ -27,6 +27,11 @@ namespace micm
    public:
     JitLinearSolver(){};
 
+    JitLinearSolver(const JitLinearSolver&) = delete;
+    JitLinearSolver& operator=(const JitLinearSolver&) = delete;
+    JitLinearSolver(JitLinearSolver&&);
+    JitLinearSolver& operator=(JitLinearSolver&&);
+
     /// @brief Create a JITed linear solver for a given sparse matrix structure
     /// @param compiler JIT compiler
     /// @param matrix Block-diagonal sparse matrix to create solver for
diff --git a/include/micm/solver/jit_linear_solver.inl b/include/micm/solver/jit_linear_solver.inl
index f886a4f7a..69f1158e7 100644
--- a/include/micm/solver/jit_linear_solver.inl
+++ b/include/micm/solver/jit_linear_solver.inl
@@ -4,6 +4,27 @@
 namespace micm
 {
 
+  template<std::size_t L, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
+  inline JitLinearSolver<L, SparseMatrixPolicy, LuDecompositionPolicy>::JitLinearSolver(JitLinearSolver &&other)
+      : LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>(std::move(other)),
+        compiler_(std::move(other.compiler_)),
+        solve_function_resource_tracker_(std::move(other.solve_function_resource_tracker_)),
+        solve_function_(std::move(other.solve_function_))
+  {
+    other.solve_function_ = NULL;
+  }
+
+  template<std::size_t L, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
+  inline JitLinearSolver<L, SparseMatrixPolicy, LuDecompositionPolicy> &
+  JitLinearSolver<L, SparseMatrixPolicy, LuDecompositionPolicy>::operator=(JitLinearSolver &&other)
+  {
+    LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>::operator=(std::move(other));
+    compiler_ = std::move(other.compiler_);
+    solve_function_resource_tracker_ = std::move(other.solve_function_resource_tracker_);
+    solve_function_ = std::move(other.solve_function_);
+    other.solve_function_ = NULL;
+  }
+
   template<std::size_t L, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
   inline JitLinearSolver<L, SparseMatrixPolicy, LuDecompositionPolicy>::JitLinearSolver(
       std::shared_ptr<JitCompiler> compiler,
@@ -17,6 +38,7 @@ namespace micm
         compiler_(compiler)
   {
     solve_function_ = NULL;
+    GenerateSolveFunction();
   }
 
   template<std::size_t L, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
@@ -34,7 +56,6 @@ namespace micm
       SparseMatrix<double, SparseMatrixVectorOrdering<L>> &matrix)
   {
     LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>::Factor(matrix);
-    GenerateSolveFunction();
   }
 
   template<std::size_t L, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
diff --git a/include/micm/solver/jit_lu_decomposition.hpp b/include/micm/solver/jit_lu_decomposition.hpp
index a46f24814..61ed48194 100644
--- a/include/micm/solver/jit_lu_decomposition.hpp
+++ b/include/micm/solver/jit_lu_decomposition.hpp
@@ -25,6 +25,11 @@ namespace micm
    public:
     JitLuDecomposition(){};
 
+    JitLuDecomposition(const JitLuDecomposition &) = delete;
+    JitLuDecomposition &operator=(const JitLuDecomposition &) = delete;
+    JitLuDecomposition(JitLuDecomposition &&);
+    JitLuDecomposition &operator=(JitLuDecomposition &&);
+
     /// @brief Create a JITed LU decomposer for a given sparse matrix structure
     /// @param compiler JIT compiler
     /// @param matrix Sparse matrix to create LU decomposer for
diff --git a/include/micm/solver/jit_lu_decomposition.inl b/include/micm/solver/jit_lu_decomposition.inl
index 0284a9170..ed3eee038 100644
--- a/include/micm/solver/jit_lu_decomposition.inl
+++ b/include/micm/solver/jit_lu_decomposition.inl
@@ -3,6 +3,27 @@
 
 namespace micm
 {
+
+  template<std::size_t L>
+  inline JitLuDecomposition<L>::JitLuDecomposition(JitLuDecomposition &&other)
+      : LuDecomposition(std::move(other)),
+        compiler_(std::move(other.compiler_)),
+        decompose_function_resource_tracker_(std::move(other.decompose_function_resource_tracker_)),
+        decompose_function_(std::move(other.decompose_function_))
+  {
+    other.decompose_function_ = NULL;
+  }
+
+  template<std::size_t L>
+  inline JitLuDecomposition<L> &JitLuDecomposition<L>::operator=(JitLuDecomposition &&other)
+  {
+    LuDecomposition::operator=(std::move(other));
+    compiler_ = std::move(other.compiler_);
+    decompose_function_resource_tracker_ = std::move(other.decompose_function_resource_tracker_);
+    decompose_function_ = std::move(other.decompose_function_);
+    other.decompose_function_ = NULL;
+  }
+
   template<std::size_t L>
   inline JitLuDecomposition<L>::JitLuDecomposition(
       std::shared_ptr<JitCompiler> compiler,
diff --git a/include/micm/solver/jit_rosenbrock.hpp b/include/micm/solver/jit_rosenbrock.hpp
index 422be8ca7..68e554ab1 100644
--- a/include/micm/solver/jit_rosenbrock.hpp
+++ b/include/micm/solver/jit_rosenbrock.hpp
@@ -39,6 +39,26 @@ namespace micm
     FuncPtr alpha_minus_jacobian_ = nullptr;
 
    public:
+    JitRosenbrockSolver(const JitRosenbrockSolver&) = delete;
+    JitRosenbrockSolver& operator=(const JitRosenbrockSolver&) = delete;
+    JitRosenbrockSolver(JitRosenbrockSolver&& other)
+        : RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(std::move(other)),
+          compiler_(std::move(other.compiler_)),
+          function_resource_tracker_(std::move(other.function_resource_tracker_)),
+          alpha_minus_jacobian_(std::move(other.alpha_minus_jacobian_))
+    {
+      other.alpha_minus_jacobian_ = NULL;
+    }
+
+    JitRosenbrockSolver& operator=(JitRosenbrockSolver&& other)
+    {
+      RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::operator=(std::move(other));
+      compiler_ = std::move(other.compiler_);
+      function_resource_tracker_ = std::move(other.function_resource_tracker_);
+      alpha_minus_jacobian_ = std::move(other.alpha_minus_jacobian_);
+      other.alpha_minus_jacobian_ = NULL;
+    }
+
     /// @brief Builds a Rosenbrock solver for the given system, processes, and solver parameters
     /// @param system The chemical system to create the solver for
     /// @param processes The collection of chemical processes that will be applied during solving
diff --git a/include/micm/solver/rosenbrock.inl b/include/micm/solver/rosenbrock.inl
index 4a2d3a548..6cb022c19 100644
--- a/include/micm/solver/rosenbrock.inl
+++ b/include/micm/solver/rosenbrock.inl
@@ -467,7 +467,7 @@ namespace micm
       builder = builder.with_element(i, i);
 
     jacobian_ = builder;
-    linear_solver_ = create_linear_solver(jacobian_, 1.0e-30);
+    linear_solver_ = std::move(create_linear_solver(jacobian_, 1.0e-30));
     process_set_.SetJacobianFlatIds(jacobian_);
     for (std::size_t i = 0; i < jacobian_[0].size(); ++i)
       jacobian_diagonal_elements_.push_back(jacobian_.VectorIndex(0, i, i));
diff --git a/test/regression/RosenbrockChapman/CMakeLists.txt b/test/regression/RosenbrockChapman/CMakeLists.txt
index 90a3da090..c97ed3db3 100644
--- a/test/regression/RosenbrockChapman/CMakeLists.txt
+++ b/test/regression/RosenbrockChapman/CMakeLists.txt
@@ -13,4 +13,5 @@ create_standard_test(NAME regression_test_solve SOURCES regression_test_solve.cp
 if(ENABLE_LLVM)
   create_standard_test(NAME regression_test_jit_p_force SOURCES regression_test_jit_p_force.cpp)
   create_standard_test(NAME regression_test_jit_dforce_dy SOURCES regression_test_jit_dforce_dy.cpp)
+  create_standard_test(NAME regression_test_jit_solve SOURCES regression_test_jit_solve.cpp)
 endif()
\ No newline at end of file
diff --git a/test/regression/RosenbrockChapman/regression_test_jit_solve.cpp b/test/regression/RosenbrockChapman/regression_test_jit_solve.cpp
new file mode 100644
index 000000000..b8a488113
--- /dev/null
+++ b/test/regression/RosenbrockChapman/regression_test_jit_solve.cpp
@@ -0,0 +1,52 @@
+#include <gtest/gtest.h>
+
+#include <micm/solver/jit_linear_solver.hpp>
+#include <micm/solver/jit_rosenbrock.hpp>
+
+#include "jit_util.hpp"
+#include "regression_test_solve_policy.hpp"
+
+TEST(RegressionJitRosenbrock, TwoStageSolve)
+{
+  auto solver = getTwoStageMultiCellJitChapmanSolver<
+      Group3VectorMatrix,
+      Group3SparseVectorMatrix,
+      micm::JitLinearSolver<3, Group3SparseVectorMatrix>>(3);
+  testSolve<>(solver, 1.0e-2);
+}
+
+TEST(RegressionJitRosenbrock, ThreeStageSolve)
+{
+  auto solver = getThreeStageMultiCellJitChapmanSolver<
+      Group3VectorMatrix,
+      Group3SparseVectorMatrix,
+      micm::JitLinearSolver<3, Group3SparseVectorMatrix>>(3);
+  testSolve<>(solver, 1.0e-2);
+}
+
+TEST(RegressionJitRosenbrock, FourStageSolve)
+{
+  auto solver = getFourStageMultiCellJitChapmanSolver<
+      Group3VectorMatrix,
+      Group3SparseVectorMatrix,
+      micm::JitLinearSolver<3, Group3SparseVectorMatrix>>(3);
+  testSolve<>(solver, 1.0e-2);
+}
+
+TEST(RegressionJitRosenbrock, FourStageDASolve)
+{
+  auto solver = getFourStageDAMultiCellJitChapmanSolver<
+      Group3VectorMatrix,
+      Group3SparseVectorMatrix,
+      micm::JitLinearSolver<3, Group3SparseVectorMatrix>>(3);
+  testSolve<>(solver, 1.0e-2);
+}
+
+TEST(RegressionJitRosenbrock, SixStageDASolve)
+{
+  auto solver = getSixStageDAMultiCellJitChapmanSolver<
+      Group3VectorMatrix,
+      Group3SparseVectorMatrix,
+      micm::JitLinearSolver<3, Group3SparseVectorMatrix>>(3);
+  testSolve<>(solver, 1.0e-2);
+}
\ No newline at end of file
diff --git a/test/regression/RosenbrockChapman/regression_test_solve.cpp b/test/regression/RosenbrockChapman/regression_test_solve.cpp
index a98c6d1da..5d429eb63 100644
--- a/test/regression/RosenbrockChapman/regression_test_solve.cpp
+++ b/test/regression/RosenbrockChapman/regression_test_solve.cpp
@@ -1,93 +1,8 @@
 #include <gtest/gtest.h>
 
 #include <micm/solver/rosenbrock.hpp>
-#include <micm/util/matrix.hpp>
-#include <micm/util/sparse_matrix.hpp>
-#include <micm/util/sparse_matrix_vector_ordering.hpp>
-#include <micm/util/vector_matrix.hpp>
-#include <random>
 
-#include "chapman_ode_solver.hpp"
-#include "util.hpp"
-
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-void testSolve(micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> solver, double relative_tolerance = 1.0e-8)
-{
-  auto get_double = std::bind(std::lognormal_distribution(-2.0, 2.0), std::default_random_engine());
-  micm::ChapmanODESolver fixed_solver{};
-
-  auto state = solver.GetState();
-  auto fixed_state = fixed_solver.GetState();
-
-  // set conditions
-  const std::vector<std::vector<double>> photo_rates{ { 1.0e-4, 1.0e-5, 1.0e-6 },
-                                                      { 3.2e-4, 7.3e-5, 3.2e-6 },
-                                                      { 5.2e-4, 8.2e-5, 4.6e-6 } };
-  state.custom_rate_parameters_ = photo_rates;
-  state.conditions_[0].temperature_ = 284.19;  // [K]
-  state.conditions_[0].pressure_ = 101245.0;   // [Pa]
-  state.conditions_[1].temperature_ = 215.02;  // [K]
-  state.conditions_[1].pressure_ = 100789.2;   // [Pa]
-  state.conditions_[2].temperature_ = 299.31;  // [K]
-  state.conditions_[2].pressure_ = 101398.0;   // [Pa]
-  std::vector<std::vector<double>> variables(3, std::vector<double>(fixed_state.variables_[0].size(), 0.0));
-  double abs_tol = 0.0;
-  for (int i = 0; i < 3; ++i)
-    for (int j = 0; j < fixed_state.variables_[0].size(); ++j)
-    {
-      variables[i][j] = get_double();
-      abs_tol = std::max(abs_tol, variables[i][j]);
-    }
-  state.variables_ = variables;
-  abs_tol *= 1.0e-12;
-
-  // run solvers
-  auto results = solver.Solve(500.0, state);
-  micm::ChapmanODESolver::SolverResult fixed_results[3];
-  for (int i = 0; i < 3; ++i)
-  {
-    for (int j = 0; j < 3; ++j)
-      fixed_state.custom_rate_parameters_[0][j] = photo_rates[i][j];
-    fixed_state.conditions_[0].temperature_ = state.conditions_[i].temperature_;
-    fixed_state.conditions_[0].pressure_ = state.conditions_[i].pressure_;
-    for (int j = 0; j < fixed_state.variables_[0].size(); ++j)
-      fixed_state.variables_[0][j] = variables[i][state.variable_map_[fixed_solver.species_names()[j]]];
-    fixed_solver.UpdateState(fixed_state);
-    fixed_results[i] = fixed_solver.Solve(0.0, 500.0, fixed_state);
-  }
-
-  // compare results
-  for (int i = 0; i < 3; ++i)
-    for (int j = 0; j < fixed_results[i].result_.size(); ++j)
-    {
-      double a = results.result_[i][state.variable_map_[fixed_solver.species_names()[j]]];
-      double b = fixed_results[i].result_[j];
-      EXPECT_NEAR(a, b, (std::abs(a) + std::abs(b)) * relative_tolerance + abs_tol);
-    }
-}
-
-template<class T>
-using DenseMatrix = micm::Matrix<T>;
-template<class T>
-using SparseMatrix = micm::SparseMatrix<T>;
-
-template<class T>
-using Group1VectorMatrix = micm::VectorMatrix<T, 1>;
-template<class T>
-using Group2VectorMatrix = micm::VectorMatrix<T, 2>;
-template<class T>
-using Group3VectorMatrix = micm::VectorMatrix<T, 3>;
-template<class T>
-using Group4VectorMatrix = micm::VectorMatrix<T, 4>;
-
-template<class T>
-using Group1SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<1>>;
-template<class T>
-using Group2SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<2>>;
-template<class T>
-using Group3SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<3>>;
-template<class T>
-using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<4>>;
+#include "regression_test_solve_policy.hpp"
 
 TEST(RegressionRosenbrock, TwoStageSolve)
 {
@@ -121,15 +36,27 @@ TEST(RegressionRosenbrock, SixStageDASolve)
 
 TEST(RegressionRosenbrock, VectorSolve)
 {
-  auto solver1 = getThreeStageMultiCellChapmanSolver<Group1VectorMatrix, Group1SparseVectorMatrix, micm::LinearSolver<double, Group1SparseVectorMatrix>>(3);
+  auto solver1 = getThreeStageMultiCellChapmanSolver<
+      Group1VectorMatrix,
+      Group1SparseVectorMatrix,
+      micm::LinearSolver<double, Group1SparseVectorMatrix>>(3);
   testSolve(solver1);
 
-  auto solver2 = getThreeStageMultiCellChapmanSolver<Group2VectorMatrix, Group2SparseVectorMatrix, micm::LinearSolver<double, Group2SparseVectorMatrix>>(3);
+  auto solver2 = getThreeStageMultiCellChapmanSolver<
+      Group2VectorMatrix,
+      Group2SparseVectorMatrix,
+      micm::LinearSolver<double, Group2SparseVectorMatrix>>(3);
   testSolve(solver2);
 
-  auto solver3 = getThreeStageMultiCellChapmanSolver<Group3VectorMatrix, Group3SparseVectorMatrix, micm::LinearSolver<double, Group3SparseVectorMatrix>>(3);
+  auto solver3 = getThreeStageMultiCellChapmanSolver<
+      Group3VectorMatrix,
+      Group3SparseVectorMatrix,
+      micm::LinearSolver<double, Group3SparseVectorMatrix>>(3);
   testSolve(solver3);
 
-  auto solver4 = getThreeStageMultiCellChapmanSolver<Group4VectorMatrix, Group4SparseVectorMatrix, micm::LinearSolver<double, Group4SparseVectorMatrix>>(3);
+  auto solver4 = getThreeStageMultiCellChapmanSolver<
+      Group4VectorMatrix,
+      Group4SparseVectorMatrix,
+      micm::LinearSolver<double, Group4SparseVectorMatrix>>(3);
   testSolve(solver4);
 }
\ No newline at end of file
diff --git a/test/regression/RosenbrockChapman/regression_test_solve_policy.hpp b/test/regression/RosenbrockChapman/regression_test_solve_policy.hpp
new file mode 100644
index 000000000..2d1408176
--- /dev/null
+++ b/test/regression/RosenbrockChapman/regression_test_solve_policy.hpp
@@ -0,0 +1,87 @@
+#include <micm/util/matrix.hpp>
+#include <micm/util/sparse_matrix.hpp>
+#include <micm/util/sparse_matrix_vector_ordering.hpp>
+#include <micm/util/vector_matrix.hpp>
+#include <random>
+
+#include "chapman_ode_solver.hpp"
+#include "util.hpp"
+
+template<class OdeSolverPolicy>
+void testSolve(OdeSolverPolicy& solver, double relative_tolerance = 1.0e-8)
+{
+  auto get_double = std::bind(std::lognormal_distribution(-2.0, 2.0), std::default_random_engine());
+  micm::ChapmanODESolver fixed_solver{};
+
+  auto state = solver.GetState();
+  auto fixed_state = fixed_solver.GetState();
+
+  // set conditions
+  const std::vector<std::vector<double>> photo_rates{ { 1.0e-4, 1.0e-5, 1.0e-6 },
+                                                      { 3.2e-4, 7.3e-5, 3.2e-6 },
+                                                      { 5.2e-4, 8.2e-5, 4.6e-6 } };
+  state.custom_rate_parameters_ = photo_rates;
+  state.conditions_[0].temperature_ = 284.19;  // [K]
+  state.conditions_[0].pressure_ = 101245.0;   // [Pa]
+  state.conditions_[1].temperature_ = 215.02;  // [K]
+  state.conditions_[1].pressure_ = 100789.2;   // [Pa]
+  state.conditions_[2].temperature_ = 299.31;  // [K]
+  state.conditions_[2].pressure_ = 101398.0;   // [Pa]
+  std::vector<std::vector<double>> variables(3, std::vector<double>(fixed_state.variables_[0].size(), 0.0));
+  double abs_tol = 0.0;
+  for (int i = 0; i < 3; ++i)
+    for (int j = 0; j < fixed_state.variables_[0].size(); ++j)
+    {
+      variables[i][j] = get_double();
+      abs_tol = std::max(abs_tol, variables[i][j]);
+    }
+  state.variables_ = variables;
+  abs_tol *= 1.0e-12;
+
+  // run solvers
+  auto results = solver.Solve(500.0, state);
+  micm::ChapmanODESolver::SolverResult fixed_results[3];
+  for (int i = 0; i < 3; ++i)
+  {
+    for (int j = 0; j < 3; ++j)
+      fixed_state.custom_rate_parameters_[0][j] = photo_rates[i][j];
+    fixed_state.conditions_[0].temperature_ = state.conditions_[i].temperature_;
+    fixed_state.conditions_[0].pressure_ = state.conditions_[i].pressure_;
+    for (int j = 0; j < fixed_state.variables_[0].size(); ++j)
+      fixed_state.variables_[0][j] = variables[i][state.variable_map_[fixed_solver.species_names()[j]]];
+    fixed_solver.UpdateState(fixed_state);
+    fixed_results[i] = fixed_solver.Solve(0.0, 500.0, fixed_state);
+  }
+
+  // compare results
+  for (int i = 0; i < 3; ++i)
+    for (int j = 0; j < fixed_results[i].result_.size(); ++j)
+    {
+      double a = results.result_[i][state.variable_map_[fixed_solver.species_names()[j]]];
+      double b = fixed_results[i].result_[j];
+      EXPECT_NEAR(a, b, (std::abs(a) + std::abs(b)) * relative_tolerance + abs_tol);
+    }
+}
+
+template<class T>
+using DenseMatrix = micm::Matrix<T>;
+template<class T>
+using SparseMatrix = micm::SparseMatrix<T>;
+
+template<class T>
+using Group1VectorMatrix = micm::VectorMatrix<T, 1>;
+template<class T>
+using Group2VectorMatrix = micm::VectorMatrix<T, 2>;
+template<class T>
+using Group3VectorMatrix = micm::VectorMatrix<T, 3>;
+template<class T>
+using Group4VectorMatrix = micm::VectorMatrix<T, 4>;
+
+template<class T>
+using Group1SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<1>>;
+template<class T>
+using Group2SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<2>>;
+template<class T>
+using Group3SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<3>>;
+template<class T>
+using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<4>>;
\ No newline at end of file

From 806d1d4ad3fc8a90512efb878a8ddadb33df6e4d Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Tue, 3 Oct 2023 17:09:25 -0700
Subject: [PATCH 067/318] add first JitRosenbrockSolver analytical integration
 test

---
 include/micm/process/jit_process_set.hpp      |    5 +
 include/micm/solver/jit_linear_solver.inl     |    5 +
 include/micm/solver/jit_lu_decomposition.inl  |    6 +-
 include/micm/solver/jit_rosenbrock.hpp        |    6 +
 test/integration/CMakeLists.txt               |    6 +-
 .../integration/analytical_jit_rosenbrock.cpp |   33 +
 .../{analytical.cpp => analytical_policy.hpp} |   26 +-
 test/integration/analytical_rosenbrock.cpp    | 2036 +++++++++++++++++
 8 files changed, 2105 insertions(+), 18 deletions(-)
 create mode 100644 test/integration/analytical_jit_rosenbrock.cpp
 rename test/integration/{analytical.cpp => analytical_policy.hpp} (99%)
 create mode 100644 test/integration/analytical_rosenbrock.cpp

diff --git a/include/micm/process/jit_process_set.hpp b/include/micm/process/jit_process_set.hpp
index d2c0e9eed..73ce47c08 100644
--- a/include/micm/process/jit_process_set.hpp
+++ b/include/micm/process/jit_process_set.hpp
@@ -99,6 +99,7 @@ namespace micm
     jacobian_function_ = std::move(other.jacobian_function_);
     other.forcing_function_ = NULL;
     other.jacobian_function_ = NULL;
+    return *this;
   }
 
   template<std::size_t L>
@@ -112,6 +113,10 @@ namespace micm
   {
     forcing_function_ = NULL;
     jacobian_function_ = NULL;
+    if (state.variables_.size() != L || state.variables_.GroupVectorSize() != L)
+    {
+      throw std::runtime_error("Invalid state for JitProcessSet. Check the the VectorMatrix template parameters.");
+    }
     this->GenerateForcingFunction();
   }
 
diff --git a/include/micm/solver/jit_linear_solver.inl b/include/micm/solver/jit_linear_solver.inl
index 69f1158e7..35d1cf98f 100644
--- a/include/micm/solver/jit_linear_solver.inl
+++ b/include/micm/solver/jit_linear_solver.inl
@@ -23,6 +23,7 @@ namespace micm
     solve_function_resource_tracker_ = std::move(other.solve_function_resource_tracker_);
     solve_function_ = std::move(other.solve_function_);
     other.solve_function_ = NULL;
+    return *this;
   }
 
   template<std::size_t L, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
@@ -38,6 +39,10 @@ namespace micm
         compiler_(compiler)
   {
     solve_function_ = NULL;
+    if (matrix.size() != L || matrix.GroupVectorSize() != L)
+    {
+      throw std::runtime_error("Invalid matrix for JitLinearSolver. Check the the VectorMatrix template parameters.");
+    }
     GenerateSolveFunction();
   }
 
diff --git a/include/micm/solver/jit_lu_decomposition.inl b/include/micm/solver/jit_lu_decomposition.inl
index ed3eee038..a9c0b038e 100644
--- a/include/micm/solver/jit_lu_decomposition.inl
+++ b/include/micm/solver/jit_lu_decomposition.inl
@@ -22,6 +22,7 @@ namespace micm
     decompose_function_resource_tracker_ = std::move(other.decompose_function_resource_tracker_);
     decompose_function_ = std::move(other.decompose_function_);
     other.decompose_function_ = NULL;
+    return *this;
   }
 
   template<std::size_t L>
@@ -32,7 +33,10 @@ namespace micm
         compiler_(compiler)
   {
     decompose_function_ = NULL;
-    assert(matrix.size() <= L && "Jit LU Decomposition matrix size mismatch");
+    if (matrix.size() > L)
+    {
+      throw std::runtime_error("Invalid matrix for JitLuDecomposition. Check the the VectorMatrix template parameters.");
+    }
     GenerateDecomposeFunction();
   }
 
diff --git a/include/micm/solver/jit_rosenbrock.hpp b/include/micm/solver/jit_rosenbrock.hpp
index 68e554ab1..14fd8b656 100644
--- a/include/micm/solver/jit_rosenbrock.hpp
+++ b/include/micm/solver/jit_rosenbrock.hpp
@@ -57,6 +57,7 @@ namespace micm
       function_resource_tracker_ = std::move(other.function_resource_tracker_);
       alpha_minus_jacobian_ = std::move(other.alpha_minus_jacobian_);
       other.alpha_minus_jacobian_ = NULL;
+      return *this;
     }
 
     /// @brief Builds a Rosenbrock solver for the given system, processes, and solver parameters
@@ -76,6 +77,11 @@ namespace micm
               }),
           compiler_(compiler)
     {
+      MatrixPolicy<double> temp{};
+      if (temp.GroupVectorSize() != parameters.number_of_grid_cells_)
+      {
+        throw std::runtime_error("Number of grid cells for JitRosenbrockSolver must match template parameter.");
+      }
       this->GenerateAlphaMinusJacobian();
     }
 
diff --git a/test/integration/CMakeLists.txt b/test/integration/CMakeLists.txt
index cb34b13bb..463e70d86 100644
--- a/test/integration/CMakeLists.txt
+++ b/test/integration/CMakeLists.txt
@@ -7,4 +7,8 @@ include(test_util)
 # Tests
 
 create_standard_test(NAME chapman_integration SOURCES chapman.cpp)
-create_standard_test(NAME analytical_integration SOURCES analytical.cpp)
\ No newline at end of file
+create_standard_test(NAME analytical_rosenbrock_integration SOURCES analytical_rosenbrock.cpp)
+
+if(ENABLE_LLVM)
+  create_standard_test(NAME analytical_jit_rosenbrock_integration SOURCES analytical_jit_rosenbrock.cpp)
+endif()
\ No newline at end of file
diff --git a/test/integration/analytical_jit_rosenbrock.cpp b/test/integration/analytical_jit_rosenbrock.cpp
new file mode 100644
index 000000000..1d63191c7
--- /dev/null
+++ b/test/integration/analytical_jit_rosenbrock.cpp
@@ -0,0 +1,33 @@
+#include <gtest/gtest.h>
+
+#include <micm/solver/jit_rosenbrock.hpp>
+
+#include "analytical_policy.hpp"
+
+template<class T>
+using DefaultVectorMatrix = micm::VectorMatrix<T, 1>;
+
+template<class T>
+using DefaultSparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<1>>;
+
+using DefaultJitRosenbrockSolver = micm::JitRosenbrockSolver<
+    DefaultVectorMatrix,
+    DefaultSparseVectorMatrix,
+    micm::JitLinearSolver<1, DefaultSparseVectorMatrix, micm::JitLuDecomposition<1>>>;
+
+TEST(AnalyticalExamplesJitRosenbrock, Troe)
+{
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  test_analytical_troe<DefaultJitRosenbrockSolver>(
+      [&](const micm::System& s, const std::vector<micm::Process>& p) -> DefaultJitRosenbrockSolver
+      {
+        return DefaultJitRosenbrockSolver{
+          jit.get(), s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
\ No newline at end of file
diff --git a/test/integration/analytical.cpp b/test/integration/analytical_policy.hpp
similarity index 99%
rename from test/integration/analytical.cpp
rename to test/integration/analytical_policy.hpp
index 82654f1c6..c713b823d 100644
--- a/test/integration/analytical.cpp
+++ b/test/integration/analytical_policy.hpp
@@ -1,6 +1,5 @@
-#include <gtest/gtest.h>
-
 #include <fstream>
+#include <functional>
 #include <iostream>
 #include <micm/process/arrhenius_rate_constant.hpp>
 #include <micm/process/branched_rate_constant.hpp>
@@ -9,19 +8,13 @@
 #include <micm/process/troe_rate_constant.hpp>
 #include <micm/process/tunneling_rate_constant.hpp>
 #include <micm/process/user_defined_rate_constant.hpp>
-#include <micm/solver/rosenbrock.hpp>
 #include <micm/solver/state.hpp>
 #include <micm/system/phase.hpp>
 #include <micm/system/system.hpp>
 #include <micm/util/constants.hpp>
-#include <micm/util/matrix.hpp>
 #include <utility>
 #include <vector>
 
-#include "e5.hpp"
-#include "hires.hpp"
-#include "oregonator.hpp"
-
 constexpr size_t nsteps = 1000;
 
 double relative_difference(double a, double b)
@@ -76,7 +69,9 @@ using yields = std::pair<micm::Species, double>;
 template<class T>
 using SparseMatrixTest = micm::SparseMatrix<T>;
 
-TEST(AnalyticalExamples, Troe)
+template<class OdeSolverPolicy>
+void test_analytical_troe(
+    const std::function<OdeSolverPolicy(const micm::System&, const std::vector<micm::Process>&)> create_solver)
 {
   /*
    * A -> B, k1
@@ -110,11 +105,8 @@ TEST(AnalyticalExamples, Troe)
                                                                  .N_ = 0.8 }))
                          .phase(gas_phase);
 
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
+  OdeSolverPolicy solver =
+      create_solver(micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::vector<micm::Process>{ r1, r2 });
 
   double temperature = 272.5;
   double pressure = 101253.3;
@@ -133,7 +125,7 @@ TEST(AnalyticalExamples, Troe)
               std::pow(0.9, 1.0 / (1.0 + (1.0 / 0.8) * std::pow(std::log10(k_0 * air_density / k_inf), 2)));
 
   double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(3));
   std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
@@ -193,6 +185,7 @@ TEST(AnalyticalExamples, Troe)
   }
 }
 
+#if 0
 TEST(AnalyticalExamples, TroeSuperStiffButAnalytical)
 {
   /*
@@ -2203,4 +2196,5 @@ TEST(AnalyticalExamples, E5)
           << "difference at (" << i << ", " << j << ")";
     }
   }
-}
\ No newline at end of file
+}
+#endif
\ No newline at end of file
diff --git a/test/integration/analytical_rosenbrock.cpp b/test/integration/analytical_rosenbrock.cpp
new file mode 100644
index 000000000..19e50d5a2
--- /dev/null
+++ b/test/integration/analytical_rosenbrock.cpp
@@ -0,0 +1,2036 @@
+#include <gtest/gtest.h>
+
+#include <micm/solver/rosenbrock.hpp>
+#include <micm/util/matrix.hpp>
+
+#include "analytical_policy.hpp"
+#include "e5.hpp"
+#include "hires.hpp"
+#include "oregonator.hpp"
+
+template<class T>
+using SparseMatrixTest = micm::SparseMatrix<T>;
+
+TEST(AnalyticalExamples, Troe)
+{
+  test_analytical_troe<micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>>(
+      [](const micm::System& s,
+         const std::vector<micm::Process>& p) -> micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>
+      {
+        return micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>{
+          s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
+
+TEST(AnalyticalExamples, TroeSuperStiffButAnalytical)
+{
+  /*
+   * A1 -> B, k1
+   * A2 -> B, k1
+   * A1 -> A2, k3 >>> k1
+   * A2 -> A1, k4 >>> k1
+   * B -> C, k2
+   *
+   */
+
+  auto a1 = micm::Species("A1");
+  auto a2 = micm::Species("A2");
+  auto b = micm::Species("B");
+  auto c = micm::Species("C");
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ a1, a2, b, c } };
+
+  micm::Process r1 = micm::Process::create()
+                         .reactants({ a1 })
+                         .products({ yields(b, 1) })
+                         .rate_constant(micm::TroeRateConstant({ .k0_A_ = 4.0e-10 }))
+                         .phase(gas_phase);
+
+  micm::Process r2 = micm::Process::create()
+                         .reactants({ a2 })
+                         .products({ yields(b, 1) })
+                         .rate_constant(micm::TroeRateConstant({ .k0_A_ = 4.0e-10 }))
+                         .phase(gas_phase);
+
+  micm::Process r3 = micm::Process::create()
+                         .reactants({ b })
+                         .products({ yields(c, 1) })
+                         .rate_constant(micm::TroeRateConstant({ .k0_A_ = 1.2e-3,
+                                                                 .k0_B_ = 167,
+                                                                 .k0_C_ = 3,
+                                                                 .kinf_A_ = 136,
+                                                                 .kinf_B_ = 5,
+                                                                 .kinf_C_ = 24,
+                                                                 .Fc_ = 0.9,
+                                                                 .N_ = 0.8 }))
+                         .phase(gas_phase);
+
+  micm::Process r4 = micm::Process::create()
+                         .reactants({ a1 })
+                         .products({ yields(a2, 1) })
+                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 4.0e10 }))
+                         .phase(gas_phase);
+
+  micm::Process r5 = micm::Process::create()
+                         .reactants({ a2 })
+                         .products({ yields(a1, 1) })
+                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 0.9 * 4.0e10 }))
+                         .phase(gas_phase);
+
+  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
+    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+    std::vector<micm::Process>{ r1, r2, r3, r4, r5 },
+    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+  };
+
+  double temperature = 272.5;
+  double pressure = 101253.3;
+  double air_density = 1e6;
+
+  // A->B reaction rate
+  double k_0 = 4.0e-10;
+  double k_inf = 1;
+  double k1 = k_0 * air_density / (1.0 + k_0 * air_density / k_inf) *
+              std::pow(0.6, 1.0 / (1.0 + (1.0 / 1.0) * std::pow(std::log10(k_0 * air_density / k_inf), 2)));
+
+  // B->C reaction rate
+  k_0 = 1.2e-3 * std::exp(3.0 / temperature) * std::pow(temperature / 300.0, 167.0);
+  k_inf = 136.0 * std::exp(24.0 / temperature) * std::pow(temperature / 300.0, 5.0);
+  double k2 = k_0 * air_density / (1.0 + k_0 * air_density / k_inf) *
+              std::pow(0.9, 1.0 / (1.0 + (1.0 / 0.8) * std::pow(std::log10(k_0 * air_density / k_inf), 2)));
+
+  double time_step = 1.0;
+  micm::State<micm::Matrix> state = solver.GetState();
+
+  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(4));
+  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
+
+  state.SetConcentration(a1, 0.5);
+  state.SetConcentration(a2, 0.5);
+  state.SetConcentration(b, 0.0);
+  state.SetConcentration(c, 0.0);
+
+  model_concentrations[0] = state.variables_[0];
+  analytical_concentrations[0] = { 1, 0, 0 };
+
+  state.variables_[0] = model_concentrations[0];
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.conditions_[0].air_density_ = air_density;
+
+  size_t idx_A = 0, idx_B = 1, idx_C = 2;
+
+  std::vector<double> times;
+  times.push_back(0);
+  for (size_t i_time = 1; i_time < nsteps; ++i_time)
+  {
+    times.push_back(time_step);
+    // Model results
+    auto result = solver.Solve(time_step, state);
+    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
+    model_concentrations[i_time] = result.result_.AsVector();
+    state.variables_[0] = result.result_.AsVector();
+
+    // Analytical results
+    double time = i_time * time_step;
+
+    double initial_A = analytical_concentrations[0][idx_A];
+    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
+    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
+
+    analytical_concentrations[i_time][idx_C] =
+        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
+  }
+
+  auto header = state.variable_names_;
+  header.insert(header.begin(), "time");
+  writeCSV("stiff_model_concentrations.csv", header, model_concentrations, times);
+
+  auto map = state.variable_map_;
+
+  size_t _a1 = map.at("A1");
+  size_t _a2 = map.at("A2");
+  size_t _b = map.at("B");
+  size_t _c = map.at("C");
+
+  for (size_t i = 0; i < model_concentrations.size(); ++i)
+  {
+    EXPECT_NEAR(model_concentrations[i][_a1] + model_concentrations[i][_a2], analytical_concentrations[i][0], 1e-4);
+    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-4);
+    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-4);
+  }
+}
+
+TEST(AnalyticalExamples, Photolysis)
+{
+  /*
+   * A -> B, k1
+   * B -> C, k2
+   *
+   * Copying the CAMP example: https://github.com/open-atmos/camp/blob/main/test/unit_rxn_data/test_rxn_photolysis.F90
+   */
+
+  auto a = micm::Species("A");
+  auto b = micm::Species("B");
+  auto c = micm::Species("C");
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ a, b, c } };
+
+  micm::Process r1 = micm::Process::create()
+                         .reactants({ a })
+                         .products({ yields(b, 1) })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "photoA" }))
+                         .phase(gas_phase);
+
+  micm::Process r2 = micm::Process::create()
+                         .reactants({ b })
+                         .products({ yields(c, 1) })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "photoB" }))
+                         .phase(gas_phase);
+
+  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
+    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+    std::vector<micm::Process>{ r1, r2 },
+    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+  };
+
+  double temperature = 272.5;
+  double pressure = 101253.3;
+  double air_density = 1e6;
+
+  // A->B reaction rate
+  double k1 = 2e-3;
+
+  // B->C reaction rate
+  double k2 = 3e-3;
+
+  double time_step = 1.0;
+  micm::State<micm::Matrix> state = solver.GetState();
+
+  state.SetCustomRateParameter("photoA", k1);
+  state.SetCustomRateParameter("photoB", k2);
+
+  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(3));
+  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
+
+  model_concentrations[0] = { 1, 0, 0 };
+  analytical_concentrations[0] = { 1, 0, 0 };
+
+  state.variables_[0] = model_concentrations[0];
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.conditions_[0].air_density_ = air_density;
+
+  size_t idx_A = 0, idx_B = 1, idx_C = 2;
+
+  std::vector<double> times;
+  times.push_back(0);
+  for (size_t i_time = 1; i_time < nsteps; ++i_time)
+  {
+    times.push_back(time_step);
+    // Model results
+    auto result = solver.Solve(time_step, state);
+    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
+    EXPECT_NEAR(k1, state.rate_constants_.AsVector()[0], 1e-8);
+    EXPECT_NEAR(k2, state.rate_constants_.AsVector()[1], 1e-8);
+    model_concentrations[i_time] = result.result_.AsVector();
+    state.variables_[0] = result.result_.AsVector();
+
+    // Analytical results
+    double time = i_time * time_step;
+
+    double initial_A = analytical_concentrations[0][idx_A];
+    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
+    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
+
+    analytical_concentrations[i_time][idx_C] =
+        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
+  }
+
+  std::vector<std::string> header = { "time", "A", "B", "C" };
+  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, times);
+  writeCSV("model_concentrations.csv", header, model_concentrations, times);
+
+  auto map = state.variable_map_;
+
+  size_t _a = map.at("A");
+  size_t _b = map.at("B");
+  size_t _c = map.at("C");
+
+  for (size_t i = 0; i < model_concentrations.size(); ++i)
+  {
+    EXPECT_NEAR(model_concentrations[i][_a], analytical_concentrations[i][0], 1e-8)
+        << "Arrays differ at index (" << i << ", " << 0 << ")";
+    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-8)
+        << "Arrays differ at index (" << i << ", " << 1 << ")";
+    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-8)
+        << "Arrays differ at index (" << i << ", " << 2 << ")";
+  }
+}
+
+TEST(AnalyticalExamples, PhotolysisSuperStiffButAnalytical)
+{
+  /*
+   * A1 -> B, k1
+   * A2 -> B, k1
+   * A1 -> A2, k3 >>> k1
+   * A2 -> A1, k4 >>> k1
+   * B -> C, k2
+   *
+   */
+
+  auto a1 = micm::Species("A1");
+  auto a2 = micm::Species("A2");
+  auto b = micm::Species("B");
+  auto c = micm::Species("C");
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ a1, a2, b, c } };
+
+  micm::Process r1 = micm::Process::create()
+                         .reactants({ a1 })
+                         .products({ yields(b, 1) })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "photoA1B" }))
+                         .phase(gas_phase);
+
+  micm::Process r2 = micm::Process::create()
+                         .reactants({ a2 })
+                         .products({ yields(b, 1) })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "photoA2B" }))
+                         .phase(gas_phase);
+
+  micm::Process r3 = micm::Process::create()
+                         .reactants({ b })
+                         .products({ yields(c, 1) })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "photoB" }))
+                         .phase(gas_phase);
+
+  micm::Process r4 = micm::Process::create()
+                         .reactants({ a1 })
+                         .products({ yields(a2, 1) })
+                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 4.0e10 }))
+                         .phase(gas_phase);
+
+  micm::Process r5 = micm::Process::create()
+                         .reactants({ a2 })
+                         .products({ yields(a1, 1) })
+                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 0.9 * 4.0e10 }))
+                         .phase(gas_phase);
+
+  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
+    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+    std::vector<micm::Process>{ r1, r2, r3, r4, r5 },
+    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+  };
+
+  double temperature = 272.5;
+  double pressure = 101253.3;
+  double air_density = 1e6;
+
+  // A->B reaction rate
+  double k1 = 2e-3;
+
+  // B->C reaction rate
+  double k2 = 3e-3;
+
+  double time_step = 1.0;
+  micm::State<micm::Matrix> state = solver.GetState();
+
+  state.SetCustomRateParameter("photoA1B", k1);
+  state.SetCustomRateParameter("photoA2B", k1);
+  state.SetCustomRateParameter("photoB", k2);
+
+  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(3));
+  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
+
+  state.SetConcentration(a1, 0.5);
+  state.SetConcentration(a2, 0.5);
+  state.SetConcentration(b, 0.0);
+  state.SetConcentration(c, 0.0);
+
+  model_concentrations[0] = state.variables_[0];
+
+  analytical_concentrations[0] = { 1, 0, 0 };
+
+  state.variables_[0] = model_concentrations[0];
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.conditions_[0].air_density_ = air_density;
+
+  size_t idx_A = 0, idx_B = 1, idx_C = 2;
+
+  std::vector<double> times;
+  times.push_back(0);
+  for (size_t i_time = 1; i_time < nsteps; ++i_time)
+  {
+    times.push_back(time_step);
+    // Model results
+    auto result = solver.Solve(time_step, state);
+    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
+    model_concentrations[i_time] = result.result_.AsVector();
+    state.variables_[0] = result.result_.AsVector();
+
+    // Analytical results
+    double time = i_time * time_step;
+
+    double initial_A = analytical_concentrations[0][idx_A];
+    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
+    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
+
+    analytical_concentrations[i_time][idx_C] =
+        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
+  }
+
+  std::vector<std::string> header = { "time", "A", "B", "C" };
+  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, times);
+  writeCSV("model_concentrations.csv", header, model_concentrations, times);
+
+  auto map = state.variable_map_;
+
+  size_t _a1 = map.at("A1");
+  size_t _a2 = map.at("A2");
+  size_t _b = map.at("B");
+  size_t _c = map.at("C");
+
+  for (size_t i = 0; i < model_concentrations.size(); ++i)
+  {
+    EXPECT_NEAR(model_concentrations[i][_a1] + model_concentrations[i][_a2], analytical_concentrations[i][0], 1e-4);
+    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-4);
+    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-4);
+  }
+}
+
+TEST(AnalyticalExamples, TernaryChemicalActivation)
+{
+  /*
+   * A -> B, k1
+   * B -> C, k2
+   *
+   * Copying the CAMP example:
+   * https://github.com/open-atmos/camp/blob/main/test/unit_rxn_data/test_rxn_ternary_chemical_activation.F90
+   */
+
+  auto a = micm::Species("A");
+  auto b = micm::Species("B");
+  auto c = micm::Species("C");
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ a, b, c } };
+
+  micm::Process r1 = micm::Process::create()
+                         .reactants({ a })
+                         .products({ yields(b, 1) })
+                         .rate_constant(micm::TernaryChemicalActivationRateConstant({ .k0_A_ = 4.0e-10, .kinf_A_ = 1 }))
+                         .phase(gas_phase);
+
+  micm::Process r2 = micm::Process::create()
+                         .reactants({ b })
+                         .products({ yields(c, 1) })
+                         .rate_constant(micm::TernaryChemicalActivationRateConstant({ .k0_A_ = 1.2e-3,
+                                                                                      .k0_B_ = 167,
+                                                                                      .k0_C_ = 3,
+                                                                                      .kinf_A_ = 136,
+                                                                                      .kinf_B_ = 5,
+                                                                                      .kinf_C_ = 24,
+                                                                                      .Fc_ = 0.9,
+                                                                                      .N_ = 0.8 }))
+                         .phase(gas_phase);
+
+  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
+    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+    std::vector<micm::Process>{ r1, r2 },
+    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+  };
+
+  double temperature = 272.5;
+  double pressure = 101253.3;
+  double air_density = 1e6;
+
+  // A->B reaction rate
+  double k_0 = 4.0e-10;
+  double k_inf = 1;
+  double k1 = k_0 / (1.0 + k_0 * air_density / k_inf) *
+              std::pow(0.6, 1.0 / (1.0 + (1.0 / 1.0) * std::pow(std::log10(k_0 * air_density / k_inf), 2)));
+
+  // B->C reaction rate
+  k_0 = 1.2e-3 * std::exp(3.0 / temperature) * std::pow(temperature / 300.0, 167.0);
+  k_inf = 136.0 * std::exp(24.0 / temperature) * std::pow(temperature / 300.0, 5.0);
+  double k2 = k_0 / (1.0 + k_0 * air_density / k_inf) *
+              std::pow(0.9, 1.0 / (1.0 + (1.0 / 0.8) * std::pow(std::log10(k_0 * air_density / k_inf), 2)));
+
+  double time_step = 1.0;
+  micm::State<micm::Matrix> state = solver.GetState();
+
+  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(3));
+  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
+
+  model_concentrations[0] = { 1, 0, 0 };
+  analytical_concentrations[0] = { 1, 0, 0 };
+
+  state.variables_[0] = model_concentrations[0];
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.conditions_[0].air_density_ = air_density;
+
+  size_t idx_A = 0, idx_B = 1, idx_C = 2;
+
+  std::vector<double> times;
+  times.push_back(0);
+  for (size_t i_time = 1; i_time < nsteps; ++i_time)
+  {
+    times.push_back(time_step);
+    // Model results
+    auto result = solver.Solve(time_step, state);
+    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
+    EXPECT_NEAR(k1, state.rate_constants_.AsVector()[0], 1e-8);
+    EXPECT_NEAR(k2, state.rate_constants_.AsVector()[1], 1e-8);
+    model_concentrations[i_time] = result.result_.AsVector();
+    state.variables_[0] = result.result_.AsVector();
+
+    // Analytical results
+    double time = i_time * time_step;
+
+    double initial_A = analytical_concentrations[0][idx_A];
+    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
+    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
+
+    analytical_concentrations[i_time][idx_C] =
+        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
+  }
+
+  std::vector<std::string> header = { "time", "A", "B", "C" };
+  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, times);
+  writeCSV("model_concentrations.csv", header, model_concentrations, times);
+
+  auto map = state.variable_map_;
+
+  size_t _a = map.at("A");
+  size_t _b = map.at("B");
+  size_t _c = map.at("C");
+
+  for (size_t i = 0; i < model_concentrations.size(); ++i)
+  {
+    EXPECT_NEAR(model_concentrations[i][_a], analytical_concentrations[i][0], 1e-8)
+        << "Arrays differ at index (" << i << ", " << 0 << ")";
+    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-8)
+        << "Arrays differ at index (" << i << ", " << 1 << ")";
+    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-8)
+        << "Arrays differ at index (" << i << ", " << 2 << ")";
+  }
+}
+
+TEST(AnalyticalExamples, TernaryChemicalActivationSuperStiffButAnalytical)
+{
+  /*
+   * A1 -> B, k1
+   * A2 -> B, k1
+   * A1 -> A2, k3 >>> k1
+   * A2 -> A1, k4 >>> k1
+   * B -> C, k2
+   *
+   */
+
+  auto a1 = micm::Species("A1");
+  auto a2 = micm::Species("A2");
+  auto b = micm::Species("B");
+  auto c = micm::Species("C");
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ a1, a2, b, c } };
+
+  micm::Process r1 = micm::Process::create()
+                         .reactants({ a1 })
+                         .products({ yields(b, 1) })
+                         .rate_constant(micm::TernaryChemicalActivationRateConstant({ .k0_A_ = 4.0e-10, .kinf_A_ = 1 }))
+                         .phase(gas_phase);
+
+  micm::Process r2 = micm::Process::create()
+                         .reactants({ a2 })
+                         .products({ yields(b, 1) })
+                         .rate_constant(micm::TernaryChemicalActivationRateConstant({ .k0_A_ = 4.0e-10, .kinf_A_ = 1 }))
+                         .phase(gas_phase);
+
+  micm::Process r3 = micm::Process::create()
+                         .reactants({ b })
+                         .products({ yields(c, 1) })
+                         .rate_constant(micm::TernaryChemicalActivationRateConstant({ .k0_A_ = 1.2e-3,
+                                                                                      .k0_B_ = 167,
+                                                                                      .k0_C_ = 3,
+                                                                                      .kinf_A_ = 136,
+                                                                                      .kinf_B_ = 5,
+                                                                                      .kinf_C_ = 24,
+                                                                                      .Fc_ = 0.9,
+                                                                                      .N_ = 0.8 }))
+                         .phase(gas_phase);
+
+  micm::Process r4 = micm::Process::create()
+                         .reactants({ a1 })
+                         .products({ yields(a2, 1) })
+                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 4.0e10 }))
+                         .phase(gas_phase);
+
+  micm::Process r5 = micm::Process::create()
+                         .reactants({ a2 })
+                         .products({ yields(a1, 1) })
+                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 0.9 * 4.0e10 }))
+                         .phase(gas_phase);
+
+  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
+    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+    std::vector<micm::Process>{ r1, r2, r3, r4, r5 },
+    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+  };
+
+  double temperature = 272.5;
+  double pressure = 101253.3;
+  double air_density = 1e6;
+
+  // A->B reaction rate
+  double k_0 = 4.0e-10;
+  double k_inf = 1;
+  double k1 = k_0 / (1.0 + k_0 * air_density / k_inf) *
+              std::pow(0.6, 1.0 / (1.0 + (1.0 / 1.0) * std::pow(std::log10(k_0 * air_density / k_inf), 2)));
+
+  // B->C reaction rate
+  k_0 = 1.2e-3 * std::exp(3.0 / temperature) * std::pow(temperature / 300.0, 167.0);
+  k_inf = 136.0 * std::exp(24.0 / temperature) * std::pow(temperature / 300.0, 5.0);
+  double k2 = k_0 / (1.0 + k_0 * air_density / k_inf) *
+              std::pow(0.9, 1.0 / (1.0 + (1.0 / 0.8) * std::pow(std::log10(k_0 * air_density / k_inf), 2)));
+
+  double time_step = 1.0;
+  micm::State<micm::Matrix> state = solver.GetState();
+
+  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(4));
+  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
+
+  state.SetConcentration(a1, 0.5);
+  state.SetConcentration(a2, 0.5);
+  state.SetConcentration(b, 0.0);
+  state.SetConcentration(c, 0.0);
+
+  model_concentrations[0] = state.variables_[0];
+  analytical_concentrations[0] = { 1, 0, 0 };
+
+  state.variables_[0] = model_concentrations[0];
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.conditions_[0].air_density_ = air_density;
+
+  size_t idx_A = 0, idx_B = 1, idx_C = 2;
+
+  std::vector<double> times;
+  times.push_back(0);
+  for (size_t i_time = 1; i_time < nsteps; ++i_time)
+  {
+    times.push_back(time_step);
+    // Model results
+    auto result = solver.Solve(time_step, state);
+    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
+    model_concentrations[i_time] = result.result_.AsVector();
+    state.variables_[0] = result.result_.AsVector();
+
+    // Analytical results
+    double time = i_time * time_step;
+
+    double initial_A = analytical_concentrations[0][idx_A];
+    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
+    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
+
+    analytical_concentrations[i_time][idx_C] =
+        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
+  }
+
+  auto header = state.variable_names_;
+  header.insert(header.begin(), "time");
+  writeCSV("stiff_model_concentrations.csv", header, model_concentrations, times);
+
+  auto map = state.variable_map_;
+
+  size_t _a1 = map.at("A1");
+  size_t _a2 = map.at("A2");
+  size_t _b = map.at("B");
+  size_t _c = map.at("C");
+
+  for (size_t i = 0; i < model_concentrations.size(); ++i)
+  {
+    EXPECT_NEAR(model_concentrations[i][_a1] + model_concentrations[i][_a2], analytical_concentrations[i][0], 1e-4);
+    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-4);
+    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-4);
+  }
+}
+
+TEST(AnalyticalExamples, Tunneling)
+{
+  /*
+   * A -> B, k1
+   * B -> C, k2
+   *
+   * Copying the CAMP example:
+   * https://github.com/open-atmos/camp/blob/main/test/unit_rxn_data/test_rxn_wennberg_tunneling.F90
+   */
+
+  auto a = micm::Species("A");
+  auto b = micm::Species("B");
+  auto c = micm::Species("C");
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ a, b, c } };
+
+  micm::Process r1 = micm::Process::create()
+                         .reactants({ a })
+                         .products({ yields(b, 1) })
+                         .rate_constant(micm::TunnelingRateConstant({ .A_ = 4.0e-3 }))
+                         .phase(gas_phase);
+
+  micm::Process r2 = micm::Process::create()
+                         .reactants({ b })
+                         .products({ yields(c, 1) })
+                         .rate_constant(micm::TunnelingRateConstant({ .A_ = 1.2e-4, .B_ = 167, .C_ = 1.0e8 }))
+                         .phase(gas_phase);
+
+  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
+    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+    std::vector<micm::Process>{ r1, r2 },
+    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+  };
+
+  double temperature = 272.5;
+  double pressure = 101253.3;
+  double air_density = 1e6;
+
+  // A->B reaction rate
+  double k1 = 4.0e-3;
+
+  // B->C reaction rate
+  double k2 = 1.2e-4 * std::exp(-167 / temperature + 1.0e8 / std::pow(temperature, 3));
+
+  double time_step = 1.0;
+  micm::State<micm::Matrix> state = solver.GetState();
+
+  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(3));
+  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
+
+  model_concentrations[0] = { 1, 0, 0 };
+  analytical_concentrations[0] = { 1, 0, 0 };
+
+  state.variables_[0] = model_concentrations[0];
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.conditions_[0].air_density_ = air_density;
+
+  size_t idx_A = 0, idx_B = 1, idx_C = 2;
+
+  std::vector<double> times;
+  times.push_back(0);
+  for (size_t i_time = 1; i_time < nsteps; ++i_time)
+  {
+    times.push_back(time_step);
+    // Model results
+    auto result = solver.Solve(time_step, state);
+    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
+    EXPECT_NEAR(k1, state.rate_constants_.AsVector()[0], 1e-8);
+    EXPECT_NEAR(k2, state.rate_constants_.AsVector()[1], 1e-8);
+    model_concentrations[i_time] = result.result_.AsVector();
+    state.variables_[0] = result.result_.AsVector();
+
+    // Analytical results
+    double time = i_time * time_step;
+
+    double initial_A = analytical_concentrations[0][idx_A];
+    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
+    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
+
+    analytical_concentrations[i_time][idx_C] =
+        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
+  }
+
+  std::vector<std::string> header = { "time", "A", "B", "C" };
+  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, times);
+  writeCSV("model_concentrations.csv", header, model_concentrations, times);
+
+  auto map = state.variable_map_;
+
+  size_t _a = map.at("A");
+  size_t _b = map.at("B");
+  size_t _c = map.at("C");
+
+  for (size_t i = 0; i < model_concentrations.size(); ++i)
+  {
+    EXPECT_NEAR(model_concentrations[i][_a], analytical_concentrations[i][0], 1e-8)
+        << "Arrays differ at index (" << i << ", " << 0 << ")";
+    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-8)
+        << "Arrays differ at index (" << i << ", " << 1 << ")";
+    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-8)
+        << "Arrays differ at index (" << i << ", " << 2 << ")";
+  }
+}
+
+TEST(AnalyticalExamples, TunnelingSuperStiffButAnalytical)
+{
+  /*
+   * A1 -> B, k1
+   * A2 -> B, k1
+   * A1 -> A2, k3 >>> k1
+   * A2 -> A1, k4 >>> k1
+   * B -> C, k2
+   *
+   */
+
+  auto a1 = micm::Species("A1");
+  auto a2 = micm::Species("A2");
+  auto b = micm::Species("B");
+  auto c = micm::Species("C");
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ a1, a2, b, c } };
+
+  micm::Process r1 = micm::Process::create()
+                         .reactants({ a1 })
+                         .products({ yields(b, 1) })
+                         .rate_constant(micm::TunnelingRateConstant({ .A_ = 4.0e-3 }))
+                         .phase(gas_phase);
+
+  micm::Process r2 = micm::Process::create()
+                         .reactants({ a2 })
+                         .products({ yields(b, 1) })
+                         .rate_constant(micm::TunnelingRateConstant({ .A_ = 4.0e-3 }))
+                         .phase(gas_phase);
+
+  micm::Process r3 = micm::Process::create()
+                         .reactants({ b })
+                         .products({ yields(c, 1) })
+                         .rate_constant(micm::TunnelingRateConstant({ .A_ = 1.2e-4, .B_ = 167, .C_ = 1.0e8 }))
+                         .phase(gas_phase);
+
+  micm::Process r4 = micm::Process::create()
+                         .reactants({ a1 })
+                         .products({ yields(a2, 1) })
+                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 4.0e10 }))
+                         .phase(gas_phase);
+
+  micm::Process r5 = micm::Process::create()
+                         .reactants({ a2 })
+                         .products({ yields(a1, 1) })
+                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 0.9 * 4.0e10 }))
+                         .phase(gas_phase);
+
+  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
+    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+    std::vector<micm::Process>{ r1, r2, r3, r4, r5 },
+    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+  };
+
+  double temperature = 272.5;
+  double pressure = 101253.3;
+  double air_density = 1e6;
+
+  // A->B reaction rate
+  double k1 = 4.0e-3;
+
+  // B->C reaction rate
+  double k2 = 1.2e-4 * std::exp(-167 / temperature + 1.0e8 / std::pow(temperature, 3));
+
+  double time_step = 1.0;
+  micm::State<micm::Matrix> state = solver.GetState();
+
+  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(4));
+  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
+
+  state.SetConcentration(a1, 0.5);
+  state.SetConcentration(a2, 0.5);
+  state.SetConcentration(b, 0.0);
+  state.SetConcentration(c, 0.0);
+
+  model_concentrations[0] = state.variables_[0];
+  analytical_concentrations[0] = { 1, 0, 0 };
+
+  state.variables_[0] = model_concentrations[0];
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.conditions_[0].air_density_ = air_density;
+
+  size_t idx_A = 0, idx_B = 1, idx_C = 2;
+
+  std::vector<double> times;
+  times.push_back(0);
+  for (size_t i_time = 1; i_time < nsteps; ++i_time)
+  {
+    times.push_back(time_step);
+    // Model results
+    auto result = solver.Solve(time_step, state);
+    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
+    model_concentrations[i_time] = result.result_.AsVector();
+    state.variables_[0] = result.result_.AsVector();
+
+    // Analytical results
+    double time = i_time * time_step;
+
+    double initial_A = analytical_concentrations[0][idx_A];
+    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
+    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
+
+    analytical_concentrations[i_time][idx_C] =
+        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
+  }
+
+  auto header = state.variable_names_;
+  header.insert(header.begin(), "time");
+  writeCSV("stiff_model_concentrations.csv", header, model_concentrations, times);
+
+  auto map = state.variable_map_;
+
+  size_t _a1 = map.at("A1");
+  size_t _a2 = map.at("A2");
+  size_t _b = map.at("B");
+  size_t _c = map.at("C");
+
+  for (size_t i = 0; i < model_concentrations.size(); ++i)
+  {
+    EXPECT_NEAR(model_concentrations[i][_a1] + model_concentrations[i][_a2], analytical_concentrations[i][0], 1e-4)
+        << "Arrays differ at index (" << i << ", " << 0 << ")";
+    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-4)
+        << "Arrays differ at index (" << i << ", " << 1 << ")";
+    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-4)
+        << "Arrays differ at index (" << i << ", " << 2 << ")";
+  }
+}
+
+TEST(AnalyticalExamples, Arrhenius)
+{
+  /*
+   * A -> B, k1
+   * B -> C, k2
+   *
+   */
+
+  auto a = micm::Species("A");
+  auto b = micm::Species("B");
+  auto c = micm::Species("C");
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ a, b, c } };
+
+  micm::Process r1 = micm::Process::create()
+                         .reactants({ a })
+                         .products({ yields(b, 1) })
+                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 4.0e-3, .C_ = 50 }))
+                         .phase(gas_phase);
+
+  micm::Process r2 =
+      micm::Process::create()
+          .reactants({ b })
+          .products({ yields(c, 1) })
+          .rate_constant(micm::ArrheniusRateConstant({ .A_ = 1.2e-4, .B_ = 7, .C_ = 75, .D_ = 50, .E_ = 0.5 }))
+          .phase(gas_phase);
+
+  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
+    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+    std::vector<micm::Process>{ r1, r2 },
+    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+  };
+
+  double temperature = 272.5;
+  double pressure = 101253.3;
+  double air_density = 1e6;
+
+  // A->B reaction rate
+  double k1 = 4.0e-3 * std::exp(50 / temperature);
+
+  // B->C reaction rate
+  double k2 = 1.2e-4 * std::exp(75 / temperature) * std::pow(temperature / 50, 7) * (1.0 + 0.5 * pressure);
+
+  double time_step = 1.0;
+  micm::State<micm::Matrix> state = solver.GetState();
+
+  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(3));
+  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
+
+  model_concentrations[0] = { 1, 0, 0 };
+  analytical_concentrations[0] = { 1, 0, 0 };
+
+  state.variables_[0] = model_concentrations[0];
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.conditions_[0].air_density_ = air_density;
+
+  size_t idx_A = 0, idx_B = 1, idx_C = 2;
+
+  std::vector<double> times;
+  times.push_back(0);
+  for (size_t i_time = 1; i_time < nsteps; ++i_time)
+  {
+    times.push_back(time_step);
+    // Model results
+    auto result = solver.Solve(time_step, state);
+    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
+    EXPECT_NEAR(k1, state.rate_constants_.AsVector()[0], 1e-8);
+    EXPECT_NEAR(k2, state.rate_constants_.AsVector()[1], 1e-8);
+    model_concentrations[i_time] = result.result_.AsVector();
+    state.variables_[0] = result.result_.AsVector();
+
+    // Analytical results
+    double time = i_time * time_step;
+
+    double initial_A = analytical_concentrations[0][idx_A];
+    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
+    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
+
+    analytical_concentrations[i_time][idx_C] =
+        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
+  }
+
+  std::vector<std::string> header = { "time", "A", "B", "C" };
+  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, times);
+  writeCSV("model_concentrations.csv", header, model_concentrations, times);
+
+  auto map = state.variable_map_;
+
+  size_t _a = map.at("A");
+  size_t _b = map.at("B");
+  size_t _c = map.at("C");
+
+  for (size_t i = 0; i < model_concentrations.size(); ++i)
+  {
+    EXPECT_NEAR(model_concentrations[i][_a], analytical_concentrations[i][0], 1e-8)
+        << "Arrays differ at index (" << i << ", " << 0 << ")";
+    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-8)
+        << "Arrays differ at index (" << i << ", " << 1 << ")";
+    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-8)
+        << "Arrays differ at index (" << i << ", " << 2 << ")";
+  }
+}
+
+TEST(AnalyticalExamples, ArrheniusSuperStiffButAnalytical)
+{
+  /*
+   * A1 -> B, k1
+   * A2 -> B, k1
+   * A1 -> A2, k3 >>> k1
+   * A2 -> A1, k4 >>> k1
+   * B -> C, k2
+   *
+   */
+
+  auto a1 = micm::Species("A1");
+  auto a2 = micm::Species("A2");
+  auto b = micm::Species("B");
+  auto c = micm::Species("C");
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ a1, a2, b, c } };
+
+  micm::Process r1 = micm::Process::create()
+                         .reactants({ a1 })
+                         .products({ yields(b, 1) })
+                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 4.0e-3, .C_ = 50 }))
+                         .phase(gas_phase);
+
+  micm::Process r2 = micm::Process::create()
+                         .reactants({ a2 })
+                         .products({ yields(b, 1) })
+                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 4.0e-3, .C_ = 50 }))
+                         .phase(gas_phase);
+
+  micm::Process r3 =
+      micm::Process::create()
+          .reactants({ b })
+          .products({ yields(c, 1) })
+          .rate_constant(micm::ArrheniusRateConstant({ .A_ = 1.2e-4, .B_ = 167, .C_ = 75, .D_ = 50, .E_ = 0.5 }))
+          .phase(gas_phase);
+
+  micm::Process r4 = micm::Process::create()
+                         .reactants({ a1 })
+                         .products({ yields(a2, 1) })
+                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 4.0e10 }))
+                         .phase(gas_phase);
+
+  micm::Process r5 = micm::Process::create()
+                         .reactants({ a2 })
+                         .products({ yields(a1, 1) })
+                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 0.9 * 4.0e10 }))
+                         .phase(gas_phase);
+
+  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
+    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+    std::vector<micm::Process>{ r1, r2, r3, r4, r5 },
+    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+  };
+
+  double temperature = 272.5;
+  double pressure = 101253.3;
+  double air_density = 1e6;
+
+  // A->B reaction rate
+  double k1 = 4.0e-3 * std::exp(50 / temperature);
+
+  // B->C reaction rate
+  double k2 = 1.2e-4 * std::exp(75 / temperature) * std::pow(temperature / 50, 167) * (1.0 + 0.5 * pressure);
+
+  double time_step = 1.0;
+  micm::State<micm::Matrix> state = solver.GetState();
+
+  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(4));
+  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
+
+  state.SetConcentration(a1, 0.5);
+  state.SetConcentration(a2, 0.5);
+  state.SetConcentration(b, 0.0);
+  state.SetConcentration(c, 0.0);
+
+  model_concentrations[0] = state.variables_[0];
+  analytical_concentrations[0] = { 1, 0, 0 };
+
+  state.variables_[0] = model_concentrations[0];
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.conditions_[0].air_density_ = air_density;
+
+  size_t idx_A = 0, idx_B = 1, idx_C = 2;
+
+  std::vector<double> times;
+  times.push_back(0);
+  for (size_t i_time = 1; i_time < nsteps; ++i_time)
+  {
+    times.push_back(time_step);
+    // Model results
+    auto result = solver.Solve(time_step, state);
+    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
+    model_concentrations[i_time] = result.result_.AsVector();
+    state.variables_[0] = result.result_.AsVector();
+
+    // Analytical results
+    double time = i_time * time_step;
+
+    double initial_A = analytical_concentrations[0][idx_A];
+    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
+    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
+
+    analytical_concentrations[i_time][idx_C] =
+        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
+  }
+
+  auto header = state.variable_names_;
+  header.insert(header.begin(), "time");
+  writeCSV("stiff_model_concentrations.csv", header, model_concentrations, times);
+
+  auto map = state.variable_map_;
+
+  size_t _a1 = map.at("A1");
+  size_t _a2 = map.at("A2");
+  size_t _b = map.at("B");
+  size_t _c = map.at("C");
+
+  for (size_t i = 0; i < model_concentrations.size(); ++i)
+  {
+    EXPECT_NEAR(model_concentrations[i][_a1] + model_concentrations[i][_a2], analytical_concentrations[i][0], 1e-4)
+        << "Arrays differ at index (" << i << ", " << 0 << ")";
+    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-4)
+        << "Arrays differ at index (" << i << ", " << 1 << ")";
+    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-4)
+        << "Arrays differ at index (" << i << ", " << 2 << ")";
+  }
+}
+
+TEST(AnalyticalExamples, Branched)
+{
+  /*
+   * A -> B, k1
+   * B -> C, k2
+   *
+   * Copying the CAMP example: https://github.com/open-atmos/camp/blob/main/test/unit_rxn_data/test_rxn_wennberg_no_ro2.F90
+   */
+
+  auto a = micm::Species("A");
+  auto b = micm::Species("B");
+  auto c = micm::Species("C");
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ a, b, c } };
+
+  micm::Process r1 =
+      micm::Process::create()
+          .reactants({ a })
+          .products({ yields(b, 1) })
+          .rate_constant(micm::BranchedRateConstant({ .branch_ = micm::BranchedRateConstantParameters::Branch::Alkoxy,
+                                                      .X_ = 1.2,
+                                                      .Y_ = 204.3,
+                                                      .a0_ = 1.0e-3,
+                                                      .n_ = 2 }))
+          .phase(gas_phase);
+
+  micm::Process r2 =
+      micm::Process::create()
+          .reactants({ b })
+          .products({ yields(c, 1) })
+          .rate_constant(micm::BranchedRateConstant({ .branch_ = micm::BranchedRateConstantParameters::Branch::Nitrate,
+                                                      .X_ = 1.2,
+                                                      .Y_ = 204.3,
+                                                      .a0_ = 1.0e-3,
+                                                      .n_ = 2 }))
+          .phase(gas_phase);
+
+  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
+    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+    std::vector<micm::Process>{ r1, r2 },
+    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+  };
+
+  double temperature = 272.5;
+  double pressure = 101253.3;
+  double air_density = 1e6;
+
+  // A->B reaction rate
+  double air_dens_n_cm3 = air_density * AVOGADRO_CONSTANT * 1.0e-6;
+  double a_ = 2.0e-22 * std::exp(2) * 2.45e19;
+  double b_ = 0.43 * std::pow((293.0 / 298.0), -8.0);
+  double z = a_ / (1.0 + a_ / b_) * std::pow(0.41, 1.0 / (1.0 + std::pow(std::log10(a_ / b_), 2))) * (1.0 - 1.0e-3) / 1.0e-3;
+  a_ = 2.0e-22 * std::exp(2) * air_dens_n_cm3;
+  b_ = 0.43 * std::pow((temperature / 298.0), -8.0);
+  double A = a_ / (1.0 + a_ / b_) * std::pow(0.41, 1.0 / (1.0 + std::pow(std::log10(a_ / b_), 2)));
+
+  double k1 = 1.2 * std::exp(-204.3 / temperature) * (z / (z + A));
+
+  // B->C reaction rate
+  a_ = 2.0e-22 * std::exp(2) * 2.45e19;
+  b_ = 0.43 * std::pow((293.0 / 298.0), -8.0);
+  z = a_ / (1.0 + a_ / b_) * std::pow(0.41, 1.0 / (1.0 + std::pow(std::log10(a_ / b_), 2))) * (1.0 - 1.0e-3) / 1.0e-3;
+  a_ = 2.0e-22 * std::exp(2) * air_dens_n_cm3;
+  b_ = 0.43 * std::pow((temperature / 298.0), -8.0);
+  A = a_ / (1.0 + a_ / b_) * std::pow(0.41, 1.0 / (1.0 + std::pow(std::log10(a_ / b_), 2)));
+
+  double k2 = 1.2 * std::exp(-204.3 / temperature) * (A / (z + A));
+
+  double time_step = 1.0;
+  micm::State<micm::Matrix> state = solver.GetState();
+
+  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(3));
+  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
+
+  model_concentrations[0] = { 1, 0, 0 };
+  analytical_concentrations[0] = { 1, 0, 0 };
+
+  state.variables_[0] = model_concentrations[0];
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.conditions_[0].air_density_ = air_density;
+
+  size_t idx_A = 0, idx_B = 1, idx_C = 2;
+
+  std::vector<double> times;
+  times.push_back(0);
+  for (size_t i_time = 1; i_time < nsteps; ++i_time)
+  {
+    times.push_back(time_step);
+    // Model results
+    auto result = solver.Solve(time_step, state);
+    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
+    EXPECT_NEAR(k1, state.rate_constants_.AsVector()[0], 1e-8);
+    EXPECT_NEAR(k2, state.rate_constants_.AsVector()[1], 1e-8);
+    model_concentrations[i_time] = result.result_.AsVector();
+    state.variables_[0] = result.result_.AsVector();
+
+    // Analytical results
+    double time = i_time * time_step;
+
+    double initial_A = analytical_concentrations[0][idx_A];
+    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
+    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
+
+    analytical_concentrations[i_time][idx_C] =
+        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
+  }
+
+  std::vector<std::string> header = { "time", "A", "B", "C" };
+  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, times);
+  writeCSV("model_concentrations.csv", header, model_concentrations, times);
+
+  auto map = state.variable_map_;
+
+  size_t _a = map.at("A");
+  size_t _b = map.at("B");
+  size_t _c = map.at("C");
+
+  for (size_t i = 0; i < model_concentrations.size(); ++i)
+  {
+    EXPECT_NEAR(model_concentrations[i][_a], analytical_concentrations[i][0], 1e-3)
+        << "Arrays differ at index (" << i << ", " << 0 << ")";
+    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-3)
+        << "Arrays differ at index (" << i << ", " << 1 << ")";
+    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-3)
+        << "Arrays differ at index (" << i << ", " << 2 << ")";
+  }
+}
+
+TEST(AnalyticalExamples, BranchedSuperStiffButAnalytical)
+{
+  /*
+   * A1 -> B, k1
+   * A2 -> B, k1
+   * A1 -> A2, k3 >>> k1
+   * A2 -> A1, k4 >>> k1
+   * B -> C, k2
+   *
+   */
+
+  auto a1 = micm::Species("A1");
+  auto a2 = micm::Species("A2");
+  auto b = micm::Species("B");
+  auto c = micm::Species("C");
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ a1, a2, b, c } };
+
+  micm::Process r1 =
+      micm::Process::create()
+          .reactants({ a1 })
+          .products({ yields(b, 1) })
+          .rate_constant(micm::BranchedRateConstant({ .branch_ = micm::BranchedRateConstantParameters::Branch::Alkoxy,
+                                                      .X_ = 1.2,
+                                                      .Y_ = 204.3,
+                                                      .a0_ = 1.0e-3,
+                                                      .n_ = 2 }))
+          .phase(gas_phase);
+
+  micm::Process r2 =
+      micm::Process::create()
+          .reactants({ a2 })
+          .products({ yields(b, 1) })
+          .rate_constant(micm::BranchedRateConstant({ .branch_ = micm::BranchedRateConstantParameters::Branch::Alkoxy,
+                                                      .X_ = 1.2,
+                                                      .Y_ = 204.3,
+                                                      .a0_ = 1.0e-3,
+                                                      .n_ = 2 }))
+          .phase(gas_phase);
+
+  micm::Process r3 =
+      micm::Process::create()
+          .reactants({ b })
+          .products({ yields(c, 1) })
+          .rate_constant(micm::BranchedRateConstant({ .branch_ = micm::BranchedRateConstantParameters::Branch::Nitrate,
+                                                      .X_ = 1.2,
+                                                      .Y_ = 204.3,
+                                                      .a0_ = 1.0e-3,
+                                                      .n_ = 2 }))
+          .phase(gas_phase);
+
+  micm::Process r4 = micm::Process::create()
+                         .reactants({ a1 })
+                         .products({ yields(a2, 1) })
+                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 4.0e10 }))
+                         .phase(gas_phase);
+
+  micm::Process r5 = micm::Process::create()
+                         .reactants({ a2 })
+                         .products({ yields(a1, 1) })
+                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 0.9 * 4.0e10 }))
+                         .phase(gas_phase);
+
+  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
+    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+    std::vector<micm::Process>{ r1, r2, r3, r4, r5 },
+    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+  };
+
+  double temperature = 272.5;
+  double pressure = 101253.3;
+  double air_density = 1e6;
+
+  // A->B reaction rate
+  double air_dens_n_cm3 = air_density * AVOGADRO_CONSTANT * 1.0e-6;
+  double a_ = 2.0e-22 * std::exp(2) * 2.45e19;
+  double b_ = 0.43 * std::pow((293.0 / 298.0), -8.0);
+  double z = a_ / (1.0 + a_ / b_) * std::pow(0.41, 1.0 / (1.0 + std::pow(std::log10(a_ / b_), 2))) * (1.0 - 1.0e-3) / 1.0e-3;
+  a_ = 2.0e-22 * std::exp(2) * air_dens_n_cm3;
+  b_ = 0.43 * std::pow((temperature / 298.0), -8.0);
+  double A = a_ / (1.0 + a_ / b_) * std::pow(0.41, 1.0 / (1.0 + std::pow(std::log10(a_ / b_), 2)));
+
+  double k1 = 1.2 * std::exp(-204.3 / temperature) * (z / (z + A));
+
+  // B->C reaction rate
+  a_ = 2.0e-22 * std::exp(2) * 2.45e19;
+  b_ = 0.43 * std::pow((293.0 / 298.0), -8.0);
+  z = a_ / (1.0 + a_ / b_) * std::pow(0.41, 1.0 / (1.0 + std::pow(std::log10(a_ / b_), 2))) * (1.0 - 1.0e-3) / 1.0e-3;
+  a_ = 2.0e-22 * std::exp(2) * air_dens_n_cm3;
+  b_ = 0.43 * std::pow((temperature / 298.0), -8.0);
+  A = a_ / (1.0 + a_ / b_) * std::pow(0.41, 1.0 / (1.0 + std::pow(std::log10(a_ / b_), 2)));
+
+  double k2 = 1.2 * std::exp(-204.3 / temperature) * (A / (z + A));
+
+  double time_step = 1.0;
+  micm::State<micm::Matrix> state = solver.GetState();
+
+  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(4));
+  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
+
+  state.SetConcentration(a1, 0.5);
+  state.SetConcentration(a2, 0.5);
+  state.SetConcentration(b, 0.0);
+  state.SetConcentration(c, 0.0);
+
+  model_concentrations[0] = state.variables_[0];
+  analytical_concentrations[0] = { 1, 0, 0 };
+
+  state.variables_[0] = model_concentrations[0];
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.conditions_[0].air_density_ = air_density;
+
+  size_t idx_A = 0, idx_B = 1, idx_C = 2;
+
+  std::vector<double> times;
+  times.push_back(0);
+  for (size_t i_time = 1; i_time < nsteps; ++i_time)
+  {
+    times.push_back(time_step);
+    // Model results
+    auto result = solver.Solve(time_step, state);
+    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
+    model_concentrations[i_time] = result.result_.AsVector();
+    state.variables_[0] = result.result_.AsVector();
+
+    // Analytical results
+    double time = i_time * time_step;
+
+    double initial_A = analytical_concentrations[0][idx_A];
+    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
+    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
+
+    analytical_concentrations[i_time][idx_C] =
+        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
+  }
+
+  auto header = state.variable_names_;
+  header.insert(header.begin(), "time");
+  writeCSV("stiff_model_concentrations.csv", header, model_concentrations, times);
+
+  auto map = state.variable_map_;
+
+  size_t _a1 = map.at("A1");
+  size_t _a2 = map.at("A2");
+  size_t _b = map.at("B");
+  size_t _c = map.at("C");
+
+  for (size_t i = 0; i < model_concentrations.size(); ++i)
+  {
+    EXPECT_NEAR(model_concentrations[i][_a1] + model_concentrations[i][_a2], analytical_concentrations[i][0], 1e-3)
+        << "Arrays differ at index (" << i << ", " << 0 << ")";
+    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-3)
+        << "Arrays differ at index (" << i << ", " << 1 << ")";
+    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-3)
+        << "Arrays differ at index (" << i << ", " << 2 << ")";
+  }
+}
+
+TEST(AnalyticalExamples, Robertson)
+{
+  /*
+   * A -> B, k1 = 0.04
+   * B + B -> C + B, k2 = 3e7
+   * B + C -> A + C, k3 = 1e4
+   *
+   * this problem is described in
+   * Hairer, E., Wanner, G., 1996. Solving Ordinary Differential Equations II: Stiff and Differential-Algebraic Problems, 2nd
+   * edition. ed. Springer, Berlin ; New York. Page 3
+   *
+   * solutions are provided here
+   * https://www.unige.ch/~hairer/testset/testset.html
+   */
+
+  auto a = micm::Species("A");
+  auto b = micm::Species("B");
+  auto c = micm::Species("C");
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ a, b, c } };
+
+  micm::Process r1 = micm::Process::create()
+                         .reactants({ a })
+                         .products({ yields(b, 1) })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r1" }))
+                         .phase(gas_phase);
+
+  micm::Process r2 = micm::Process::create()
+                         .reactants({ b, b })
+                         .products({ yields(b, 1), yields(c, 1) })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r2" }))
+                         .phase(gas_phase);
+
+  micm::Process r3 = micm::Process::create()
+                         .reactants({ b, c })
+                         .products({ yields(a, 1), yields(c, 1) })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r3" }))
+                         .phase(gas_phase);
+
+  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
+    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+    std::vector<micm::Process>{ r1, r2, r3 },
+    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+  };
+
+  double temperature = 272.5;
+  double pressure = 101253.3;
+  double air_density = 1e6;
+
+  micm::State<micm::Matrix> state = solver.GetState();
+
+  double k1 = 0.04;
+  double k2 = 3e7;
+  double k3 = 1e4;
+
+  state.SetCustomRateParameter("r1", k1);
+  state.SetCustomRateParameter("r2", k2);
+  state.SetCustomRateParameter("r3", k3);
+
+  constexpr size_t N = 12;
+
+  std::vector<std::vector<double>> model_concentrations(N + 1, std::vector<double>(3));
+  std::vector<std::vector<double>> analytical_concentrations(N + 1, std::vector<double>(3));
+
+  model_concentrations[0] = { 1, 0, 0 };
+
+  analytical_concentrations = { { 1, 0, 0 },
+                                { 0.9664597373330035E+00, 0.3074626578578675E-04, 0.3350951640121071E-01 },
+                                { 0.8413699238414729E+00, 0.1623390937990473E-04, 0.1586138422491472E+00 },
+                                { 0.6172348823960878E+00, 0.6153591274639123E-05, 0.3827589640126376E+00 },
+                                { 0.3368745306607069E+00, 0.2013702318261393E-05, 0.6631234556369748E+00 },
+                                { 0.1073004285378040E+00, 0.4800166972571660E-06, 0.8926990914454987E+00 },
+                                { 0.1786592114209946E-01, 0.7274751468436319E-07, 0.9821340061103859E+00 },
+                                { 0.2031483924973415E-02, 0.8142277783356159E-08, 0.9979685079327488E+00 },
+                                { 0.2076093439016395E-03, 0.8306077485067610E-09, 0.9997923898254906E+00 },
+                                { 0.2082417512179460E-04, 0.8329841429908955E-10, 0.9999791757415798E+00 },
+                                { 0.2083229471647004E-05, 0.8332935037760723E-11, 0.9999979167621954E+00 },
+                                { 0.2083328471883087E-06, 0.8333315602809495E-12, 0.9999997916663195E+00 },
+                                { 0.2083340149701284E-07, 0.8333360770334744E-13, 0.9999999791665152E+00 } };
+
+  state.variables_[0] = model_concentrations[0];
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.conditions_[0].air_density_ = air_density;
+
+  double time_step = 1.0;
+  std::vector<double> times;
+  times.push_back(0);
+  for (size_t i_time = 0; i_time < N; ++i_time)
+  {
+    double solve_time = time_step + i_time * time_step;
+    times.push_back(solve_time);
+    // Model results
+    double actual_solve = 0;
+    while (actual_solve < time_step)
+    {
+      auto result = solver.Solve(time_step - actual_solve, state);
+      state.variables_[0] = result.result_.AsVector();
+      actual_solve += result.final_time_;
+    }
+    model_concentrations[i_time + 1] = state.variables_[0];
+    time_step *= 10;
+  }
+
+  std::vector<std::string> header = { "time", "A", "B", "C" };
+  writeCSV("model_concentrations.csv", header, model_concentrations, times);
+  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, times);
+
+  auto map = state.variable_map_;
+
+  size_t _a = map.at("A");
+  size_t _b = map.at("B");
+  size_t _c = map.at("C");
+
+  double tol = 1e-1;
+  for (size_t i = 0; i < model_concentrations.size(); ++i)
+  {
+    EXPECT_NEAR(model_concentrations[i][_a], analytical_concentrations[i][0], tol)
+        << "Arrays differ at index (" << i << ", " << 0 << ")";
+    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], tol)
+        << "Arrays differ at index (" << i << ", " << 1 << ")";
+    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], tol)
+        << "Arrays differ at index (" << i << ", " << 2 << ")";
+  }
+}
+
+TEST(AnalyticalExamples, Oregonator)
+{
+  /*
+   * I think these are the equations, but I'm really not sure. I don't know how this translates to the jacobian
+   * and forcing functions used by the ODE book: https://www.unige.ch/~hairer/testset/stiff/orego/equation.f
+   * A+Y -> X+P
+   * X+Y -> 2P
+   * A+X -> 2X+2Z
+   * 2X -> A+P
+   * B+Z -> 1/2fY
+   *
+   * this problem is described in
+   * Hairer, E., Wanner, G., 1996. Solving Ordinary Differential Equations II: Stiff and Differential-Algebraic Problems, 2nd
+   * edition. ed. Springer, Berlin ; New York. Page 3
+   *
+   * solutions are provided here
+   * https://www.unige.ch/~hairer/testset/testset.html
+   */
+
+  auto a = micm::Species("A");
+  auto b = micm::Species("B");
+  auto c = micm::Species("C");
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ a, b, c } };
+
+  micm::Process r1 = micm::Process::create()
+                         .reactants({ a })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r1" }))
+                         .phase(gas_phase);
+
+  micm::Process r2 = micm::Process::create()
+                         .reactants({ b })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r2" }))
+                         .phase(gas_phase);
+
+  micm::Process r3 = micm::Process::create()
+                         .reactants({ b })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r3" }))
+                         .phase(gas_phase);
+
+  auto params = micm::RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters();
+  params.relative_tolerance_ = 1e-4;
+  params.absolute_tolerance_ = 1e-6 * params.relative_tolerance_;
+  Oregonator<micm::Matrix, SparseMatrixTest> solver(
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::vector<micm::Process>{ r1, r2, r3 }, params);
+
+  double end = 360;
+  double time_step = 30;
+  size_t N = static_cast<size_t>(end / time_step);
+
+  std::vector<std::vector<double>> model_concentrations(N + 1, std::vector<double>(3));
+  std::vector<std::vector<double>> analytical_concentrations(13, std::vector<double>(3));
+
+  model_concentrations[0] = { 1, 2, 3 };
+
+  analytical_concentrations = {
+    { 1, 2, 3 },
+    { 0.1000661467180497E+01, 0.1512778937348249E+04, 0.1035854312767229E+05 },
+    { 0.1000874625199626E+01, 0.1144336972384497E+04, 0.8372149966624639E+02 },
+    { 0.1001890368438751E+01, 0.5299926232295553E+03, 0.1662279579042420E+01 },
+    { 0.1004118022612645E+01, 0.2438326079910346E+03, 0.1008822224048647E+01 },
+    { 0.1008995416634061E+01, 0.1121664388662539E+03, 0.1007783229065319E+01 },
+    { 0.1019763472537298E+01, 0.5159761322947535E+02, 0.1016985778956374E+01 },
+    { 0.1043985088527474E+01, 0.2373442027531524E+02, 0.1037691843544522E+01 },
+    { 0.1100849071667922E+01, 0.1091533805469020E+02, 0.1085831969810860E+01 },
+    { 0.1249102130020572E+01, 0.5013945178605446E+01, 0.1208326626237875E+01 },
+    { 0.1779724751937019E+01, 0.2281852385542403E+01, 0.1613754023671725E+01 },
+    { 0.1000889326903503E+01, 0.1125438585746596E+04, 0.1641049483777168E+05 },
+    { 0.1000814870318523E+01, 0.1228178521549889E+04, 0.1320554942846513E+03 },
+  };
+
+  micm::State<micm::Matrix> state = solver.GetState();
+
+  state.variables_[0] = model_concentrations[0];
+
+  std::vector<double> times;
+  times.push_back(0);
+  for (size_t i_time = 0; i_time < N; ++i_time)
+  {
+    double solve_time = time_step + i_time * time_step;
+    times.push_back(solve_time);
+    // Model results
+    double actual_solve = 0;
+    while (actual_solve < time_step)
+    {
+      auto result = solver.Solve(time_step - actual_solve, state);
+      state.variables_[0] = result.result_.AsVector();
+      actual_solve += result.final_time_;
+    }
+    model_concentrations[i_time + 1] = state.variables_[0];
+  }
+
+  std::vector<std::string> header = { "time", "A", "B", "C" };
+  writeCSV("model_concentrations.csv", header, model_concentrations, times);
+  std::vector<double> an_times;
+  an_times.push_back(0);
+  for (int i = 1; i <= 12; ++i)
+  {
+    an_times.push_back(30 * i);
+  }
+  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, an_times);
+
+  auto map = state.variable_map_;
+
+  size_t _a = map.at("A");
+  size_t _b = map.at("B");
+  size_t _c = map.at("C");
+
+  double tol = 1e-3;
+  for (size_t i = 0; i < model_concentrations.size(); ++i)
+  {
+    double rel_diff = relative_difference(model_concentrations[i][_a], analytical_concentrations[i][0]);
+    EXPECT_TRUE(rel_diff < tol) << "Arrays differ at index (" << i << ", " << 0 << ")";
+    rel_diff = relative_difference(model_concentrations[i][_b], analytical_concentrations[i][1]);
+    EXPECT_TRUE(rel_diff < tol) << "Arrays differ at index (" << i << ", " << 1 << ")";
+    rel_diff = relative_difference(model_concentrations[i][_c], analytical_concentrations[i][2]);
+    EXPECT_TRUE(rel_diff < tol) << "Arrays differ at index (" << i << ", " << 2 << ")";
+  }
+}
+
+TEST(AnalyticalExamples, Oregonator2)
+{
+  /* Equations derived from the forcing function here: https://www.unige.ch/~hairer/testset/stiff/orego/equation.f
+   * a + b -> ( 1 - (1/77.27)^2 ) b    k = 77.27
+   * c -> ( 1 / (0.161 * 77.27) ) b    k = 0.161
+   * b -> ( 77.27 )^2 a                k = 1/77.27
+   * a -> 2 a + ( 0.161/77.27 ) c      k = 77.27
+   * a + a -> NULL                     k = 77.27 * 8.375e-6
+   *
+   * this problem is described in
+   * Hairer, E., Wanner, G., 1996. Solving Ordinary Differential Equations II: Stiff and Differential-Algebraic Problems, 2nd
+   * edition. ed. Springer, Berlin ; New York. Page 3
+   *
+   * solutions are provided here
+   * https://www.unige.ch/~hairer/testset/testset.html
+   */
+
+  auto a = micm::Species("A");
+  auto b = micm::Species("B");
+  auto c = micm::Species("C");
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ a, b, c } };
+
+  micm::Process r1 = micm::Process::create()
+                         .reactants({ a, b })
+                         .products({ yields(b, 1 - std::pow((1 / 77.27), 2)) })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r1" }))
+                         .phase(gas_phase);
+
+  micm::Process r2 = micm::Process::create()
+                         .reactants({ c })
+                         .products({ yields(b, 1 / (0.161 * 77.27)) })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r2" }))
+                         .phase(gas_phase);
+
+  micm::Process r3 = micm::Process::create()
+                         .reactants({ b })
+                         .products({ yields(a, std::pow(77.27, 2)) })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r3" }))
+                         .phase(gas_phase);
+
+  micm::Process r4 = micm::Process::create()
+                         .reactants({ a })
+                         .products({ yields(a, 2), yields(c, 0.161 / 77.27) })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r4" }))
+                         .phase(gas_phase);
+
+  micm::Process r5 = micm::Process::create()
+                         .reactants({ a, a })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r5" }))
+                         .phase(gas_phase);
+
+  auto params = micm::RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters();
+  params.relative_tolerance_ = 1e-4;
+  params.absolute_tolerance_ = 1e-6 * params.relative_tolerance_;
+  Oregonator<micm::Matrix, SparseMatrixTest> solver(
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+      std::vector<micm::Process>{ r1, r2, r3, r4, r5 },
+      params);
+
+  double end = 360;
+  double time_step = 30;
+  size_t N = static_cast<size_t>(end / time_step);
+
+  std::vector<std::vector<double>> model_concentrations(N + 1, std::vector<double>(3));
+  std::vector<std::vector<double>> analytical_concentrations(13, std::vector<double>(3));
+
+  model_concentrations[0] = { 1, 2, 3 };
+
+  analytical_concentrations = {
+    { 1, 2, 3 },
+    { 0.1000661467180497E+01, 0.1512778937348249E+04, 0.1035854312767229E+05 },
+    { 0.1000874625199626E+01, 0.1144336972384497E+04, 0.8372149966624639E+02 },
+    { 0.1001890368438751E+01, 0.5299926232295553E+03, 0.1662279579042420E+01 },
+    { 0.1004118022612645E+01, 0.2438326079910346E+03, 0.1008822224048647E+01 },
+    { 0.1008995416634061E+01, 0.1121664388662539E+03, 0.1007783229065319E+01 },
+    { 0.1019763472537298E+01, 0.5159761322947535E+02, 0.1016985778956374E+01 },
+    { 0.1043985088527474E+01, 0.2373442027531524E+02, 0.1037691843544522E+01 },
+    { 0.1100849071667922E+01, 0.1091533805469020E+02, 0.1085831969810860E+01 },
+    { 0.1249102130020572E+01, 0.5013945178605446E+01, 0.1208326626237875E+01 },
+    { 0.1779724751937019E+01, 0.2281852385542403E+01, 0.1613754023671725E+01 },
+    { 0.1000889326903503E+01, 0.1125438585746596E+04, 0.1641049483777168E+05 },
+    { 0.1000814870318523E+01, 0.1228178521549889E+04, 0.1320554942846513E+03 },
+  };
+
+  micm::State<micm::Matrix> state = solver.GetState();
+
+  double k1 = 77.27;
+  double k2 = 0.161;
+  double k3 = 1 / 77.27;
+  double k4 = 77.27;
+  double k5 = 77.27 * 8.375e-6;
+
+  state.SetCustomRateParameter("r1", k1);
+  state.SetCustomRateParameter("r2", k2);
+  state.SetCustomRateParameter("r3", k3);
+  state.SetCustomRateParameter("r4", k4);
+  state.SetCustomRateParameter("r5", k5);
+
+  state.variables_[0] = model_concentrations[0];
+
+  std::vector<double> times;
+  times.push_back(0);
+  for (size_t i_time = 0; i_time < N; ++i_time)
+  {
+    double solve_time = time_step + i_time * time_step;
+    times.push_back(solve_time);
+    // Model results
+    double actual_solve = 0;
+    while (actual_solve < time_step)
+    {
+      auto result = solver.Solve(time_step - actual_solve, state);
+      state.variables_[0] = result.result_.AsVector();
+      actual_solve += result.final_time_;
+    }
+    model_concentrations[i_time + 1] = state.variables_[0];
+  }
+
+  std::vector<std::string> header = { "time", "A", "B", "C" };
+  writeCSV("model_concentrations.csv", header, model_concentrations, times);
+  std::vector<double> an_times;
+  an_times.push_back(0);
+  for (int i = 1; i <= 12; ++i)
+  {
+    an_times.push_back(30 * i);
+  }
+  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, an_times);
+
+  auto map = state.variable_map_;
+
+  size_t _a = map.at("A");
+  size_t _b = map.at("B");
+  size_t _c = map.at("C");
+
+  double tol = 1e-3;
+  for (size_t i = 0; i < model_concentrations.size(); ++i)
+  {
+    double rel_diff = relative_difference(model_concentrations[i][_a], analytical_concentrations[i][0]);
+    EXPECT_TRUE(rel_diff < tol) << "Arrays differ at index (" << i << ", " << 0 << ")";
+    rel_diff = relative_difference(model_concentrations[i][_b], analytical_concentrations[i][1]);
+    EXPECT_TRUE(rel_diff < tol) << "Arrays differ at index (" << i << ", " << 1 << ")";
+    rel_diff = relative_difference(model_concentrations[i][_c], analytical_concentrations[i][2]);
+    EXPECT_TRUE(rel_diff < tol) << "Arrays differ at index (" << i << ", " << 2 << ")";
+  }
+}
+
+TEST(AnalyticalExamples, HIRES)
+{
+  /*
+   * No idea what these equations are
+   *
+   * this problem is described in
+   * Hairer, E., Wanner, G., 1996. Solving Ordinary Differential Equations II: Stiff and Differential-Algebraic Problems, 2nd
+   * edition. ed. Springer, Berlin ; New York. Page 3
+   *
+   * solutions are provided here
+   * https://www.unige.ch/~hairer/testset/testset.html
+   */
+
+  auto y1 = micm::Species("y1");
+  auto y2 = micm::Species("y2");
+  auto y3 = micm::Species("y3");
+  auto y4 = micm::Species("y4");
+  auto y5 = micm::Species("y5");
+  auto y6 = micm::Species("y6");
+  auto y7 = micm::Species("y7");
+  auto y8 = micm::Species("y8");
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ y1, y2, y3, y4, y5, y6, y7, y8 } };
+
+  micm::Process r1 = micm::Process::create()
+                         .reactants({ y1 })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r1" }))
+                         .phase(gas_phase);
+  micm::Process r2 = micm::Process::create()
+                         .reactants({ y2 })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r2" }))
+                         .phase(gas_phase);
+  micm::Process r3 = micm::Process::create()
+                         .reactants({ y3 })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r3" }))
+                         .phase(gas_phase);
+  micm::Process r4 = micm::Process::create()
+                         .reactants({ y4 })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r4" }))
+                         .phase(gas_phase);
+  micm::Process r5 = micm::Process::create()
+                         .reactants({ y5 })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r5" }))
+                         .phase(gas_phase);
+  micm::Process r6 = micm::Process::create()
+                         .reactants({ y6 })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r6" }))
+                         .phase(gas_phase);
+  micm::Process r7 = micm::Process::create()
+                         .reactants({ y7 })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r7" }))
+                         .phase(gas_phase);
+  micm::Process r8 = micm::Process::create()
+                         .reactants({ y8 })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r8" }))
+                         .phase(gas_phase);
+
+  auto params = micm::RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters();
+  params.relative_tolerance_ = 1e-3;
+  params.absolute_tolerance_ = params.relative_tolerance_ * 1e-4;
+  HIRES<micm::Matrix, SparseMatrixTest> solver(
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+      std::vector<micm::Process>{ r1, r2, r3, r4, r5, r6, r7, r8 },
+      params);
+
+  size_t N = 2;
+
+  std::vector<std::vector<double>> model_concentrations(N + 1, std::vector<double>(8));
+  std::vector<std::vector<double>> analytical_concentrations(3, std::vector<double>(8));
+
+  model_concentrations[0] = { 1, 0, 0, 0, 0, 0, 0, 0.0057 };
+
+  analytical_concentrations = {
+    { 1, 0, 0, 0, 0, 0, 0, 0.0057 },
+    { 0.000737131257332567,
+      0.000144248572631618,
+      0.000058887297409676,
+      0.001175651343283149,
+      0.002386356198831330,
+      0.006238968252742796,
+      0.002849998395185769,
+      0.002850001604814231 },
+    { 0.000670305503581864,
+      0.000130996846986347,
+      0.000046862231597733,
+      0.001044668020551705,
+      0.000594883830951485,
+      0.001399628833942774,
+      0.001014492757718480,
+      0.004685507242281520 },
+  };
+
+  micm::State<micm::Matrix> state = solver.GetState();
+
+  state.variables_[0] = model_concentrations[0];
+
+  std::vector<double> times;
+  times.push_back(0);
+  double time_step = 321.8122;
+  for (size_t i_time = 0; i_time < N; ++i_time)
+  {
+    double solve_time = time_step + i_time * time_step;
+    times.push_back(solve_time);
+    // Model results
+    double actual_solve = 0;
+    while (actual_solve < time_step)
+    {
+      auto result = solver.Solve(time_step - actual_solve, state);
+      state.variables_[0] = result.result_.AsVector();
+      actual_solve += result.final_time_;
+    }
+    model_concentrations[i_time + 1] = state.variables_[0];
+    time_step += 100;
+  }
+
+  std::vector<std::string> header = { "time", "y1", "y2", "y3", "y4", "y5", "y6", "y7", "y8" };
+  writeCSV("model_concentrations.csv", header, model_concentrations, times);
+  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, times);
+
+  double tol = 1e-5;
+  for (size_t i = 0; i < model_concentrations.size(); ++i)
+  {
+    for (size_t j = 0; j < model_concentrations[0].size(); ++j)
+    {
+      double rel_diff = relative_difference(model_concentrations[i][j], analytical_concentrations[i][j]);
+      EXPECT_NEAR(model_concentrations[i][j], analytical_concentrations[i][j], tol);
+    }
+  }
+}
+
+TEST(AnalyticalExamples, E5)
+{
+  /*
+   * No idea what these equations are
+   *
+   * this problem is described in
+   * Hairer, E., Wanner, G., 1996. Solving Ordinary Differential Equations II: Stiff and Differential-Algebraic Problems, 2nd
+   * edition. ed. Springer, Berlin ; New York. Page 3
+   *
+   * solutions are provided here
+   * https://www.unige.ch/~hairer/testset/testset.html
+   */
+
+  auto y1 = micm::Species("y1");
+  auto y2 = micm::Species("y2");
+  auto y3 = micm::Species("y3");
+  auto y4 = micm::Species("y4");
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ y1, y2, y3, y4 } };
+
+  micm::Process r1 = micm::Process::create()
+                         .reactants({ y1 })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r1" }))
+                         .phase(gas_phase);
+  micm::Process r2 = micm::Process::create()
+                         .reactants({ y2 })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r2" }))
+                         .phase(gas_phase);
+  micm::Process r3 = micm::Process::create()
+                         .reactants({ y3 })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r3" }))
+                         .phase(gas_phase);
+  micm::Process r4 = micm::Process::create()
+                         .reactants({ y4 })
+                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r4" }))
+                         .phase(gas_phase);
+
+  auto params = micm::RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters();
+  params.relative_tolerance_ = 1e-2;
+  params.absolute_tolerance_ = 1.7e-24;
+  E5<micm::Matrix, SparseMatrixTest> solver(
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::vector<micm::Process>{ r1, r2, r3, r4 }, params);
+
+  size_t N = 7;
+
+  std::vector<std::vector<double>> model_concentrations(N + 1, std::vector<double>(4));
+  std::vector<std::vector<double>> analytical_concentrations(N + 1, std::vector<double>(4));
+
+  model_concentrations[0] = { 1.76e-3, 0, 0, 0 };
+
+  analytical_concentrations = {
+    { 1.76e-3, 0, 0, 0 },
+    { 1.7599259497677897058e-003, 1.3846281519376516449e-011, 7.6370038530073911180e-013, 1.3082581134075777338e-011 },
+    { 1.6180769999072942552e-003, 1.3822370304983735443e-010, 8.2515735006838336088e-012, 1.2997212954915352082e-010 },
+    { 7.4813208224292220114e-006, 2.3734781561205975019e-012, 2.2123586689581663654e-012, 1.6111948716243113653e-013 },
+    { 4.7150333630401632232e-010, 1.8188895860807021729e-014, 1.8188812376786725407e-014, 8.3484020296321693074e-020 },
+    { 3.1317148329356996037e-014, 1.4840957952870064294e-016, 1.4840957948345691466e-016, 4.5243728279782625194e-026 },
+    { 3.8139035189787091771e-049, 1.0192582567660293322e-020, 1.0192582567660293322e-020, 3.7844935507486221171e-065 },
+    { 0.0000000000000000000e-000, 8.8612334976263783420e-023, 8.8612334976263783421e-023, 0.0000000000000000000e-000 }
+  };
+
+  micm::State<micm::Matrix> state = solver.GetState();
+
+  state.variables_[0] = model_concentrations[0];
+
+  std::vector<double> times;
+  times.push_back(0);
+  double time_step = 10;
+  for (size_t i_time = 0; i_time < N; ++i_time)
+  {
+    double solve_time = time_step + i_time * time_step;
+    times.push_back(solve_time);
+    // Model results
+    double actual_solve = 0;
+    while (actual_solve < time_step)
+    {
+      auto result = solver.Solve(time_step - actual_solve, state);
+      state.variables_[0] = result.result_.AsVector();
+      actual_solve += result.final_time_;
+    }
+    model_concentrations[i_time + 1] = state.variables_[0];
+    time_step *= 100;
+  }
+
+  std::vector<std::string> header = { "time", "y1", "y2", "y3", "y4" };
+  writeCSV("model_concentrations.csv", header, model_concentrations, times);
+  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, times);
+
+  double tol = 1e-5;
+  for (size_t i = 0; i < model_concentrations.size(); ++i)
+  {
+    for (size_t j = 0; j < model_concentrations[0].size(); ++j)
+    {
+      double rel_diff = relative_difference(model_concentrations[i][j], analytical_concentrations[i][j]);
+      EXPECT_NEAR(model_concentrations[i][j], analytical_concentrations[i][j], tol)
+          << "difference at (" << i << ", " << j << ")";
+    }
+  }
+}
\ No newline at end of file

From 505b6913e07dc15c36644e2533ec305d7506719a Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 4 Oct 2023 11:22:14 -0500
Subject: [PATCH 068/318] adding time to hello world example

---
 README.md                             | 22 ++++++++++----------
 docs/source/getting_started.rst       | 29 +++++++++++++++------------
 test/tutorial/test_README_example.cpp | 12 ++++++++---
 3 files changed, 36 insertions(+), 27 deletions(-)

diff --git a/README.md b/README.md
index 97ab0d751..864c37224 100644
--- a/README.md
+++ b/README.md
@@ -144,17 +144,17 @@ g++ -o foo_chem foo_chem.cpp -I/usr/local/micm-3.1.0/include -std=c++20
 
 Output:
 ```
-foo,       bar,      baz
-19.034389, 0.762719, 0.197464
-18.105748, 1.478520, 0.395242
-17.213802, 2.150391, 0.592159
-16.358113, 2.781130, 0.787212
-15.538111, 3.373351, 0.979560
-14.753106, 3.929496, 1.168498
-14.002317, 4.451851, 1.353446
-13.284884, 4.942548, 1.533932
-12.599887, 5.403583, 1.709582
-11.946359, 5.836817, 1.880104
+time,        foo,        bar,        baz
+   0,  11.843503,   5.904845,   1.907012
+   1,   6.792023,   9.045965,   3.317336
+   2,   3.828700,  10.740589,   4.210461
+   3,   2.138145,  11.663685,   4.739393
+   4,   1.187934,  12.169452,   5.042503
+   5,   0.658129,  12.447502,   5.213261
+   6,   0.363985,  12.600676,   5.308597
+   7,   0.201076,  12.685147,   5.361559
+   8,   0.111028,  12.731727,   5.390884
+   9,   0.061290,  12.757422,   5.407096
 ```
 # Citation
 
diff --git a/docs/source/getting_started.rst b/docs/source/getting_started.rst
index 695731edd..b33c4e8fb 100644
--- a/docs/source/getting_started.rst
+++ b/docs/source/getting_started.rst
@@ -86,17 +86,20 @@ To build and run the example using GNU::
   $ g++ -o foo_chem foo_chem.cpp -I<CMAKE_INSTALL_PREFIX>/include -std=c++20
   $ ./foo_chem
 
-Output::
-
-  foo,       bar,      baz
-  19.034389, 0.762719, 0.197464
-  18.105748, 1.478520, 0.395242
-  17.213802, 2.150391, 0.592159
-  16.358113, 2.781130, 0.787212
-  15.538111, 3.373351, 0.979560
-  14.753106, 3.929496, 1.168498
-  14.002317, 4.451851, 1.353446
-  13.284884, 4.942548, 1.533932
-  12.599887, 5.403583, 1.709582
-  11.946359, 5.836817, 1.880104
+You should see an output including this
+
+.. csv-table::
+   :header: "time", "foo", "bar", "baz"
+   :widths: 6, 10, 10, 10
+
+      0,  11.843503,   5.904845,   1.907012
+      1,   6.792023,   9.045965,   3.317336
+      2,   3.828700,  10.740589,   4.210461
+      3,   2.138145,  11.663685,   4.739393
+      4,   1.187934,  12.169452,   5.042503
+      5,   0.658129,  12.447502,   5.213261
+      6,   0.363985,  12.600676,   5.308597
+      7,   0.201076,  12.685147,   5.361559
+      8,   0.111028,  12.731727,   5.390884
+      9,   0.061290,  12.757422,   5.407096
 
diff --git a/test/tutorial/test_README_example.cpp b/test/tutorial/test_README_example.cpp
index 457594621..c088bc466 100644
--- a/test/tutorial/test_README_example.cpp
+++ b/test/tutorial/test_README_example.cpp
@@ -38,13 +38,19 @@ int main(const int argc, const char *argv[])
   state.conditions_[0].pressure_ = 101319.9;   // Pa
   state.SetConcentration(foo, 20.0);           // mol m-3
 
-  std::cout << "foo, bar, baz" << std::endl;
+  std::cout << std::setw(5) << "time," 
+            << std::setw(13) << "foo, "
+            << std::setw(12) << "bar, "
+            << std::setw(10) << "baz" << std::endl;
   for (int i = 0; i < 10; ++i)
   {
     auto result = solver.Solve(500.0, state);
     state.variables_ = result.result_;
-    std::cout << std::fixed << std::setprecision(6) << state.variables_[0][state.variable_map_["Foo"]] << ", "
-              << state.variables_[0][state.variable_map_["Bar"]] << ", " << state.variables_[0][state.variable_map_["Baz"]]
+    std::cout << std::fixed << std::setprecision(6) 
+              << std::setw(4) << i << ", "
+              << std::setw(10) << state.variables_[0][state.variable_map_["Foo"]] << ", "
+              << std::setw(10) << state.variables_[0][state.variable_map_["Bar"]] << ", " 
+              << std::setw(10) << state.variables_[0][state.variable_map_["Baz"]]
               << std::endl;
   }
 

From dcb77b6d15c2503b880f7dff7d6d25f731f58705 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 4 Oct 2023 13:30:08 -0500
Subject: [PATCH 069/318] Update issue templates

---
 .github/ISSUE_TEMPLATE/bug_report.md      | 38 +++++++++++++++++++++++
 .github/ISSUE_TEMPLATE/feature_request.md | 20 ++++++++++++
 2 files changed, 58 insertions(+)
 create mode 100644 .github/ISSUE_TEMPLATE/bug_report.md
 create mode 100644 .github/ISSUE_TEMPLATE/feature_request.md

diff --git a/.github/ISSUE_TEMPLATE/bug_report.md b/.github/ISSUE_TEMPLATE/bug_report.md
new file mode 100644
index 000000000..dd84ea782
--- /dev/null
+++ b/.github/ISSUE_TEMPLATE/bug_report.md
@@ -0,0 +1,38 @@
+---
+name: Bug report
+about: Create a report to help us improve
+title: ''
+labels: ''
+assignees: ''
+
+---
+
+**Describe the bug**
+A clear and concise description of what the bug is.
+
+**To Reproduce**
+Steps to reproduce the behavior:
+1. Go to '...'
+2. Click on '....'
+3. Scroll down to '....'
+4. See error
+
+**Expected behavior**
+A clear and concise description of what you expected to happen.
+
+**Screenshots**
+If applicable, add screenshots to help explain your problem.
+
+**Desktop (please complete the following information):**
+ - OS: [e.g. iOS]
+ - Browser [e.g. chrome, safari]
+ - Version [e.g. 22]
+
+**Smartphone (please complete the following information):**
+ - Device: [e.g. iPhone6]
+ - OS: [e.g. iOS8.1]
+ - Browser [e.g. stock browser, safari]
+ - Version [e.g. 22]
+
+**Additional context**
+Add any other context about the problem here.
diff --git a/.github/ISSUE_TEMPLATE/feature_request.md b/.github/ISSUE_TEMPLATE/feature_request.md
new file mode 100644
index 000000000..bbcbbe7d6
--- /dev/null
+++ b/.github/ISSUE_TEMPLATE/feature_request.md
@@ -0,0 +1,20 @@
+---
+name: Feature request
+about: Suggest an idea for this project
+title: ''
+labels: ''
+assignees: ''
+
+---
+
+**Is your feature request related to a problem? Please describe.**
+A clear and concise description of what the problem is. Ex. I'm always frustrated when [...]
+
+**Describe the solution you'd like**
+A clear and concise description of what you want to happen.
+
+**Describe alternatives you've considered**
+A clear and concise description of any alternative solutions or features you've considered.
+
+**Additional context**
+Add any other context or screenshots about the feature request here.

From db6e1007880dfbd3cfccdc41df85b5dc2084de1e Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 4 Oct 2023 13:33:18 -0500
Subject: [PATCH 070/318] adding code of conduct and contributors guide

---
 CODE_OF_CONDUCT.md                 | 128 +++++++++++++++++++++++++++++
 README.md                          |   4 +-
 docs/source/contributing/index.rst |  12 ++-
 3 files changed, 141 insertions(+), 3 deletions(-)
 create mode 100644 CODE_OF_CONDUCT.md

diff --git a/CODE_OF_CONDUCT.md b/CODE_OF_CONDUCT.md
new file mode 100644
index 000000000..bf8c999a0
--- /dev/null
+++ b/CODE_OF_CONDUCT.md
@@ -0,0 +1,128 @@
+# Contributor Covenant Code of Conduct
+
+## Our Pledge
+
+We as members, contributors, and leaders pledge to make participation in our
+community a harassment-free experience for everyone, regardless of age, body
+size, visible or invisible disability, ethnicity, sex characteristics, gender
+identity and expression, level of experience, education, socio-economic status,
+nationality, personal appearance, race, religion, or sexual identity
+and orientation.
+
+We pledge to act and interact in ways that contribute to an open, welcoming,
+diverse, inclusive, and healthy community.
+
+## Our Standards
+
+Examples of behavior that contributes to a positive environment for our
+community include:
+
+* Demonstrating empathy and kindness toward other people
+* Being respectful of differing opinions, viewpoints, and experiences
+* Giving and gracefully accepting constructive feedback
+* Accepting responsibility and apologizing to those affected by our mistakes,
+  and learning from the experience
+* Focusing on what is best not just for us as individuals, but for the
+  overall community
+
+Examples of unacceptable behavior include:
+
+* The use of sexualized language or imagery, and sexual attention or
+  advances of any kind
+* Trolling, insulting or derogatory comments, and personal or political attacks
+* Public or private harassment
+* Publishing others' private information, such as a physical or email
+  address, without their explicit permission
+* Other conduct which could reasonably be considered inappropriate in a
+  professional setting
+
+## Enforcement Responsibilities
+
+Community leaders are responsible for clarifying and enforcing our standards of
+acceptable behavior and will take appropriate and fair corrective action in
+response to any behavior that they deem inappropriate, threatening, offensive,
+or harmful.
+
+Community leaders have the right and responsibility to remove, edit, or reject
+comments, commits, code, wiki edits, issues, and other contributions that are
+not aligned to this Code of Conduct, and will communicate reasons for moderation
+decisions when appropriate.
+
+## Scope
+
+This Code of Conduct applies within all community spaces, and also applies when
+an individual is officially representing the community in public spaces.
+Examples of representing our community include using an official e-mail address,
+posting via an official social media account, or acting as an appointed
+representative at an online or offline event.
+
+## Enforcement
+
+Instances of abusive, harassing, or otherwise unacceptable behavior may be
+reported to the community leaders responsible for enforcement at
+musica-support@ucar.edu.
+All complaints will be reviewed and investigated promptly and fairly.
+
+All community leaders are obligated to respect the privacy and security of the
+reporter of any incident.
+
+## Enforcement Guidelines
+
+Community leaders will follow these Community Impact Guidelines in determining
+the consequences for any action they deem in violation of this Code of Conduct:
+
+### 1. Correction
+
+**Community Impact**: Use of inappropriate language or other behavior deemed
+unprofessional or unwelcome in the community.
+
+**Consequence**: A private, written warning from community leaders, providing
+clarity around the nature of the violation and an explanation of why the
+behavior was inappropriate. A public apology may be requested.
+
+### 2. Warning
+
+**Community Impact**: A violation through a single incident or series
+of actions.
+
+**Consequence**: A warning with consequences for continued behavior. No
+interaction with the people involved, including unsolicited interaction with
+those enforcing the Code of Conduct, for a specified period of time. This
+includes avoiding interactions in community spaces as well as external channels
+like social media. Violating these terms may lead to a temporary or
+permanent ban.
+
+### 3. Temporary Ban
+
+**Community Impact**: A serious violation of community standards, including
+sustained inappropriate behavior.
+
+**Consequence**: A temporary ban from any sort of interaction or public
+communication with the community for a specified period of time. No public or
+private interaction with the people involved, including unsolicited interaction
+with those enforcing the Code of Conduct, is allowed during this period.
+Violating these terms may lead to a permanent ban.
+
+### 4. Permanent Ban
+
+**Community Impact**: Demonstrating a pattern of violation of community
+standards, including sustained inappropriate behavior,  harassment of an
+individual, or aggression toward or disparagement of classes of individuals.
+
+**Consequence**: A permanent ban from any sort of public interaction within
+the community.
+
+## Attribution
+
+This Code of Conduct is adapted from the [Contributor Covenant][homepage],
+version 2.0, available at
+https://www.contributor-covenant.org/version/2/0/code_of_conduct.html.
+
+Community Impact Guidelines were inspired by [Mozilla's code of conduct
+enforcement ladder](https://github.com/mozilla/diversity).
+
+[homepage]: https://www.contributor-covenant.org
+
+For answers to common questions about this code of conduct, see the FAQ at
+https://www.contributor-covenant.org/faq. Translations are available at
+https://www.contributor-covenant.org/translations.
\ No newline at end of file
diff --git a/README.md b/README.md
index 97ab0d751..fcce9f423 100644
--- a/README.md
+++ b/README.md
@@ -185,10 +185,10 @@ cutting edge science.
   - Anyone interested in scientific collaboration
 which would add new software functionality should read the [MUSICA software development plan](https://github.com/NCAR/musica/blob/main/docs/Software%20Development%20Plan.pdf).
 
-- [Code of conduct]
+- [Code of conduct](CODE_OF_CONDUCT.md)
   - Please read this through to you understand the expectations with how to interact with this project.
 
-- [Contributor's guide]
+- [Contributor's guide](https://ncar.github.io/micm/contributing/index.html)
   - Before submiitting a PR, please thouroughly read this to you understand our expectations. We reserve the right to reject any PR not meeting our guidelines.
 
 
diff --git a/docs/source/contributing/index.rst b/docs/source/contributing/index.rst
index 486b24cf9..3acf97464 100644
--- a/docs/source/contributing/index.rst
+++ b/docs/source/contributing/index.rst
@@ -1,3 +1,13 @@
 
 Contributing
-============
\ No newline at end of file
+============
+
+For all proposed changes (bug fixes, new feature, documentation upates, etc.) please file
+and [issue](https://github.com/NCAR/micm/issues/new/choose) detailing what your ask is or what you intend to do.
+
+The NCAR software developers will work with you on that issue to help recommend implementations, work through questions,
+or provide other background knowledge.
+
+Any code that you contribute must include associated unit tests or an integration test of some kind. Our tests run across
+various platforms and with different configurations automatically. By including tests that exercise your code, you help to
+minimize the amount of time debugging platform portability issues.
\ No newline at end of file

From 1a8e7d246e6f0423ae144ae66718d12d73da499f Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 4 Oct 2023 13:39:27 -0500
Subject: [PATCH 071/318] 278 add tutorial for use with openmp (#280)

* adding more build instructions

* adding test for openmp

* adding cmake stuff to detect libomp installed with homebrew

* stubbed openmp tutorial
---
 CMakeLists.txt                                |   3 +-
 Dockerfile.openmp                             |   1 +
 cmake/dependencies.cmake                      |  35 ++++++
 docs/source/_static/tutorials/robertson.zip   | Bin 0 -> 857 bytes
 docs/source/getting_started.rst               |  30 +++--
 docs/source/user_guide/index.rst              |  27 +++++
 docs/source/user_guide/openmp.rst             |  73 ++++++++++++
 test/tutorial/CMakeLists.txt                  |   4 +
 .../tutorial/configs/robertson/reactions.json |  43 +++++++
 test/tutorial/configs/robertson/species.json  |  16 +++
 test/tutorial/test_openmp.cpp                 | 109 ++++++++++++++++++
 test/unit/CMakeLists.txt                      |   3 +
 test/unit/openmp/CMakeLists.txt               |   9 ++
 test/unit/openmp/test_openmp.cpp              |  87 ++++++++++++++
 .../unit_configs/robertson/reactions.json     |  43 +++++++
 test/unit/unit_configs/robertson/species.json |  16 +++
 16 files changed, 489 insertions(+), 10 deletions(-)
 create mode 100644 docs/source/_static/tutorials/robertson.zip
 create mode 100644 docs/source/user_guide/openmp.rst
 create mode 100644 test/tutorial/configs/robertson/reactions.json
 create mode 100644 test/tutorial/configs/robertson/species.json
 create mode 100644 test/tutorial/test_openmp.cpp
 create mode 100644 test/unit/openmp/CMakeLists.txt
 create mode 100644 test/unit/openmp/test_openmp.cpp
 create mode 100644 test/unit/unit_configs/robertson/reactions.json
 create mode 100644 test/unit/unit_configs/robertson/species.json

diff --git a/CMakeLists.txt b/CMakeLists.txt
index a74139d93..1bff9bfa4 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -41,6 +41,7 @@ option(BUILD_DOCS "Build the documentation" OFF)
 option(ENABLE_CUDA "Build with Cuda support" OFF)
 option(ENABLE_OPENACC "Build with OpenACC Support" OFF)
 option(ENABLE_LLVM "Build with LLVM support for JIT-compiling" OFF)
+option(ENABLE_TESTS "Build the tests" ON)
 
 include(CMakeDependentOption)
 # Option to collect custom OpenACC flags
@@ -68,7 +69,7 @@ endif()
 ################################################################################
 # Tests
 
-if(PROJECT_IS_TOP_LEVEL)
+if(PROJECT_IS_TOP_LEVEL AND ENABLE_TESTS)
   # Test code coverage
   if(ENABLE_COVERAGE)
     include(CodeCoverage)
diff --git a/Dockerfile.openmp b/Dockerfile.openmp
index ae5ae6f08..66ae9408a 100644
--- a/Dockerfile.openmp
+++ b/Dockerfile.openmp
@@ -18,6 +18,7 @@ RUN mkdir /build \
       && cmake  \
         -D ENABLE_CLANG_TIDY:BOOL=FALSE \
         -D ENABLE_OPENMP:BOOL=TRUE \
+        -D ENABLE_JSON:BOOL=TRUE \
         ../micm \
       && make install -j 8
 
diff --git a/cmake/dependencies.cmake b/cmake/dependencies.cmake
index b5fe2d8c5..423ca7c69 100644
--- a/cmake/dependencies.cmake
+++ b/cmake/dependencies.cmake
@@ -23,6 +23,41 @@ endif()
 # OpenMP
 
 if(ENABLE_OPENMP)
+  if(APPLE)
+    # Apple clang by default doesn't include support for openmp
+    # but if omp was installed with `brew install libomp`, support can be configured
+    if(CMAKE_C_COMPILER_ID MATCHES "Clang" OR CMAKE_CXX_COMPILER_ID MATCHES "Clang")
+      # Set the C flags
+      set(OpenMP_C_FLAGS "-Xpreprocessor -fopenmp")
+      set(OpenMP_C_LIB_NAMES "omp")
+      set(OpenMP_omp_LIBRARY omp)
+
+      # Set the CXX flags
+      set(OpenMP_CXX_FLAGS "-Xpreprocessor -fopenmp")
+      set(OpenMP_CXX_LIB_NAMES "omp")
+      set(OpenMP_omp_LIBRARY omp)
+
+      # Assume that libomp is instaleld on mac with brew when using apple clang
+      # Get the path to libomp from Homebrew
+      execute_process(
+        COMMAND brew --prefix libomp
+        OUTPUT_VARIABLE LIBOMP_PREFIX
+        OUTPUT_STRIP_TRAILING_WHITESPACE
+      )
+
+      # Set the full path to the libomp library
+      set(OpenMP_omp_LIBRARY "${LIBOMP_PREFIX}/lib/libomp.dylib")
+
+      # Set the include directory
+      set(LIBOMP_INCLUDE_DIR "${LIBOMP_PREFIX}/include")
+
+      include_directories(
+        ${LIBOMP_INCLUDE_DIR}
+      )
+    endif()
+
+  endif()
+
   find_package(OpenMP REQUIRED)
   message(STATUS "Compiling with OpenMP support")
 endif()
diff --git a/docs/source/_static/tutorials/robertson.zip b/docs/source/_static/tutorials/robertson.zip
new file mode 100644
index 0000000000000000000000000000000000000000..d3396649eb546a2935b83b6f57e0ea302edd467f
GIT binary patch
literal 857
zcmWIWW@Zs#00HX|mvArxN^mhKFcjq{r52SG=jZ8%hVU}5KW>#x1>sjfTw1}+z{t`+
zm4N}QKLBhF2LlI+IY)tJiJ_QNT#%ZanOdxu1vC`JOpv)~X0Cn~6cFI$cSiSuucwY@
z$flqUHZBc~kY>*XA#q80S^*&^13lT*LV_Y0#EQNZeC_4uD<}<PI(_9;!u6Lf+x*fG
zSv98UgzGW{c(Zd@yv>R60J;X`BJ6HeWoBTIKyhnPYGQIpW_})(T)R@k)NrSYvAzF7
zjg2Z>BNX-H7jCiG>Y=D=s%xxo>gvh9Y~PYi3~TOPzk2iV#q-8D#1&bM7fIxCZ}QdH
z#ccD(`A@A<vu*RkTY_#X&!#r?I9%hHQpCb}RjKppq8B<Er~Ea2k1e~%x!>*ng#`a}
zch(9E39Z7!Ko8yc2HC|6LL!1VQzRz7mz521OuzIe!=>7O(hH|M|4NrM)%Q;P!<~Ax
z=wQXhn62Qzy3Aep@;ES{KtU4V&B!Fej5~<{m4U%qM-W9yf`OO|OESn21WGb6u%r<b
uZ3uHoNkA~S!|Xuz7bvP>U`gW_6gx<Z_yBKKHjqioK&ZsXz@W$k;sF5QB=f-l

literal 0
HcmV?d00001

diff --git a/docs/source/getting_started.rst b/docs/source/getting_started.rst
index 695731edd..fcefc5465 100644
--- a/docs/source/getting_started.rst
+++ b/docs/source/getting_started.rst
@@ -9,16 +9,14 @@ CPU
 ~~~
 To build and install MICM locally, you must have the following libraries installed:
 
-- [sphinx](https://github.com/sphinx-doc/sphinx)
-- [sphinx-book-theme](https://github.com/executablebooks/sphinx-book-theme)
-- [sphinx-design](https://github.com/executablebooks/sphinx-design)
-- [breathe](https://github.com/breathe-doc/breathe)
+- `CMake <https://cmake.org/>`_
+  - `installation <https://cmake.org/download/>`_
 
-You must also have CMake installed on your machine.
-
-Open a terminal window, navigate to a folder where you would like the MICM files to exist,
-and run the following commands::
+Then, it's enough for you to configure and install micm on your computer. Because micm is header-only library, the install
+step will simply copy the header files into the normal location required by your system.
 
+.. code-block:: console
+  
     $ git clone https://github.com/NCAR/micm.git
     $ cd micm
     $ mkdir build
@@ -30,6 +28,20 @@ and run the following commands::
 CMake will allow for setting options such as the installation directory
 with CMAKE_INSTALL_PREFIX, or various build flags such as BUILD_DOCS, ENABLE_CUDA, etc.
 
+MICM can optionally include support for json configuration reading, OpenMP,
+JIT-compiled chemistry functions, and GPUs. Each of these requires an additional library. 
+Some of these libraries can be included automatically with cmake build options,
+others require that you have libraries installed on your system.
+
+- JSON configuration support
+  - When building micm, you need to enable the JSON option. This will download and configure the `nlohmann/jsoncpp library <https://github.com/nlohmann/json>`_  for you. For example: ``cmake -DENABLE_JSON=ON ..``
+- JIT-compiled chemistry functions 
+  - This requires `LLVM <https://llvm.org/docs/index.html>`_ to be installed with on your system. Once it is, you can include the jit options with ``cmake -DENBABLE_LLVM=ON ..``
+- GPU support
+  - Coming soon
+- OpenMP
+  - On macOS, you either need to configure cmake to use gcc which ships with OpenMP (either ``CXX=g++ cmake -DENABLE_OPENMP=ON ..`` or ``cmake -DCMAKE_CXX_COMPILER=g++ -DENABLE_OPENMP=ON ..``)
+
 Docker Container
 ~~~~~~~~~~~~~~~~
 
@@ -74,7 +86,7 @@ The following example solves the fictitious chemical system::
   foo + bar --k2--> baz
 
 The `k1` and `k2` rate constants are for Arrhenius reactions.
-See the [MICM documentation](https://ncar.github.io/micm/)
+See the `MICM documentation <https://ncar.github.io/micm/>`
 for details on the types of reactions available in MICM and how to configure them.
 To solve this system save the following code in a file named `foo_chem.cpp`
 
diff --git a/docs/source/user_guide/index.rst b/docs/source/user_guide/index.rst
index e579327ff..b0a58ba74 100644
--- a/docs/source/user_guide/index.rst
+++ b/docs/source/user_guide/index.rst
@@ -9,6 +9,32 @@ If you happen to find our examples are lacking for your needs, please,
 `fill out an issue <https://github.com/NCAR/micm/issues/new>`_ and request the kind of example you'd like. 
 
 
+All of these tutorials are included in our automated tests. Each of them can be found in the code base in the
+``test/tutorial`` directory. When building MICM with tests (the default), you can each test individually to see the output.
+
+
+.. code-block:: console
+  
+    $ git clone https://github.com/NCAR/micm.git
+    $ cd micm
+    $ mkdir build
+    $ cd build
+    $ cmake ..
+    $ make
+    $ ./test_multiple_grid_cells
+    $ ./test_rate_constants_no_user_defined_example_by_hand
+    $ ./test_rate_constants_user_defined_example_by_hand
+
+
+If you would like to include the json examples, you must configure micm to build with json support.
+
+.. code-block:: console
+  
+    $ cmake -DENABLE_JSON=ON ..
+    $ make
+    $ ./test_rate_constants_no_user_defined_example_with_config
+    $ ./test_rate_constants_user_defined_example_with_config
+
 
 .. toctree::
    :maxdepth: 1
@@ -17,3 +43,4 @@ If you happen to find our examples are lacking for your needs, please,
    rate_constant_tutorial
    user_defined_rate_constant_tutorial
    multiple_grid_cells
+   openmp
diff --git a/docs/source/user_guide/openmp.rst b/docs/source/user_guide/openmp.rst
new file mode 100644
index 000000000..fe20c65d3
--- /dev/null
+++ b/docs/source/user_guide/openmp.rst
@@ -0,0 +1,73 @@
+.. _OpenMP:
+
+OpenMP
+======
+
+This tutorial will focus on running micm with OpenMP support.
+We will use a simple 3-reaction 3-species mechanism. The setup here is the same in
+:ref:`Multiple grid cells`, except only one grid cell is used.
+
+.. math::
+  A &\longrightarrow B, &k_{1, \mathrm{user\ defined}} \\
+  2B &\longrightarrow B + C, &k_{2, \mathrm{user\ defined}} \\
+  B + C &\longrightarrow A + C, \qquad &k_{3, \mathrm{user\ defined}} \\
+
+If you're looking for a copy and paste, copy below and be on your way! Otherwise, stick around for a line by line explanation.
+
+.. tabs::
+
+    .. tab:: OpenAtmos Configuration reading
+
+      .. raw:: html
+
+          <div class="download-div">
+            <a href="../_static/tutorials/robertson.zip" download>
+              <button class="download-button">Download zip configuration</button>
+            </a>
+          </div>
+
+      .. literalinclude:: ../../../test/tutorial/test_openmp.cpp
+        :language: cpp
+
+Line-by-line explanation
+------------------------
+
+At present, the Rosenbrock class is not thread safe. Thread safety is being added and will be available soon in new release.
+
+Until then, you can run one instance of the Rosenbrock solver on its own thread. Configuration data, at least, can be shared
+across the threads. This tutorial reads a configuraiton file and then configures three solvers, each on their own thread,
+with that same configuration information.
+
+First we need to bring in the necessary imports and use the micm namespace.
+
+.. literalinclude:: ../../../test/tutorial/test_openmp.cpp
+  :language: cpp
+  :lines: 1-6
+
+Then we'll define a funtion that we can call with the configuration information from each thread. This function will build
+and run the rosenbrock solver.
+
+.. literalinclude:: ../../../test/tutorial/test_openmp.cpp
+  :language: cpp
+  :lines: 29-69
+
+The main function simply reads the configuration file, sets the number of threads, and then sets up an OpenMP blcok
+with three threads. The function defined above is called on each thread.
+
+.. literalinclude:: ../../../test/tutorial/test_openmp.cpp
+  :language: cpp
+  :lines: 71-109
+
+Running this program should give an output similar to this:
+
+.. code-block:: console
+
+  Thread 1
+           A,         B,         C
+    2.55e-01,  1.37e-06,  7.45e-01
+  Thread 2
+           A,         B,         C
+    2.55e-01,  1.37e-06,  7.45e-01
+  Thread 3
+           A,         B,         C
+    2.55e-01,  1.37e-06,  7.45e-01
\ No newline at end of file
diff --git a/test/tutorial/CMakeLists.txt b/test/tutorial/CMakeLists.txt
index a65cec863..9b662a07e 100644
--- a/test/tutorial/CMakeLists.txt
+++ b/test/tutorial/CMakeLists.txt
@@ -14,6 +14,10 @@ create_standard_test(NAME rate_constants_user_defined_example_by_hand SOURCES te
 if(ENABLE_JSON)
   create_standard_test(NAME rate_constants_no_user_defined_example_with_config SOURCES test_rate_constants_no_user_defined_with_config.cpp)
   create_standard_test(NAME rate_constants_user_defined_example_with_config SOURCES test_rate_constants_user_defined_with_config.cpp)
+
+  if(ENABLE_OPENMP)
+    create_standard_test(NAME openmp_tutorial SOURCES test_openmp.cpp)
+  endif()
 endif()
 
 ################################################################################
diff --git a/test/tutorial/configs/robertson/reactions.json b/test/tutorial/configs/robertson/reactions.json
new file mode 100644
index 000000000..cbffae848
--- /dev/null
+++ b/test/tutorial/configs/robertson/reactions.json
@@ -0,0 +1,43 @@
+{
+  "camp-data": [
+    {
+      "name": "reaction rates no user defined",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "PHOTOLYSIS",
+          "reactants": {
+            "A": {}
+          },
+          "products": {
+            "B": {}
+          },
+          "MUSICA name": "r1"
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "reactants": {
+            "B": { "qty": 2}
+          },
+          "products": {
+            "B": {},
+            "C": {}
+          },
+          "MUSICA name": "r2"
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "reactants": {
+            "B": {},
+            "C": {}
+          },
+          "products": {
+            "A": {},
+            "C": {}
+          },
+          "MUSICA name": "r3"
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/tutorial/configs/robertson/species.json b/test/tutorial/configs/robertson/species.json
new file mode 100644
index 000000000..5a1a8db68
--- /dev/null
+++ b/test/tutorial/configs/robertson/species.json
@@ -0,0 +1,16 @@
+{
+  "camp-data": [
+    {
+      "name": "A",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "B",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "C",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/tutorial/test_openmp.cpp b/test/tutorial/test_openmp.cpp
new file mode 100644
index 000000000..ead3829ff
--- /dev/null
+++ b/test/tutorial/test_openmp.cpp
@@ -0,0 +1,109 @@
+#include <omp.h>
+
+#include <micm/configure/solver_config.hpp>
+#include <micm/solver/rosenbrock.hpp>
+
+using namespace micm;
+
+void print_header()
+{
+  std::cout << std::setw(10) << "A"
+            << "," << std::setw(10) << "B"
+            << "," << std::setw(10) << "C" << std::endl;
+}
+
+void print_results(std::vector<double> results)
+{
+  std::ios oldState(nullptr);
+  oldState.copyfmt(std::cout);
+
+  std::cout << std::scientific << std::setprecision(2) 
+    << std::setw(10) << results[0] << "," 
+    << std::setw(10) << results[1] << "," 
+    << std::setw(10) << results[2] 
+    << std::endl;
+
+  std::cout.copyfmt(oldState);
+}
+
+std::vector<double> test_solver_on_thread(System chemical_system, std::vector<Process> reactions)
+{
+  RosenbrockSolver<> solver{ chemical_system,
+                                  reactions,
+                                  RosenbrockSolverParameters::three_stage_rosenbrock_parameters(1, false) };
+  State<Matrix> state = solver.GetState();
+
+  // mol m-3
+  state.variables_[0] = { 1, 0, 0 };
+
+  double k1 = 0.04;
+  double k2 = 3e7;
+  double k3 = 1e4;
+  state.SetCustomRateParameter("PHOTO.r1", k1);
+  state.SetCustomRateParameter("PHOTO.r2", k2);
+  state.SetCustomRateParameter("PHOTO.r3", k3);
+
+  double temperature = 272.5;  // [K]
+  double pressure = 101253.3;  // [Pa]
+  double air_density = 1e6;    // [mol m-3]
+
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.conditions_[0].air_density_ = air_density;
+
+  double time_step = 200;  // s
+
+  for (int i = 0; i < 10; ++i)
+  {
+    double elapsed_solve_time = 0;
+
+    while (elapsed_solve_time < time_step)
+    {
+      auto result = solver.Solve(time_step - elapsed_solve_time, state);
+      elapsed_solve_time = result.final_time_;
+      state.variables_ = result.result_;
+    }
+  }
+
+  return state.variables_.AsVector();
+}
+
+int main()
+{
+  constexpr size_t n_threads = 3;
+
+  SolverConfig solverConfig;
+
+  std::string config_path = "./configs/robertson";
+  ConfigParseStatus status = solverConfig.ReadAndParse(config_path);
+  if (status != micm::ConfigParseStatus::Success)
+  {
+    throw "Parsing failed";
+  }
+
+  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
+
+  auto chemical_system = solver_params.system_;
+  auto reactions = solver_params.processes_;
+
+  std::vector<std::vector<double>> results(3);
+
+#pragma omp parallel num_threads(n_threads)
+  {
+    std::vector<double> result = test_solver_on_thread(chemical_system, reactions);
+    results[omp_get_thread_num()] = result;
+#pragma omp barrier
+  }
+
+  std::cout << "Thread 1" << std::endl;
+  print_header();
+  print_results(results[0]);
+
+  std::cout << "Thread 2" << std::endl;
+  print_header();
+  print_results(results[1]);
+
+  std::cout << "Thread 3" << std::endl;
+  print_header();
+  print_results(results[2]);
+}
\ No newline at end of file
diff --git a/test/unit/CMakeLists.txt b/test/unit/CMakeLists.txt
index dc0abc627..81c8de5ee 100644
--- a/test/unit/CMakeLists.txt
+++ b/test/unit/CMakeLists.txt
@@ -9,6 +9,9 @@ add_subdirectory(solver)
 add_subdirectory(system)
 add_subdirectory(util)
 add_subdirectory(version)
+if(ENABLE_OPENMP AND ENABLE_JSON)
+  add_subdirectory(openmp)
+endif()
 
 ################################################################################
 # Copy test data
diff --git a/test/unit/openmp/CMakeLists.txt b/test/unit/openmp/CMakeLists.txt
new file mode 100644
index 000000000..7db63577c
--- /dev/null
+++ b/test/unit/openmp/CMakeLists.txt
@@ -0,0 +1,9 @@
+################################################################################
+# Test utilities
+
+include(test_util)
+
+################################################################################
+# Tests
+
+create_standard_test(NAME openmp SOURCES test_openmp.cpp)
\ No newline at end of file
diff --git a/test/unit/openmp/test_openmp.cpp b/test/unit/openmp/test_openmp.cpp
new file mode 100644
index 000000000..c398143e5
--- /dev/null
+++ b/test/unit/openmp/test_openmp.cpp
@@ -0,0 +1,87 @@
+#include <gtest/gtest.h>
+#include <omp.h>
+
+#include <micm/configure/solver_config.hpp>
+#include <micm/solver/rosenbrock.hpp>
+
+using namespace micm;
+
+template<class T>
+using SparseMatrixPolicy = SparseMatrix<T>;
+
+std::vector<double> test_solver_on_thread(System chemical_system, std::vector<Process> reactions)
+{
+  std::cout << "Running solver on thread " << omp_get_thread_num() << std::endl;
+  RosenbrockSolver<> solver{ chemical_system,
+                                  reactions,
+                                  RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+  State<Matrix> state = solver.GetState();
+
+  // mol m-3
+  state.variables_[0] = { 1, 0, 0 };
+
+  double k1 = 0.04;
+  double k2 = 3e7;
+  double k3 = 1e4;
+  state.SetCustomRateParameter("PHOTO.r1", k1);
+  state.SetCustomRateParameter("PHOTO.r2", k2);
+  state.SetCustomRateParameter("PHOTO.r3", k3);
+
+  double temperature = 272.5;  // [K]
+  double pressure = 101253.3;  // [Pa]
+  double air_density = 1e6;    // [mol m-3]
+
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.conditions_[0].air_density_ = air_density;
+
+  double time_step = 200;  // s
+
+  for (int i = 0; i < 10; ++i)
+  {
+    double elapsed_solve_time = 0;
+
+    while (elapsed_solve_time < time_step)
+    {
+      auto result = solver.Solve(time_step - elapsed_solve_time, state);
+      elapsed_solve_time = result.final_time_;
+      state.variables_ = result.result_;
+    }
+  }
+
+  return state.variables_.AsVector();
+}
+
+TEST(OpenMP, OneFileReadThreeThreads)
+{
+  constexpr size_t n_threads = 3;
+
+  SolverConfig solverConfig;
+
+  std::string config_path = "./unit_configs/robertson";
+  ConfigParseStatus status = solverConfig.ReadAndParse(config_path);
+  if (status != micm::ConfigParseStatus::Success)
+  {
+    throw "Parsing failed";
+  }
+
+  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
+
+  auto chemical_system = solver_params.system_;
+  auto reactions = solver_params.processes_;
+
+  std::vector<std::vector<double>> results(3);
+
+#pragma omp parallel num_threads(n_threads)
+  {
+    std::vector<double> result = test_solver_on_thread(chemical_system, reactions);
+    results[omp_get_thread_num()] = result;
+#pragma omp barrier 
+  }
+
+  for(int i = 0; i < results[0].size(); ++i) {
+    EXPECT_EQ(results[0][i], results[1][i]);
+    EXPECT_EQ(results[0][i], results[2][i]);
+    EXPECT_EQ(results[1][i], results[2][i]);
+  }
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/robertson/reactions.json b/test/unit/unit_configs/robertson/reactions.json
new file mode 100644
index 000000000..cbffae848
--- /dev/null
+++ b/test/unit/unit_configs/robertson/reactions.json
@@ -0,0 +1,43 @@
+{
+  "camp-data": [
+    {
+      "name": "reaction rates no user defined",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "PHOTOLYSIS",
+          "reactants": {
+            "A": {}
+          },
+          "products": {
+            "B": {}
+          },
+          "MUSICA name": "r1"
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "reactants": {
+            "B": { "qty": 2}
+          },
+          "products": {
+            "B": {},
+            "C": {}
+          },
+          "MUSICA name": "r2"
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "reactants": {
+            "B": {},
+            "C": {}
+          },
+          "products": {
+            "A": {},
+            "C": {}
+          },
+          "MUSICA name": "r3"
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/robertson/species.json b/test/unit/unit_configs/robertson/species.json
new file mode 100644
index 000000000..5a1a8db68
--- /dev/null
+++ b/test/unit/unit_configs/robertson/species.json
@@ -0,0 +1,16 @@
+{
+  "camp-data": [
+    {
+      "name": "A",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "B",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "C",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file

From 81d1dd985c7191e07d3bb65c4975067351d273e2 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 4 Oct 2023 13:44:42 -0500
Subject: [PATCH 072/318] only create the formatting branch if changes are
 detected (#282)

---
 .github/workflows/clang_format.yml | 12 ++++++++++++
 1 file changed, 12 insertions(+)

diff --git a/.github/workflows/clang_format.yml b/.github/workflows/clang_format.yml
index 7a823ebad..86420017e 100644
--- a/.github/workflows/clang_format.yml
+++ b/.github/workflows/clang_format.yml
@@ -26,17 +26,29 @@ jobs:
           find src -type f \( -name '*.cu' -o -name '*.hpp' -o -name '*.h' -o -name '*.cpp' \) -exec clang-format -i --style=file {} +
           find test -type f \( -name '*.hpp' -o -name '*.h' -o -name '*.cpp' \) -exec clang-format -i --style=file {} +
 
+      - name: Check for changes
+        id: check-changes
+        run: |
+          git diff --exit-code || exit 0
+        continue-on-error: true
+
       - name: Commit and push changes
+        # a failue of this step means changes were detected
+        if: steps.check-changes.outcome == 'failure'
         run: |
           git config --global user.name "GitHub Actions"
           git config --global user.email "actions@github.com"
           git commit -am "Auto-format code using Clang-Format" || echo "No changes to commit"
 
       - name: Push changes to main-formatting branch
+        # a failue of this step means changes were detected
+        if: steps.check-changes.outcome == 'failure'
         run: |
           git push origin HEAD:main-formatting
 
       - name: Create Pull Request
+        # a failue of this step means changes were detected
+        if: steps.check-changes.outcome == 'failure'
         uses: peter-evans/create-pull-request@v3
         with:
           token: ${{ secrets.GITHUB_TOKEN }}

From 4d506fd380a9e66d7e303979da18b88a2600dc2b Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 4 Oct 2023 13:45:54 -0500
Subject: [PATCH 073/318] 157 steal the tests from the json library to test
 xcode builds (#283)

* adding xcode builds

* using macos-12 and macos-13

* removing checkout warning
---
 .github/workflows/test.yml | 54 +++++++++++++++++++++++++++++++++++---
 1 file changed, 50 insertions(+), 4 deletions(-)

diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
index 1b95a26c1..7de7b08ba 100644
--- a/.github/workflows/test.yml
+++ b/.github/workflows/test.yml
@@ -23,7 +23,7 @@ jobs:
           # - Dockerfile.mpi
     steps:
       - name: Checkout code
-        uses: actions/checkout@v2
+        uses: actions/checkout@v3
         with:
           submodules: recursive
 
@@ -77,7 +77,7 @@ jobs:
       CXX: ${{ matrix.compiler.cpp }}
     steps:
       - name: Checkout code
-        uses: actions/checkout@v2
+        uses: actions/checkout@v3
 
       - name: Install CMake
         if: matrix.os == 'windows-latest'
@@ -98,9 +98,55 @@ jobs:
           mkdir build
           cd build
           cmake ..
-          cmake --build .
+          cmake --build . --parallel 10
 
       - name: Run tests
         run: |
           cd build
-          ctest -C Debug --rerun-failed --output-on-failure . --verbose
\ No newline at end of file
+          ctest -C Debug --rerun-failed --output-on-failure . --verbose
+
+  xcode_1:
+    runs-on: macos-12
+    strategy:
+      matrix:
+        xcode: ['13.1', '13.2.1', '13.3.1', '13.4.1', '14.0', '14.0.1', '14.1']
+    env:
+      DEVELOPER_DIR: /Applications/Xcode_${{ matrix.xcode }}.app/Contents/Developer
+
+    steps:
+      - uses: actions/checkout@v3
+
+      - name: Configure and build
+        run: |
+          mkdir build
+          cd build
+          cmake ..
+          cmake --build . --parallel 10
+
+      - name: Run tests
+        run: |
+          cd build
+          ctest --rerun-failed --output-on-failure . --verbose -j 10
+
+  xcode_2:
+    runs-on: macos-13
+    strategy:
+      matrix:
+        xcode: ['14.1', '14.2', '14.3.1', '15.0']
+    env:
+      DEVELOPER_DIR: /Applications/Xcode_${{ matrix.xcode }}.app/Contents/Developer
+
+    steps:
+      - uses: actions/checkout@v3
+
+      - name: Configure and build
+        run: |
+          mkdir build
+          cd build
+          cmake ..
+          cmake --build . --parallel 10
+
+      - name: Run tests
+        run: |
+          cd build
+          ctest --rerun-failed --output-on-failure . --verbose -j 10
\ No newline at end of file

From d9ea2766cb0322fa1231c362627fe09e8b4b12bd Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Wed, 4 Oct 2023 11:52:43 -0700
Subject: [PATCH 074/318] add remaining JitRosenbrockSolver analytical
 integration tests

---
 .../integration/analytical_jit_rosenbrock.cpp |  204 +++
 test/integration/analytical_policy.hpp        |  656 +------
 test/integration/analytical_rosenbrock.cpp    | 1608 ++---------------
 3 files changed, 395 insertions(+), 2073 deletions(-)

diff --git a/test/integration/analytical_jit_rosenbrock.cpp b/test/integration/analytical_jit_rosenbrock.cpp
index 1d63191c7..547d74ec6 100644
--- a/test/integration/analytical_jit_rosenbrock.cpp
+++ b/test/integration/analytical_jit_rosenbrock.cpp
@@ -30,4 +30,208 @@ TEST(AnalyticalExamplesJitRosenbrock, Troe)
           jit.get(), s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
         };
       });
+}
+
+TEST(AnalyticalExamplesJitRosenbrock, TroeSuperStiffButAnalytical)
+{
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  test_analytical_stiff_troe<DefaultJitRosenbrockSolver>(
+      [&](const micm::System& s, const std::vector<micm::Process>& p) -> DefaultJitRosenbrockSolver
+      {
+        return DefaultJitRosenbrockSolver{
+          jit.get(), s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
+
+TEST(AnalyticalExamplesJitRosenbrock, Photolysis)
+{
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  test_analytical_photolysis<DefaultJitRosenbrockSolver>(
+      [&](const micm::System& s, const std::vector<micm::Process>& p) -> DefaultJitRosenbrockSolver
+      {
+        return DefaultJitRosenbrockSolver{
+          jit.get(), s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
+
+TEST(AnalyticalExamplesJitRosenbrock, PhotolysisSuperStiffButAnalytical)
+{
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  test_analytical_stiff_photolysis<DefaultJitRosenbrockSolver>(
+      [&](const micm::System& s, const std::vector<micm::Process>& p) -> DefaultJitRosenbrockSolver
+      {
+        return DefaultJitRosenbrockSolver{
+          jit.get(), s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
+
+TEST(AnalyticalExamplesJitRosenbrock, TernaryChemicalActivation)
+{
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  test_analytical_ternary_chemical_activation<DefaultJitRosenbrockSolver>(
+      [&](const micm::System& s, const std::vector<micm::Process>& p) -> DefaultJitRosenbrockSolver
+      {
+        return DefaultJitRosenbrockSolver{
+          jit.get(), s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
+
+TEST(AnalyticalExamplesJitRosenbrock, TernaryChemicalActivationSuperStiffButAnalytical)
+{
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  test_analytical_stiff_ternary_chemical_activation<DefaultJitRosenbrockSolver>(
+      [&](const micm::System& s, const std::vector<micm::Process>& p) -> DefaultJitRosenbrockSolver
+      {
+        return DefaultJitRosenbrockSolver{
+          jit.get(), s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
+
+TEST(AnalyticalExamplesJitRosenbrock, Tunneling)
+{
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  test_analytical_tunneling<DefaultJitRosenbrockSolver>(
+      [&](const micm::System& s, const std::vector<micm::Process>& p) -> DefaultJitRosenbrockSolver
+      {
+        return DefaultJitRosenbrockSolver{
+          jit.get(), s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
+
+TEST(AnalyticalExamplesJitRosenbrock, TunnelingSuperStiffButAnalytical)
+{
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  test_analytical_stiff_tunneling<DefaultJitRosenbrockSolver>(
+      [&](const micm::System& s, const std::vector<micm::Process>& p) -> DefaultJitRosenbrockSolver
+      {
+        return DefaultJitRosenbrockSolver{
+          jit.get(), s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
+
+TEST(AnalyticalExamplesJitRosenbrock, Arrhenius)
+{
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  test_analytical_arrhenius<DefaultJitRosenbrockSolver>(
+      [&](const micm::System& s, const std::vector<micm::Process>& p) -> DefaultJitRosenbrockSolver
+      {
+        return DefaultJitRosenbrockSolver{
+          jit.get(), s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
+
+TEST(AnalyticalExamplesJitRosenbrock, ArrheniusSuperStiffButAnalytical)
+{
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  test_analytical_stiff_arrhenius<DefaultJitRosenbrockSolver>(
+      [&](const micm::System& s, const std::vector<micm::Process>& p) -> DefaultJitRosenbrockSolver
+      {
+        return DefaultJitRosenbrockSolver{
+          jit.get(), s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
+
+TEST(AnalyticalExamplesJitRosenbrock, Branched)
+{
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  test_analytical_branched<DefaultJitRosenbrockSolver>(
+      [&](const micm::System& s, const std::vector<micm::Process>& p) -> DefaultJitRosenbrockSolver
+      {
+        return DefaultJitRosenbrockSolver{
+          jit.get(), s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
+
+TEST(AnalyticalExamplesJitRosenbrock, BranchedSuperStiffButAnalytical)
+{
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  test_analytical_stiff_branched<DefaultJitRosenbrockSolver>(
+      [&](const micm::System& s, const std::vector<micm::Process>& p) -> DefaultJitRosenbrockSolver
+      {
+        return DefaultJitRosenbrockSolver{
+          jit.get(), s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
+
+TEST(AnalyticalExamplesJitRosenbrock, Robertson)
+{
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  test_analytical_robertson<DefaultJitRosenbrockSolver>(
+      [&](const micm::System& s, const std::vector<micm::Process>& p) -> DefaultJitRosenbrockSolver
+      {
+        return DefaultJitRosenbrockSolver{
+          jit.get(), s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
 }
\ No newline at end of file
diff --git a/test/integration/analytical_policy.hpp b/test/integration/analytical_policy.hpp
index c713b823d..5ce4b25ff 100644
--- a/test/integration/analytical_policy.hpp
+++ b/test/integration/analytical_policy.hpp
@@ -185,8 +185,9 @@ void test_analytical_troe(
   }
 }
 
-#if 0
-TEST(AnalyticalExamples, TroeSuperStiffButAnalytical)
+template<class OdeSolverPolicy>
+void test_analytical_stiff_troe(
+    const std::function<OdeSolverPolicy(const micm::System&, const std::vector<micm::Process>&)> create_solver)
 {
   /*
    * A1 -> B, k1
@@ -241,11 +242,8 @@ TEST(AnalyticalExamples, TroeSuperStiffButAnalytical)
                          .rate_constant(micm::ArrheniusRateConstant({ .A_ = 0.9 * 4.0e10 }))
                          .phase(gas_phase);
 
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2, r3, r4, r5 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
+  OdeSolverPolicy solver = create_solver(
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::vector<micm::Process>{ r1, r2, r3, r4, r5 });
 
   double temperature = 272.5;
   double pressure = 101253.3;
@@ -264,7 +262,7 @@ TEST(AnalyticalExamples, TroeSuperStiffButAnalytical)
               std::pow(0.9, 1.0 / (1.0 + (1.0 / 0.8) * std::pow(std::log10(k_0 * air_density / k_inf), 2)));
 
   double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(4));
   std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
@@ -325,7 +323,9 @@ TEST(AnalyticalExamples, TroeSuperStiffButAnalytical)
   }
 }
 
-TEST(AnalyticalExamples, Photolysis)
+template<class OdeSolverPolicy>
+void test_analytical_photolysis(
+    const std::function<OdeSolverPolicy(const micm::System&, const std::vector<micm::Process>&)> create_solver)
 {
   /*
    * A -> B, k1
@@ -352,11 +352,8 @@ TEST(AnalyticalExamples, Photolysis)
                          .rate_constant(micm::UserDefinedRateConstant({ .label_ = "photoB" }))
                          .phase(gas_phase);
 
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
+  OdeSolverPolicy solver =
+      create_solver(micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::vector<micm::Process>{ r1, r2 });
 
   double temperature = 272.5;
   double pressure = 101253.3;
@@ -369,7 +366,7 @@ TEST(AnalyticalExamples, Photolysis)
   double k2 = 3e-3;
 
   double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   state.SetCustomRateParameter("photoA", k1);
   state.SetCustomRateParameter("photoB", k2);
@@ -432,7 +429,9 @@ TEST(AnalyticalExamples, Photolysis)
   }
 }
 
-TEST(AnalyticalExamples, PhotolysisSuperStiffButAnalytical)
+template<class OdeSolverPolicy>
+void test_analytical_stiff_photolysis(
+    const std::function<OdeSolverPolicy(const micm::System&, const std::vector<micm::Process>&)> create_solver)
 {
   /*
    * A1 -> B, k1
@@ -480,11 +479,8 @@ TEST(AnalyticalExamples, PhotolysisSuperStiffButAnalytical)
                          .rate_constant(micm::ArrheniusRateConstant({ .A_ = 0.9 * 4.0e10 }))
                          .phase(gas_phase);
 
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2, r3, r4, r5 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
+  OdeSolverPolicy solver = create_solver(
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::vector<micm::Process>{ r1, r2, r3, r4, r5 });
 
   double temperature = 272.5;
   double pressure = 101253.3;
@@ -497,7 +493,7 @@ TEST(AnalyticalExamples, PhotolysisSuperStiffButAnalytical)
   double k2 = 3e-3;
 
   double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   state.SetCustomRateParameter("photoA1B", k1);
   state.SetCustomRateParameter("photoA2B", k1);
@@ -563,7 +559,9 @@ TEST(AnalyticalExamples, PhotolysisSuperStiffButAnalytical)
   }
 }
 
-TEST(AnalyticalExamples, TernaryChemicalActivation)
+template<class OdeSolverPolicy>
+void test_analytical_ternary_chemical_activation(
+    const std::function<OdeSolverPolicy(const micm::System&, const std::vector<micm::Process>&)> create_solver)
 {
   /*
    * A -> B, k1
@@ -598,11 +596,8 @@ TEST(AnalyticalExamples, TernaryChemicalActivation)
                                                                                       .N_ = 0.8 }))
                          .phase(gas_phase);
 
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
+  OdeSolverPolicy solver =
+      create_solver(micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::vector<micm::Process>{ r1, r2 });
 
   double temperature = 272.5;
   double pressure = 101253.3;
@@ -621,7 +616,7 @@ TEST(AnalyticalExamples, TernaryChemicalActivation)
               std::pow(0.9, 1.0 / (1.0 + (1.0 / 0.8) * std::pow(std::log10(k_0 * air_density / k_inf), 2)));
 
   double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(3));
   std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
@@ -681,7 +676,9 @@ TEST(AnalyticalExamples, TernaryChemicalActivation)
   }
 }
 
-TEST(AnalyticalExamples, TernaryChemicalActivationSuperStiffButAnalytical)
+template<class OdeSolverPolicy>
+void test_analytical_stiff_ternary_chemical_activation(
+    const std::function<OdeSolverPolicy(const micm::System&, const std::vector<micm::Process>&)> create_solver)
 {
   /*
    * A1 -> B, k1
@@ -736,11 +733,8 @@ TEST(AnalyticalExamples, TernaryChemicalActivationSuperStiffButAnalytical)
                          .rate_constant(micm::ArrheniusRateConstant({ .A_ = 0.9 * 4.0e10 }))
                          .phase(gas_phase);
 
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2, r3, r4, r5 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
+  OdeSolverPolicy solver = create_solver(
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::vector<micm::Process>{ r1, r2, r3, r4, r5 });
 
   double temperature = 272.5;
   double pressure = 101253.3;
@@ -759,7 +753,7 @@ TEST(AnalyticalExamples, TernaryChemicalActivationSuperStiffButAnalytical)
               std::pow(0.9, 1.0 / (1.0 + (1.0 / 0.8) * std::pow(std::log10(k_0 * air_density / k_inf), 2)));
 
   double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(4));
   std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
@@ -820,7 +814,9 @@ TEST(AnalyticalExamples, TernaryChemicalActivationSuperStiffButAnalytical)
   }
 }
 
-TEST(AnalyticalExamples, Tunneling)
+template<class OdeSolverPolicy>
+void test_analytical_tunneling(
+    const std::function<OdeSolverPolicy(const micm::System&, const std::vector<micm::Process>&)> create_solver)
 {
   /*
    * A -> B, k1
@@ -848,11 +844,8 @@ TEST(AnalyticalExamples, Tunneling)
                          .rate_constant(micm::TunnelingRateConstant({ .A_ = 1.2e-4, .B_ = 167, .C_ = 1.0e8 }))
                          .phase(gas_phase);
 
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
+  OdeSolverPolicy solver =
+      create_solver(micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::vector<micm::Process>{ r1, r2 });
 
   double temperature = 272.5;
   double pressure = 101253.3;
@@ -865,7 +858,7 @@ TEST(AnalyticalExamples, Tunneling)
   double k2 = 1.2e-4 * std::exp(-167 / temperature + 1.0e8 / std::pow(temperature, 3));
 
   double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(3));
   std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
@@ -925,7 +918,9 @@ TEST(AnalyticalExamples, Tunneling)
   }
 }
 
-TEST(AnalyticalExamples, TunnelingSuperStiffButAnalytical)
+template<class OdeSolverPolicy>
+void test_analytical_stiff_tunneling(
+    const std::function<OdeSolverPolicy(const micm::System&, const std::vector<micm::Process>&)> create_solver)
 {
   /*
    * A1 -> B, k1
@@ -973,11 +968,8 @@ TEST(AnalyticalExamples, TunnelingSuperStiffButAnalytical)
                          .rate_constant(micm::ArrheniusRateConstant({ .A_ = 0.9 * 4.0e10 }))
                          .phase(gas_phase);
 
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2, r3, r4, r5 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
+  OdeSolverPolicy solver = create_solver(
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::vector<micm::Process>{ r1, r2, r3, r4, r5 });
 
   double temperature = 272.5;
   double pressure = 101253.3;
@@ -990,7 +982,7 @@ TEST(AnalyticalExamples, TunnelingSuperStiffButAnalytical)
   double k2 = 1.2e-4 * std::exp(-167 / temperature + 1.0e8 / std::pow(temperature, 3));
 
   double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(4));
   std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
@@ -1054,7 +1046,9 @@ TEST(AnalyticalExamples, TunnelingSuperStiffButAnalytical)
   }
 }
 
-TEST(AnalyticalExamples, Arrhenius)
+template<class OdeSolverPolicy>
+void test_analytical_arrhenius(
+    const std::function<OdeSolverPolicy(const micm::System&, const std::vector<micm::Process>&)> create_solver)
 {
   /*
    * A -> B, k1
@@ -1081,11 +1075,8 @@ TEST(AnalyticalExamples, Arrhenius)
           .rate_constant(micm::ArrheniusRateConstant({ .A_ = 1.2e-4, .B_ = 7, .C_ = 75, .D_ = 50, .E_ = 0.5 }))
           .phase(gas_phase);
 
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
+  OdeSolverPolicy solver =
+      create_solver(micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::vector<micm::Process>{ r1, r2 });
 
   double temperature = 272.5;
   double pressure = 101253.3;
@@ -1098,7 +1089,7 @@ TEST(AnalyticalExamples, Arrhenius)
   double k2 = 1.2e-4 * std::exp(75 / temperature) * std::pow(temperature / 50, 7) * (1.0 + 0.5 * pressure);
 
   double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(3));
   std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
@@ -1158,7 +1149,9 @@ TEST(AnalyticalExamples, Arrhenius)
   }
 }
 
-TEST(AnalyticalExamples, ArrheniusSuperStiffButAnalytical)
+template<class OdeSolverPolicy>
+void test_analytical_stiff_arrhenius(
+    const std::function<OdeSolverPolicy(const micm::System&, const std::vector<micm::Process>&)> create_solver)
 {
   /*
    * A1 -> B, k1
@@ -1207,11 +1200,8 @@ TEST(AnalyticalExamples, ArrheniusSuperStiffButAnalytical)
                          .rate_constant(micm::ArrheniusRateConstant({ .A_ = 0.9 * 4.0e10 }))
                          .phase(gas_phase);
 
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2, r3, r4, r5 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
+  OdeSolverPolicy solver = create_solver(
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::vector<micm::Process>{ r1, r2, r3, r4, r5 });
 
   double temperature = 272.5;
   double pressure = 101253.3;
@@ -1224,7 +1214,7 @@ TEST(AnalyticalExamples, ArrheniusSuperStiffButAnalytical)
   double k2 = 1.2e-4 * std::exp(75 / temperature) * std::pow(temperature / 50, 167) * (1.0 + 0.5 * pressure);
 
   double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(4));
   std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
@@ -1288,7 +1278,9 @@ TEST(AnalyticalExamples, ArrheniusSuperStiffButAnalytical)
   }
 }
 
-TEST(AnalyticalExamples, Branched)
+template<class OdeSolverPolicy>
+void test_analytical_branched(
+    const std::function<OdeSolverPolicy(const micm::System&, const std::vector<micm::Process>&)> create_solver)
 {
   /*
    * A -> B, k1
@@ -1325,11 +1317,8 @@ TEST(AnalyticalExamples, Branched)
                                                       .n_ = 2 }))
           .phase(gas_phase);
 
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
+  OdeSolverPolicy solver =
+      create_solver(micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::vector<micm::Process>{ r1, r2 });
 
   double temperature = 272.5;
   double pressure = 101253.3;
@@ -1357,7 +1346,7 @@ TEST(AnalyticalExamples, Branched)
   double k2 = 1.2 * std::exp(-204.3 / temperature) * (A / (z + A));
 
   double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(3));
   std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
@@ -1417,7 +1406,9 @@ TEST(AnalyticalExamples, Branched)
   }
 }
 
-TEST(AnalyticalExamples, BranchedSuperStiffButAnalytical)
+template<class OdeSolverPolicy>
+void test_analytical_stiff_branched(
+    const std::function<OdeSolverPolicy(const micm::System&, const std::vector<micm::Process>&)> create_solver)
 {
   /*
    * A1 -> B, k1
@@ -1480,11 +1471,8 @@ TEST(AnalyticalExamples, BranchedSuperStiffButAnalytical)
                          .rate_constant(micm::ArrheniusRateConstant({ .A_ = 0.9 * 4.0e10 }))
                          .phase(gas_phase);
 
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2, r3, r4, r5 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
+  OdeSolverPolicy solver = create_solver(
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::vector<micm::Process>{ r1, r2, r3, r4, r5 });
 
   double temperature = 272.5;
   double pressure = 101253.3;
@@ -1512,7 +1500,7 @@ TEST(AnalyticalExamples, BranchedSuperStiffButAnalytical)
   double k2 = 1.2 * std::exp(-204.3 / temperature) * (A / (z + A));
 
   double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(4));
   std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
@@ -1576,7 +1564,9 @@ TEST(AnalyticalExamples, BranchedSuperStiffButAnalytical)
   }
 }
 
-TEST(AnalyticalExamples, Robertson)
+template<class OdeSolverPolicy>
+void test_analytical_robertson(
+    const std::function<OdeSolverPolicy(const micm::System&, const std::vector<micm::Process>&)> create_solver)
 {
   /*
    * A -> B, k1 = 0.04
@@ -1615,17 +1605,14 @@ TEST(AnalyticalExamples, Robertson)
                          .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r3" }))
                          .phase(gas_phase);
 
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2, r3 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
+  OdeSolverPolicy solver = create_solver(
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::vector<micm::Process>{ r1, r2, r3 });
 
   double temperature = 272.5;
   double pressure = 101253.3;
   double air_density = 1e6;
 
-  micm::State<micm::Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   double k1 = 0.04;
   double k2 = 3e7;
@@ -1700,501 +1687,4 @@ TEST(AnalyticalExamples, Robertson)
     EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], tol)
         << "Arrays differ at index (" << i << ", " << 2 << ")";
   }
-}
-
-TEST(AnalyticalExamples, Oregonator)
-{
-  /*
-   * I think these are the equations, but I'm really not sure. I don't know how this translates to the jacobian
-   * and forcing functions used by the ODE book: https://www.unige.ch/~hairer/testset/stiff/orego/equation.f
-   * A+Y -> X+P
-   * X+Y -> 2P
-   * A+X -> 2X+2Z
-   * 2X -> A+P
-   * B+Z -> 1/2fY
-   *
-   * this problem is described in
-   * Hairer, E., Wanner, G., 1996. Solving Ordinary Differential Equations II: Stiff and Differential-Algebraic Problems, 2nd
-   * edition. ed. Springer, Berlin ; New York. Page 3
-   *
-   * solutions are provided here
-   * https://www.unige.ch/~hairer/testset/testset.html
-   */
-
-  auto a = micm::Species("A");
-  auto b = micm::Species("B");
-  auto c = micm::Species("C");
-
-  micm::Phase gas_phase{ std::vector<micm::Species>{ a, b, c } };
-
-  micm::Process r1 = micm::Process::create()
-                         .reactants({ a })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r1" }))
-                         .phase(gas_phase);
-
-  micm::Process r2 = micm::Process::create()
-                         .reactants({ b })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r2" }))
-                         .phase(gas_phase);
-
-  micm::Process r3 = micm::Process::create()
-                         .reactants({ b })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r3" }))
-                         .phase(gas_phase);
-
-  auto params = micm::RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters();
-  params.relative_tolerance_ = 1e-4;
-  params.absolute_tolerance_ = 1e-6 * params.relative_tolerance_;
-  Oregonator<micm::Matrix, SparseMatrixTest> solver(
-      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::vector<micm::Process>{ r1, r2, r3 }, params);
-
-  double end = 360;
-  double time_step = 30;
-  size_t N = static_cast<size_t>(end / time_step);
-
-  std::vector<std::vector<double>> model_concentrations(N + 1, std::vector<double>(3));
-  std::vector<std::vector<double>> analytical_concentrations(13, std::vector<double>(3));
-
-  model_concentrations[0] = { 1, 2, 3 };
-
-  analytical_concentrations = {
-    { 1, 2, 3 },
-    { 0.1000661467180497E+01, 0.1512778937348249E+04, 0.1035854312767229E+05 },
-    { 0.1000874625199626E+01, 0.1144336972384497E+04, 0.8372149966624639E+02 },
-    { 0.1001890368438751E+01, 0.5299926232295553E+03, 0.1662279579042420E+01 },
-    { 0.1004118022612645E+01, 0.2438326079910346E+03, 0.1008822224048647E+01 },
-    { 0.1008995416634061E+01, 0.1121664388662539E+03, 0.1007783229065319E+01 },
-    { 0.1019763472537298E+01, 0.5159761322947535E+02, 0.1016985778956374E+01 },
-    { 0.1043985088527474E+01, 0.2373442027531524E+02, 0.1037691843544522E+01 },
-    { 0.1100849071667922E+01, 0.1091533805469020E+02, 0.1085831969810860E+01 },
-    { 0.1249102130020572E+01, 0.5013945178605446E+01, 0.1208326626237875E+01 },
-    { 0.1779724751937019E+01, 0.2281852385542403E+01, 0.1613754023671725E+01 },
-    { 0.1000889326903503E+01, 0.1125438585746596E+04, 0.1641049483777168E+05 },
-    { 0.1000814870318523E+01, 0.1228178521549889E+04, 0.1320554942846513E+03 },
-  };
-
-  micm::State<micm::Matrix> state = solver.GetState();
-
-  state.variables_[0] = model_concentrations[0];
-
-  std::vector<double> times;
-  times.push_back(0);
-  for (size_t i_time = 0; i_time < N; ++i_time)
-  {
-    double solve_time = time_step + i_time * time_step;
-    times.push_back(solve_time);
-    // Model results
-    double actual_solve = 0;
-    while (actual_solve < time_step)
-    {
-      auto result = solver.Solve(time_step - actual_solve, state);
-      state.variables_[0] = result.result_.AsVector();
-      actual_solve += result.final_time_;
-    }
-    model_concentrations[i_time + 1] = state.variables_[0];
-  }
-
-  std::vector<std::string> header = { "time", "A", "B", "C" };
-  writeCSV("model_concentrations.csv", header, model_concentrations, times);
-  std::vector<double> an_times;
-  an_times.push_back(0);
-  for (int i = 1; i <= 12; ++i)
-  {
-    an_times.push_back(30 * i);
-  }
-  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, an_times);
-
-  auto map = state.variable_map_;
-
-  size_t _a = map.at("A");
-  size_t _b = map.at("B");
-  size_t _c = map.at("C");
-
-  double tol = 1e-3;
-  for (size_t i = 0; i < model_concentrations.size(); ++i)
-  {
-    double rel_diff = relative_difference(model_concentrations[i][_a], analytical_concentrations[i][0]);
-    EXPECT_TRUE(rel_diff < tol) << "Arrays differ at index (" << i << ", " << 0 << ")";
-    rel_diff = relative_difference(model_concentrations[i][_b], analytical_concentrations[i][1]);
-    EXPECT_TRUE(rel_diff < tol) << "Arrays differ at index (" << i << ", " << 1 << ")";
-    rel_diff = relative_difference(model_concentrations[i][_c], analytical_concentrations[i][2]);
-    EXPECT_TRUE(rel_diff < tol) << "Arrays differ at index (" << i << ", " << 2 << ")";
-  }
-}
-
-TEST(AnalyticalExamples, Oregonator2)
-{
-  /* Equations derived from the forcing function here: https://www.unige.ch/~hairer/testset/stiff/orego/equation.f
-   * a + b -> ( 1 - (1/77.27)^2 ) b    k = 77.27
-   * c -> ( 1 / (0.161 * 77.27) ) b    k = 0.161
-   * b -> ( 77.27 )^2 a                k = 1/77.27
-   * a -> 2 a + ( 0.161/77.27 ) c      k = 77.27
-   * a + a -> NULL                     k = 77.27 * 8.375e-6
-   *
-   * this problem is described in
-   * Hairer, E., Wanner, G., 1996. Solving Ordinary Differential Equations II: Stiff and Differential-Algebraic Problems, 2nd
-   * edition. ed. Springer, Berlin ; New York. Page 3
-   *
-   * solutions are provided here
-   * https://www.unige.ch/~hairer/testset/testset.html
-   */
-
-  auto a = micm::Species("A");
-  auto b = micm::Species("B");
-  auto c = micm::Species("C");
-
-  micm::Phase gas_phase{ std::vector<micm::Species>{ a, b, c } };
-
-  micm::Process r1 = micm::Process::create()
-                         .reactants({ a, b })
-                         .products({ yields(b, 1 - std::pow((1 / 77.27), 2)) })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r1" }))
-                         .phase(gas_phase);
-
-  micm::Process r2 = micm::Process::create()
-                         .reactants({ c })
-                         .products({ yields(b, 1 / (0.161 * 77.27)) })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r2" }))
-                         .phase(gas_phase);
-
-  micm::Process r3 = micm::Process::create()
-                         .reactants({ b })
-                         .products({ yields(a, std::pow(77.27, 2)) })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r3" }))
-                         .phase(gas_phase);
-
-  micm::Process r4 = micm::Process::create()
-                         .reactants({ a })
-                         .products({ yields(a, 2), yields(c, 0.161 / 77.27) })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r4" }))
-                         .phase(gas_phase);
-
-  micm::Process r5 = micm::Process::create()
-                         .reactants({ a, a })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r5" }))
-                         .phase(gas_phase);
-
-  auto params = micm::RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters();
-  params.relative_tolerance_ = 1e-4;
-  params.absolute_tolerance_ = 1e-6 * params.relative_tolerance_;
-  Oregonator<micm::Matrix, SparseMatrixTest> solver(
-      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-      std::vector<micm::Process>{ r1, r2, r3, r4, r5 },
-      params);
-
-  double end = 360;
-  double time_step = 30;
-  size_t N = static_cast<size_t>(end / time_step);
-
-  std::vector<std::vector<double>> model_concentrations(N + 1, std::vector<double>(3));
-  std::vector<std::vector<double>> analytical_concentrations(13, std::vector<double>(3));
-
-  model_concentrations[0] = { 1, 2, 3 };
-
-  analytical_concentrations = {
-    { 1, 2, 3 },
-    { 0.1000661467180497E+01, 0.1512778937348249E+04, 0.1035854312767229E+05 },
-    { 0.1000874625199626E+01, 0.1144336972384497E+04, 0.8372149966624639E+02 },
-    { 0.1001890368438751E+01, 0.5299926232295553E+03, 0.1662279579042420E+01 },
-    { 0.1004118022612645E+01, 0.2438326079910346E+03, 0.1008822224048647E+01 },
-    { 0.1008995416634061E+01, 0.1121664388662539E+03, 0.1007783229065319E+01 },
-    { 0.1019763472537298E+01, 0.5159761322947535E+02, 0.1016985778956374E+01 },
-    { 0.1043985088527474E+01, 0.2373442027531524E+02, 0.1037691843544522E+01 },
-    { 0.1100849071667922E+01, 0.1091533805469020E+02, 0.1085831969810860E+01 },
-    { 0.1249102130020572E+01, 0.5013945178605446E+01, 0.1208326626237875E+01 },
-    { 0.1779724751937019E+01, 0.2281852385542403E+01, 0.1613754023671725E+01 },
-    { 0.1000889326903503E+01, 0.1125438585746596E+04, 0.1641049483777168E+05 },
-    { 0.1000814870318523E+01, 0.1228178521549889E+04, 0.1320554942846513E+03 },
-  };
-
-  micm::State<micm::Matrix> state = solver.GetState();
-
-  double k1 = 77.27;
-  double k2 = 0.161;
-  double k3 = 1 / 77.27;
-  double k4 = 77.27;
-  double k5 = 77.27 * 8.375e-6;
-
-  state.SetCustomRateParameter("r1", k1);
-  state.SetCustomRateParameter("r2", k2);
-  state.SetCustomRateParameter("r3", k3);
-  state.SetCustomRateParameter("r4", k4);
-  state.SetCustomRateParameter("r5", k5);
-
-  state.variables_[0] = model_concentrations[0];
-
-  std::vector<double> times;
-  times.push_back(0);
-  for (size_t i_time = 0; i_time < N; ++i_time)
-  {
-    double solve_time = time_step + i_time * time_step;
-    times.push_back(solve_time);
-    // Model results
-    double actual_solve = 0;
-    while (actual_solve < time_step)
-    {
-      auto result = solver.Solve(time_step - actual_solve, state);
-      state.variables_[0] = result.result_.AsVector();
-      actual_solve += result.final_time_;
-    }
-    model_concentrations[i_time + 1] = state.variables_[0];
-  }
-
-  std::vector<std::string> header = { "time", "A", "B", "C" };
-  writeCSV("model_concentrations.csv", header, model_concentrations, times);
-  std::vector<double> an_times;
-  an_times.push_back(0);
-  for (int i = 1; i <= 12; ++i)
-  {
-    an_times.push_back(30 * i);
-  }
-  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, an_times);
-
-  auto map = state.variable_map_;
-
-  size_t _a = map.at("A");
-  size_t _b = map.at("B");
-  size_t _c = map.at("C");
-
-  double tol = 1e-3;
-  for (size_t i = 0; i < model_concentrations.size(); ++i)
-  {
-    double rel_diff = relative_difference(model_concentrations[i][_a], analytical_concentrations[i][0]);
-    EXPECT_TRUE(rel_diff < tol) << "Arrays differ at index (" << i << ", " << 0 << ")";
-    rel_diff = relative_difference(model_concentrations[i][_b], analytical_concentrations[i][1]);
-    EXPECT_TRUE(rel_diff < tol) << "Arrays differ at index (" << i << ", " << 1 << ")";
-    rel_diff = relative_difference(model_concentrations[i][_c], analytical_concentrations[i][2]);
-    EXPECT_TRUE(rel_diff < tol) << "Arrays differ at index (" << i << ", " << 2 << ")";
-  }
-}
-
-TEST(AnalyticalExamples, HIRES)
-{
-  /*
-   * No idea what these equations are
-   *
-   * this problem is described in
-   * Hairer, E., Wanner, G., 1996. Solving Ordinary Differential Equations II: Stiff and Differential-Algebraic Problems, 2nd
-   * edition. ed. Springer, Berlin ; New York. Page 3
-   *
-   * solutions are provided here
-   * https://www.unige.ch/~hairer/testset/testset.html
-   */
-
-  auto y1 = micm::Species("y1");
-  auto y2 = micm::Species("y2");
-  auto y3 = micm::Species("y3");
-  auto y4 = micm::Species("y4");
-  auto y5 = micm::Species("y5");
-  auto y6 = micm::Species("y6");
-  auto y7 = micm::Species("y7");
-  auto y8 = micm::Species("y8");
-
-  micm::Phase gas_phase{ std::vector<micm::Species>{ y1, y2, y3, y4, y5, y6, y7, y8 } };
-
-  micm::Process r1 = micm::Process::create()
-                         .reactants({ y1 })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r1" }))
-                         .phase(gas_phase);
-  micm::Process r2 = micm::Process::create()
-                         .reactants({ y2 })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r2" }))
-                         .phase(gas_phase);
-  micm::Process r3 = micm::Process::create()
-                         .reactants({ y3 })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r3" }))
-                         .phase(gas_phase);
-  micm::Process r4 = micm::Process::create()
-                         .reactants({ y4 })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r4" }))
-                         .phase(gas_phase);
-  micm::Process r5 = micm::Process::create()
-                         .reactants({ y5 })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r5" }))
-                         .phase(gas_phase);
-  micm::Process r6 = micm::Process::create()
-                         .reactants({ y6 })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r6" }))
-                         .phase(gas_phase);
-  micm::Process r7 = micm::Process::create()
-                         .reactants({ y7 })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r7" }))
-                         .phase(gas_phase);
-  micm::Process r8 = micm::Process::create()
-                         .reactants({ y8 })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r8" }))
-                         .phase(gas_phase);
-
-  auto params = micm::RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters();
-  params.relative_tolerance_ = 1e-3;
-  params.absolute_tolerance_ = params.relative_tolerance_ * 1e-4;
-  HIRES<micm::Matrix, SparseMatrixTest> solver(
-      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-      std::vector<micm::Process>{ r1, r2, r3, r4, r5, r6, r7, r8 },
-      params);
-
-  size_t N = 2;
-
-  std::vector<std::vector<double>> model_concentrations(N + 1, std::vector<double>(8));
-  std::vector<std::vector<double>> analytical_concentrations(3, std::vector<double>(8));
-
-  model_concentrations[0] = { 1, 0, 0, 0, 0, 0, 0, 0.0057 };
-
-  analytical_concentrations = {
-    { 1, 0, 0, 0, 0, 0, 0, 0.0057 },
-    { 0.000737131257332567,
-      0.000144248572631618,
-      0.000058887297409676,
-      0.001175651343283149,
-      0.002386356198831330,
-      0.006238968252742796,
-      0.002849998395185769,
-      0.002850001604814231 },
-    { 0.000670305503581864,
-      0.000130996846986347,
-      0.000046862231597733,
-      0.001044668020551705,
-      0.000594883830951485,
-      0.001399628833942774,
-      0.001014492757718480,
-      0.004685507242281520 },
-  };
-
-  micm::State<micm::Matrix> state = solver.GetState();
-
-  state.variables_[0] = model_concentrations[0];
-
-  std::vector<double> times;
-  times.push_back(0);
-  double time_step = 321.8122;
-  for (size_t i_time = 0; i_time < N; ++i_time)
-  {
-    double solve_time = time_step + i_time * time_step;
-    times.push_back(solve_time);
-    // Model results
-    double actual_solve = 0;
-    while (actual_solve < time_step)
-    {
-      auto result = solver.Solve(time_step - actual_solve, state);
-      state.variables_[0] = result.result_.AsVector();
-      actual_solve += result.final_time_;
-    }
-    model_concentrations[i_time + 1] = state.variables_[0];
-    time_step += 100;
-  }
-
-  std::vector<std::string> header = { "time", "y1", "y2", "y3", "y4", "y5", "y6", "y7", "y8" };
-  writeCSV("model_concentrations.csv", header, model_concentrations, times);
-  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, times);
-
-  double tol = 1e-5;
-  for (size_t i = 0; i < model_concentrations.size(); ++i)
-  {
-    for (size_t j = 0; j < model_concentrations[0].size(); ++j)
-    {
-      double rel_diff = relative_difference(model_concentrations[i][j], analytical_concentrations[i][j]);
-      EXPECT_NEAR(model_concentrations[i][j], analytical_concentrations[i][j], tol);
-    }
-  }
-}
-
-TEST(AnalyticalExamples, E5)
-{
-  /*
-   * No idea what these equations are
-   *
-   * this problem is described in
-   * Hairer, E., Wanner, G., 1996. Solving Ordinary Differential Equations II: Stiff and Differential-Algebraic Problems, 2nd
-   * edition. ed. Springer, Berlin ; New York. Page 3
-   *
-   * solutions are provided here
-   * https://www.unige.ch/~hairer/testset/testset.html
-   */
-
-  auto y1 = micm::Species("y1");
-  auto y2 = micm::Species("y2");
-  auto y3 = micm::Species("y3");
-  auto y4 = micm::Species("y4");
-
-  micm::Phase gas_phase{ std::vector<micm::Species>{ y1, y2, y3, y4 } };
-
-  micm::Process r1 = micm::Process::create()
-                         .reactants({ y1 })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r1" }))
-                         .phase(gas_phase);
-  micm::Process r2 = micm::Process::create()
-                         .reactants({ y2 })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r2" }))
-                         .phase(gas_phase);
-  micm::Process r3 = micm::Process::create()
-                         .reactants({ y3 })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r3" }))
-                         .phase(gas_phase);
-  micm::Process r4 = micm::Process::create()
-                         .reactants({ y4 })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r4" }))
-                         .phase(gas_phase);
-
-  auto params = micm::RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters();
-  params.relative_tolerance_ = 1e-2;
-  params.absolute_tolerance_ = 1.7e-24;
-  E5<micm::Matrix, SparseMatrixTest> solver(
-      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::vector<micm::Process>{ r1, r2, r3, r4 }, params);
-
-  size_t N = 7;
-
-  std::vector<std::vector<double>> model_concentrations(N + 1, std::vector<double>(4));
-  std::vector<std::vector<double>> analytical_concentrations(N + 1, std::vector<double>(4));
-
-  model_concentrations[0] = { 1.76e-3, 0, 0, 0 };
-
-  analytical_concentrations = {
-    { 1.76e-3, 0, 0, 0 },
-    { 1.7599259497677897058e-003, 1.3846281519376516449e-011, 7.6370038530073911180e-013, 1.3082581134075777338e-011 },
-    { 1.6180769999072942552e-003, 1.3822370304983735443e-010, 8.2515735006838336088e-012, 1.2997212954915352082e-010 },
-    { 7.4813208224292220114e-006, 2.3734781561205975019e-012, 2.2123586689581663654e-012, 1.6111948716243113653e-013 },
-    { 4.7150333630401632232e-010, 1.8188895860807021729e-014, 1.8188812376786725407e-014, 8.3484020296321693074e-020 },
-    { 3.1317148329356996037e-014, 1.4840957952870064294e-016, 1.4840957948345691466e-016, 4.5243728279782625194e-026 },
-    { 3.8139035189787091771e-049, 1.0192582567660293322e-020, 1.0192582567660293322e-020, 3.7844935507486221171e-065 },
-    { 0.0000000000000000000e-000, 8.8612334976263783420e-023, 8.8612334976263783421e-023, 0.0000000000000000000e-000 }
-  };
-
-  micm::State<micm::Matrix> state = solver.GetState();
-
-  state.variables_[0] = model_concentrations[0];
-
-  std::vector<double> times;
-  times.push_back(0);
-  double time_step = 10;
-  for (size_t i_time = 0; i_time < N; ++i_time)
-  {
-    double solve_time = time_step + i_time * time_step;
-    times.push_back(solve_time);
-    // Model results
-    double actual_solve = 0;
-    while (actual_solve < time_step)
-    {
-      auto result = solver.Solve(time_step - actual_solve, state);
-      state.variables_[0] = result.result_.AsVector();
-      actual_solve += result.final_time_;
-    }
-    model_concentrations[i_time + 1] = state.variables_[0];
-    time_step *= 100;
-  }
-
-  std::vector<std::string> header = { "time", "y1", "y2", "y3", "y4" };
-  writeCSV("model_concentrations.csv", header, model_concentrations, times);
-  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, times);
-
-  double tol = 1e-5;
-  for (size_t i = 0; i < model_concentrations.size(); ++i)
-  {
-    for (size_t j = 0; j < model_concentrations[0].size(); ++j)
-    {
-      double rel_diff = relative_difference(model_concentrations[i][j], analytical_concentrations[i][j]);
-      EXPECT_NEAR(model_concentrations[i][j], analytical_concentrations[i][j], tol)
-          << "difference at (" << i << ", " << j << ")";
-    }
-  }
-}
-#endif
\ No newline at end of file
+}
\ No newline at end of file
diff --git a/test/integration/analytical_rosenbrock.cpp b/test/integration/analytical_rosenbrock.cpp
index 19e50d5a2..83dae3188 100644
--- a/test/integration/analytical_rosenbrock.cpp
+++ b/test/integration/analytical_rosenbrock.cpp
@@ -25,1518 +25,146 @@ TEST(AnalyticalExamples, Troe)
 
 TEST(AnalyticalExamples, TroeSuperStiffButAnalytical)
 {
-  /*
-   * A1 -> B, k1
-   * A2 -> B, k1
-   * A1 -> A2, k3 >>> k1
-   * A2 -> A1, k4 >>> k1
-   * B -> C, k2
-   *
-   */
-
-  auto a1 = micm::Species("A1");
-  auto a2 = micm::Species("A2");
-  auto b = micm::Species("B");
-  auto c = micm::Species("C");
-
-  micm::Phase gas_phase{ std::vector<micm::Species>{ a1, a2, b, c } };
-
-  micm::Process r1 = micm::Process::create()
-                         .reactants({ a1 })
-                         .products({ yields(b, 1) })
-                         .rate_constant(micm::TroeRateConstant({ .k0_A_ = 4.0e-10 }))
-                         .phase(gas_phase);
-
-  micm::Process r2 = micm::Process::create()
-                         .reactants({ a2 })
-                         .products({ yields(b, 1) })
-                         .rate_constant(micm::TroeRateConstant({ .k0_A_ = 4.0e-10 }))
-                         .phase(gas_phase);
-
-  micm::Process r3 = micm::Process::create()
-                         .reactants({ b })
-                         .products({ yields(c, 1) })
-                         .rate_constant(micm::TroeRateConstant({ .k0_A_ = 1.2e-3,
-                                                                 .k0_B_ = 167,
-                                                                 .k0_C_ = 3,
-                                                                 .kinf_A_ = 136,
-                                                                 .kinf_B_ = 5,
-                                                                 .kinf_C_ = 24,
-                                                                 .Fc_ = 0.9,
-                                                                 .N_ = 0.8 }))
-                         .phase(gas_phase);
-
-  micm::Process r4 = micm::Process::create()
-                         .reactants({ a1 })
-                         .products({ yields(a2, 1) })
-                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 4.0e10 }))
-                         .phase(gas_phase);
-
-  micm::Process r5 = micm::Process::create()
-                         .reactants({ a2 })
-                         .products({ yields(a1, 1) })
-                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 0.9 * 4.0e10 }))
-                         .phase(gas_phase);
-
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2, r3, r4, r5 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
-
-  double temperature = 272.5;
-  double pressure = 101253.3;
-  double air_density = 1e6;
-
-  // A->B reaction rate
-  double k_0 = 4.0e-10;
-  double k_inf = 1;
-  double k1 = k_0 * air_density / (1.0 + k_0 * air_density / k_inf) *
-              std::pow(0.6, 1.0 / (1.0 + (1.0 / 1.0) * std::pow(std::log10(k_0 * air_density / k_inf), 2)));
-
-  // B->C reaction rate
-  k_0 = 1.2e-3 * std::exp(3.0 / temperature) * std::pow(temperature / 300.0, 167.0);
-  k_inf = 136.0 * std::exp(24.0 / temperature) * std::pow(temperature / 300.0, 5.0);
-  double k2 = k_0 * air_density / (1.0 + k_0 * air_density / k_inf) *
-              std::pow(0.9, 1.0 / (1.0 + (1.0 / 0.8) * std::pow(std::log10(k_0 * air_density / k_inf), 2)));
-
-  double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
-
-  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(4));
-  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
-
-  state.SetConcentration(a1, 0.5);
-  state.SetConcentration(a2, 0.5);
-  state.SetConcentration(b, 0.0);
-  state.SetConcentration(c, 0.0);
-
-  model_concentrations[0] = state.variables_[0];
-  analytical_concentrations[0] = { 1, 0, 0 };
-
-  state.variables_[0] = model_concentrations[0];
-  state.conditions_[0].temperature_ = temperature;
-  state.conditions_[0].pressure_ = pressure;
-  state.conditions_[0].air_density_ = air_density;
-
-  size_t idx_A = 0, idx_B = 1, idx_C = 2;
-
-  std::vector<double> times;
-  times.push_back(0);
-  for (size_t i_time = 1; i_time < nsteps; ++i_time)
-  {
-    times.push_back(time_step);
-    // Model results
-    auto result = solver.Solve(time_step, state);
-    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
-    model_concentrations[i_time] = result.result_.AsVector();
-    state.variables_[0] = result.result_.AsVector();
-
-    // Analytical results
-    double time = i_time * time_step;
-
-    double initial_A = analytical_concentrations[0][idx_A];
-    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
-    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
-
-    analytical_concentrations[i_time][idx_C] =
-        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
-  }
-
-  auto header = state.variable_names_;
-  header.insert(header.begin(), "time");
-  writeCSV("stiff_model_concentrations.csv", header, model_concentrations, times);
-
-  auto map = state.variable_map_;
-
-  size_t _a1 = map.at("A1");
-  size_t _a2 = map.at("A2");
-  size_t _b = map.at("B");
-  size_t _c = map.at("C");
-
-  for (size_t i = 0; i < model_concentrations.size(); ++i)
-  {
-    EXPECT_NEAR(model_concentrations[i][_a1] + model_concentrations[i][_a2], analytical_concentrations[i][0], 1e-4);
-    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-4);
-    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-4);
-  }
+  test_analytical_stiff_troe<micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>>(
+      [](const micm::System& s,
+         const std::vector<micm::Process>& p) -> micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>
+      {
+        return micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>{
+          s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
 }
 
 TEST(AnalyticalExamples, Photolysis)
 {
-  /*
-   * A -> B, k1
-   * B -> C, k2
-   *
-   * Copying the CAMP example: https://github.com/open-atmos/camp/blob/main/test/unit_rxn_data/test_rxn_photolysis.F90
-   */
-
-  auto a = micm::Species("A");
-  auto b = micm::Species("B");
-  auto c = micm::Species("C");
-
-  micm::Phase gas_phase{ std::vector<micm::Species>{ a, b, c } };
-
-  micm::Process r1 = micm::Process::create()
-                         .reactants({ a })
-                         .products({ yields(b, 1) })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "photoA" }))
-                         .phase(gas_phase);
-
-  micm::Process r2 = micm::Process::create()
-                         .reactants({ b })
-                         .products({ yields(c, 1) })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "photoB" }))
-                         .phase(gas_phase);
-
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
-
-  double temperature = 272.5;
-  double pressure = 101253.3;
-  double air_density = 1e6;
-
-  // A->B reaction rate
-  double k1 = 2e-3;
-
-  // B->C reaction rate
-  double k2 = 3e-3;
-
-  double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
-
-  state.SetCustomRateParameter("photoA", k1);
-  state.SetCustomRateParameter("photoB", k2);
-
-  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(3));
-  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
-
-  model_concentrations[0] = { 1, 0, 0 };
-  analytical_concentrations[0] = { 1, 0, 0 };
-
-  state.variables_[0] = model_concentrations[0];
-  state.conditions_[0].temperature_ = temperature;
-  state.conditions_[0].pressure_ = pressure;
-  state.conditions_[0].air_density_ = air_density;
-
-  size_t idx_A = 0, idx_B = 1, idx_C = 2;
-
-  std::vector<double> times;
-  times.push_back(0);
-  for (size_t i_time = 1; i_time < nsteps; ++i_time)
-  {
-    times.push_back(time_step);
-    // Model results
-    auto result = solver.Solve(time_step, state);
-    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
-    EXPECT_NEAR(k1, state.rate_constants_.AsVector()[0], 1e-8);
-    EXPECT_NEAR(k2, state.rate_constants_.AsVector()[1], 1e-8);
-    model_concentrations[i_time] = result.result_.AsVector();
-    state.variables_[0] = result.result_.AsVector();
-
-    // Analytical results
-    double time = i_time * time_step;
-
-    double initial_A = analytical_concentrations[0][idx_A];
-    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
-    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
-
-    analytical_concentrations[i_time][idx_C] =
-        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
-  }
-
-  std::vector<std::string> header = { "time", "A", "B", "C" };
-  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, times);
-  writeCSV("model_concentrations.csv", header, model_concentrations, times);
-
-  auto map = state.variable_map_;
-
-  size_t _a = map.at("A");
-  size_t _b = map.at("B");
-  size_t _c = map.at("C");
-
-  for (size_t i = 0; i < model_concentrations.size(); ++i)
-  {
-    EXPECT_NEAR(model_concentrations[i][_a], analytical_concentrations[i][0], 1e-8)
-        << "Arrays differ at index (" << i << ", " << 0 << ")";
-    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-8)
-        << "Arrays differ at index (" << i << ", " << 1 << ")";
-    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-8)
-        << "Arrays differ at index (" << i << ", " << 2 << ")";
-  }
-}
-
-TEST(AnalyticalExamples, PhotolysisSuperStiffButAnalytical)
-{
-  /*
-   * A1 -> B, k1
-   * A2 -> B, k1
-   * A1 -> A2, k3 >>> k1
-   * A2 -> A1, k4 >>> k1
-   * B -> C, k2
-   *
-   */
-
-  auto a1 = micm::Species("A1");
-  auto a2 = micm::Species("A2");
-  auto b = micm::Species("B");
-  auto c = micm::Species("C");
-
-  micm::Phase gas_phase{ std::vector<micm::Species>{ a1, a2, b, c } };
-
-  micm::Process r1 = micm::Process::create()
-                         .reactants({ a1 })
-                         .products({ yields(b, 1) })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "photoA1B" }))
-                         .phase(gas_phase);
-
-  micm::Process r2 = micm::Process::create()
-                         .reactants({ a2 })
-                         .products({ yields(b, 1) })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "photoA2B" }))
-                         .phase(gas_phase);
-
-  micm::Process r3 = micm::Process::create()
-                         .reactants({ b })
-                         .products({ yields(c, 1) })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "photoB" }))
-                         .phase(gas_phase);
-
-  micm::Process r4 = micm::Process::create()
-                         .reactants({ a1 })
-                         .products({ yields(a2, 1) })
-                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 4.0e10 }))
-                         .phase(gas_phase);
-
-  micm::Process r5 = micm::Process::create()
-                         .reactants({ a2 })
-                         .products({ yields(a1, 1) })
-                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 0.9 * 4.0e10 }))
-                         .phase(gas_phase);
-
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2, r3, r4, r5 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
-
-  double temperature = 272.5;
-  double pressure = 101253.3;
-  double air_density = 1e6;
-
-  // A->B reaction rate
-  double k1 = 2e-3;
-
-  // B->C reaction rate
-  double k2 = 3e-3;
-
-  double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
-
-  state.SetCustomRateParameter("photoA1B", k1);
-  state.SetCustomRateParameter("photoA2B", k1);
-  state.SetCustomRateParameter("photoB", k2);
-
-  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(3));
-  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
-
-  state.SetConcentration(a1, 0.5);
-  state.SetConcentration(a2, 0.5);
-  state.SetConcentration(b, 0.0);
-  state.SetConcentration(c, 0.0);
-
-  model_concentrations[0] = state.variables_[0];
-
-  analytical_concentrations[0] = { 1, 0, 0 };
-
-  state.variables_[0] = model_concentrations[0];
-  state.conditions_[0].temperature_ = temperature;
-  state.conditions_[0].pressure_ = pressure;
-  state.conditions_[0].air_density_ = air_density;
-
-  size_t idx_A = 0, idx_B = 1, idx_C = 2;
-
-  std::vector<double> times;
-  times.push_back(0);
-  for (size_t i_time = 1; i_time < nsteps; ++i_time)
-  {
-    times.push_back(time_step);
-    // Model results
-    auto result = solver.Solve(time_step, state);
-    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
-    model_concentrations[i_time] = result.result_.AsVector();
-    state.variables_[0] = result.result_.AsVector();
-
-    // Analytical results
-    double time = i_time * time_step;
-
-    double initial_A = analytical_concentrations[0][idx_A];
-    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
-    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
-
-    analytical_concentrations[i_time][idx_C] =
-        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
-  }
-
-  std::vector<std::string> header = { "time", "A", "B", "C" };
-  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, times);
-  writeCSV("model_concentrations.csv", header, model_concentrations, times);
-
-  auto map = state.variable_map_;
-
-  size_t _a1 = map.at("A1");
-  size_t _a2 = map.at("A2");
-  size_t _b = map.at("B");
-  size_t _c = map.at("C");
-
-  for (size_t i = 0; i < model_concentrations.size(); ++i)
-  {
-    EXPECT_NEAR(model_concentrations[i][_a1] + model_concentrations[i][_a2], analytical_concentrations[i][0], 1e-4);
-    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-4);
-    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-4);
-  }
-}
-
-TEST(AnalyticalExamples, TernaryChemicalActivation)
-{
-  /*
-   * A -> B, k1
-   * B -> C, k2
-   *
-   * Copying the CAMP example:
-   * https://github.com/open-atmos/camp/blob/main/test/unit_rxn_data/test_rxn_ternary_chemical_activation.F90
-   */
-
-  auto a = micm::Species("A");
-  auto b = micm::Species("B");
-  auto c = micm::Species("C");
-
-  micm::Phase gas_phase{ std::vector<micm::Species>{ a, b, c } };
-
-  micm::Process r1 = micm::Process::create()
-                         .reactants({ a })
-                         .products({ yields(b, 1) })
-                         .rate_constant(micm::TernaryChemicalActivationRateConstant({ .k0_A_ = 4.0e-10, .kinf_A_ = 1 }))
-                         .phase(gas_phase);
-
-  micm::Process r2 = micm::Process::create()
-                         .reactants({ b })
-                         .products({ yields(c, 1) })
-                         .rate_constant(micm::TernaryChemicalActivationRateConstant({ .k0_A_ = 1.2e-3,
-                                                                                      .k0_B_ = 167,
-                                                                                      .k0_C_ = 3,
-                                                                                      .kinf_A_ = 136,
-                                                                                      .kinf_B_ = 5,
-                                                                                      .kinf_C_ = 24,
-                                                                                      .Fc_ = 0.9,
-                                                                                      .N_ = 0.8 }))
-                         .phase(gas_phase);
-
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
-
-  double temperature = 272.5;
-  double pressure = 101253.3;
-  double air_density = 1e6;
-
-  // A->B reaction rate
-  double k_0 = 4.0e-10;
-  double k_inf = 1;
-  double k1 = k_0 / (1.0 + k_0 * air_density / k_inf) *
-              std::pow(0.6, 1.0 / (1.0 + (1.0 / 1.0) * std::pow(std::log10(k_0 * air_density / k_inf), 2)));
-
-  // B->C reaction rate
-  k_0 = 1.2e-3 * std::exp(3.0 / temperature) * std::pow(temperature / 300.0, 167.0);
-  k_inf = 136.0 * std::exp(24.0 / temperature) * std::pow(temperature / 300.0, 5.0);
-  double k2 = k_0 / (1.0 + k_0 * air_density / k_inf) *
-              std::pow(0.9, 1.0 / (1.0 + (1.0 / 0.8) * std::pow(std::log10(k_0 * air_density / k_inf), 2)));
-
-  double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
-
-  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(3));
-  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
-
-  model_concentrations[0] = { 1, 0, 0 };
-  analytical_concentrations[0] = { 1, 0, 0 };
-
-  state.variables_[0] = model_concentrations[0];
-  state.conditions_[0].temperature_ = temperature;
-  state.conditions_[0].pressure_ = pressure;
-  state.conditions_[0].air_density_ = air_density;
-
-  size_t idx_A = 0, idx_B = 1, idx_C = 2;
-
-  std::vector<double> times;
-  times.push_back(0);
-  for (size_t i_time = 1; i_time < nsteps; ++i_time)
-  {
-    times.push_back(time_step);
-    // Model results
-    auto result = solver.Solve(time_step, state);
-    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
-    EXPECT_NEAR(k1, state.rate_constants_.AsVector()[0], 1e-8);
-    EXPECT_NEAR(k2, state.rate_constants_.AsVector()[1], 1e-8);
-    model_concentrations[i_time] = result.result_.AsVector();
-    state.variables_[0] = result.result_.AsVector();
-
-    // Analytical results
-    double time = i_time * time_step;
-
-    double initial_A = analytical_concentrations[0][idx_A];
-    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
-    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
-
-    analytical_concentrations[i_time][idx_C] =
-        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
-  }
-
-  std::vector<std::string> header = { "time", "A", "B", "C" };
-  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, times);
-  writeCSV("model_concentrations.csv", header, model_concentrations, times);
-
-  auto map = state.variable_map_;
-
-  size_t _a = map.at("A");
-  size_t _b = map.at("B");
-  size_t _c = map.at("C");
-
-  for (size_t i = 0; i < model_concentrations.size(); ++i)
-  {
-    EXPECT_NEAR(model_concentrations[i][_a], analytical_concentrations[i][0], 1e-8)
-        << "Arrays differ at index (" << i << ", " << 0 << ")";
-    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-8)
-        << "Arrays differ at index (" << i << ", " << 1 << ")";
-    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-8)
-        << "Arrays differ at index (" << i << ", " << 2 << ")";
-  }
-}
-
-TEST(AnalyticalExamples, TernaryChemicalActivationSuperStiffButAnalytical)
-{
-  /*
-   * A1 -> B, k1
-   * A2 -> B, k1
-   * A1 -> A2, k3 >>> k1
-   * A2 -> A1, k4 >>> k1
-   * B -> C, k2
-   *
-   */
-
-  auto a1 = micm::Species("A1");
-  auto a2 = micm::Species("A2");
-  auto b = micm::Species("B");
-  auto c = micm::Species("C");
-
-  micm::Phase gas_phase{ std::vector<micm::Species>{ a1, a2, b, c } };
-
-  micm::Process r1 = micm::Process::create()
-                         .reactants({ a1 })
-                         .products({ yields(b, 1) })
-                         .rate_constant(micm::TernaryChemicalActivationRateConstant({ .k0_A_ = 4.0e-10, .kinf_A_ = 1 }))
-                         .phase(gas_phase);
-
-  micm::Process r2 = micm::Process::create()
-                         .reactants({ a2 })
-                         .products({ yields(b, 1) })
-                         .rate_constant(micm::TernaryChemicalActivationRateConstant({ .k0_A_ = 4.0e-10, .kinf_A_ = 1 }))
-                         .phase(gas_phase);
-
-  micm::Process r3 = micm::Process::create()
-                         .reactants({ b })
-                         .products({ yields(c, 1) })
-                         .rate_constant(micm::TernaryChemicalActivationRateConstant({ .k0_A_ = 1.2e-3,
-                                                                                      .k0_B_ = 167,
-                                                                                      .k0_C_ = 3,
-                                                                                      .kinf_A_ = 136,
-                                                                                      .kinf_B_ = 5,
-                                                                                      .kinf_C_ = 24,
-                                                                                      .Fc_ = 0.9,
-                                                                                      .N_ = 0.8 }))
-                         .phase(gas_phase);
-
-  micm::Process r4 = micm::Process::create()
-                         .reactants({ a1 })
-                         .products({ yields(a2, 1) })
-                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 4.0e10 }))
-                         .phase(gas_phase);
-
-  micm::Process r5 = micm::Process::create()
-                         .reactants({ a2 })
-                         .products({ yields(a1, 1) })
-                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 0.9 * 4.0e10 }))
-                         .phase(gas_phase);
-
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2, r3, r4, r5 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
-
-  double temperature = 272.5;
-  double pressure = 101253.3;
-  double air_density = 1e6;
-
-  // A->B reaction rate
-  double k_0 = 4.0e-10;
-  double k_inf = 1;
-  double k1 = k_0 / (1.0 + k_0 * air_density / k_inf) *
-              std::pow(0.6, 1.0 / (1.0 + (1.0 / 1.0) * std::pow(std::log10(k_0 * air_density / k_inf), 2)));
-
-  // B->C reaction rate
-  k_0 = 1.2e-3 * std::exp(3.0 / temperature) * std::pow(temperature / 300.0, 167.0);
-  k_inf = 136.0 * std::exp(24.0 / temperature) * std::pow(temperature / 300.0, 5.0);
-  double k2 = k_0 / (1.0 + k_0 * air_density / k_inf) *
-              std::pow(0.9, 1.0 / (1.0 + (1.0 / 0.8) * std::pow(std::log10(k_0 * air_density / k_inf), 2)));
-
-  double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
-
-  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(4));
-  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
-
-  state.SetConcentration(a1, 0.5);
-  state.SetConcentration(a2, 0.5);
-  state.SetConcentration(b, 0.0);
-  state.SetConcentration(c, 0.0);
-
-  model_concentrations[0] = state.variables_[0];
-  analytical_concentrations[0] = { 1, 0, 0 };
-
-  state.variables_[0] = model_concentrations[0];
-  state.conditions_[0].temperature_ = temperature;
-  state.conditions_[0].pressure_ = pressure;
-  state.conditions_[0].air_density_ = air_density;
-
-  size_t idx_A = 0, idx_B = 1, idx_C = 2;
-
-  std::vector<double> times;
-  times.push_back(0);
-  for (size_t i_time = 1; i_time < nsteps; ++i_time)
-  {
-    times.push_back(time_step);
-    // Model results
-    auto result = solver.Solve(time_step, state);
-    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
-    model_concentrations[i_time] = result.result_.AsVector();
-    state.variables_[0] = result.result_.AsVector();
-
-    // Analytical results
-    double time = i_time * time_step;
-
-    double initial_A = analytical_concentrations[0][idx_A];
-    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
-    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
-
-    analytical_concentrations[i_time][idx_C] =
-        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
-  }
-
-  auto header = state.variable_names_;
-  header.insert(header.begin(), "time");
-  writeCSV("stiff_model_concentrations.csv", header, model_concentrations, times);
-
-  auto map = state.variable_map_;
-
-  size_t _a1 = map.at("A1");
-  size_t _a2 = map.at("A2");
-  size_t _b = map.at("B");
-  size_t _c = map.at("C");
-
-  for (size_t i = 0; i < model_concentrations.size(); ++i)
-  {
-    EXPECT_NEAR(model_concentrations[i][_a1] + model_concentrations[i][_a2], analytical_concentrations[i][0], 1e-4);
-    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-4);
-    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-4);
-  }
-}
-
-TEST(AnalyticalExamples, Tunneling)
-{
-  /*
-   * A -> B, k1
-   * B -> C, k2
-   *
-   * Copying the CAMP example:
-   * https://github.com/open-atmos/camp/blob/main/test/unit_rxn_data/test_rxn_wennberg_tunneling.F90
-   */
-
-  auto a = micm::Species("A");
-  auto b = micm::Species("B");
-  auto c = micm::Species("C");
-
-  micm::Phase gas_phase{ std::vector<micm::Species>{ a, b, c } };
-
-  micm::Process r1 = micm::Process::create()
-                         .reactants({ a })
-                         .products({ yields(b, 1) })
-                         .rate_constant(micm::TunnelingRateConstant({ .A_ = 4.0e-3 }))
-                         .phase(gas_phase);
-
-  micm::Process r2 = micm::Process::create()
-                         .reactants({ b })
-                         .products({ yields(c, 1) })
-                         .rate_constant(micm::TunnelingRateConstant({ .A_ = 1.2e-4, .B_ = 167, .C_ = 1.0e8 }))
-                         .phase(gas_phase);
-
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
-
-  double temperature = 272.5;
-  double pressure = 101253.3;
-  double air_density = 1e6;
-
-  // A->B reaction rate
-  double k1 = 4.0e-3;
-
-  // B->C reaction rate
-  double k2 = 1.2e-4 * std::exp(-167 / temperature + 1.0e8 / std::pow(temperature, 3));
-
-  double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
-
-  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(3));
-  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
-
-  model_concentrations[0] = { 1, 0, 0 };
-  analytical_concentrations[0] = { 1, 0, 0 };
-
-  state.variables_[0] = model_concentrations[0];
-  state.conditions_[0].temperature_ = temperature;
-  state.conditions_[0].pressure_ = pressure;
-  state.conditions_[0].air_density_ = air_density;
-
-  size_t idx_A = 0, idx_B = 1, idx_C = 2;
-
-  std::vector<double> times;
-  times.push_back(0);
-  for (size_t i_time = 1; i_time < nsteps; ++i_time)
-  {
-    times.push_back(time_step);
-    // Model results
-    auto result = solver.Solve(time_step, state);
-    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
-    EXPECT_NEAR(k1, state.rate_constants_.AsVector()[0], 1e-8);
-    EXPECT_NEAR(k2, state.rate_constants_.AsVector()[1], 1e-8);
-    model_concentrations[i_time] = result.result_.AsVector();
-    state.variables_[0] = result.result_.AsVector();
-
-    // Analytical results
-    double time = i_time * time_step;
-
-    double initial_A = analytical_concentrations[0][idx_A];
-    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
-    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
-
-    analytical_concentrations[i_time][idx_C] =
-        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
-  }
-
-  std::vector<std::string> header = { "time", "A", "B", "C" };
-  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, times);
-  writeCSV("model_concentrations.csv", header, model_concentrations, times);
-
-  auto map = state.variable_map_;
-
-  size_t _a = map.at("A");
-  size_t _b = map.at("B");
-  size_t _c = map.at("C");
-
-  for (size_t i = 0; i < model_concentrations.size(); ++i)
-  {
-    EXPECT_NEAR(model_concentrations[i][_a], analytical_concentrations[i][0], 1e-8)
-        << "Arrays differ at index (" << i << ", " << 0 << ")";
-    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-8)
-        << "Arrays differ at index (" << i << ", " << 1 << ")";
-    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-8)
-        << "Arrays differ at index (" << i << ", " << 2 << ")";
-  }
-}
-
-TEST(AnalyticalExamples, TunnelingSuperStiffButAnalytical)
-{
-  /*
-   * A1 -> B, k1
-   * A2 -> B, k1
-   * A1 -> A2, k3 >>> k1
-   * A2 -> A1, k4 >>> k1
-   * B -> C, k2
-   *
-   */
-
-  auto a1 = micm::Species("A1");
-  auto a2 = micm::Species("A2");
-  auto b = micm::Species("B");
-  auto c = micm::Species("C");
-
-  micm::Phase gas_phase{ std::vector<micm::Species>{ a1, a2, b, c } };
-
-  micm::Process r1 = micm::Process::create()
-                         .reactants({ a1 })
-                         .products({ yields(b, 1) })
-                         .rate_constant(micm::TunnelingRateConstant({ .A_ = 4.0e-3 }))
-                         .phase(gas_phase);
-
-  micm::Process r2 = micm::Process::create()
-                         .reactants({ a2 })
-                         .products({ yields(b, 1) })
-                         .rate_constant(micm::TunnelingRateConstant({ .A_ = 4.0e-3 }))
-                         .phase(gas_phase);
-
-  micm::Process r3 = micm::Process::create()
-                         .reactants({ b })
-                         .products({ yields(c, 1) })
-                         .rate_constant(micm::TunnelingRateConstant({ .A_ = 1.2e-4, .B_ = 167, .C_ = 1.0e8 }))
-                         .phase(gas_phase);
-
-  micm::Process r4 = micm::Process::create()
-                         .reactants({ a1 })
-                         .products({ yields(a2, 1) })
-                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 4.0e10 }))
-                         .phase(gas_phase);
-
-  micm::Process r5 = micm::Process::create()
-                         .reactants({ a2 })
-                         .products({ yields(a1, 1) })
-                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 0.9 * 4.0e10 }))
-                         .phase(gas_phase);
-
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2, r3, r4, r5 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
-
-  double temperature = 272.5;
-  double pressure = 101253.3;
-  double air_density = 1e6;
-
-  // A->B reaction rate
-  double k1 = 4.0e-3;
-
-  // B->C reaction rate
-  double k2 = 1.2e-4 * std::exp(-167 / temperature + 1.0e8 / std::pow(temperature, 3));
-
-  double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
-
-  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(4));
-  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
-
-  state.SetConcentration(a1, 0.5);
-  state.SetConcentration(a2, 0.5);
-  state.SetConcentration(b, 0.0);
-  state.SetConcentration(c, 0.0);
-
-  model_concentrations[0] = state.variables_[0];
-  analytical_concentrations[0] = { 1, 0, 0 };
-
-  state.variables_[0] = model_concentrations[0];
-  state.conditions_[0].temperature_ = temperature;
-  state.conditions_[0].pressure_ = pressure;
-  state.conditions_[0].air_density_ = air_density;
-
-  size_t idx_A = 0, idx_B = 1, idx_C = 2;
-
-  std::vector<double> times;
-  times.push_back(0);
-  for (size_t i_time = 1; i_time < nsteps; ++i_time)
-  {
-    times.push_back(time_step);
-    // Model results
-    auto result = solver.Solve(time_step, state);
-    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
-    model_concentrations[i_time] = result.result_.AsVector();
-    state.variables_[0] = result.result_.AsVector();
-
-    // Analytical results
-    double time = i_time * time_step;
-
-    double initial_A = analytical_concentrations[0][idx_A];
-    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
-    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
-
-    analytical_concentrations[i_time][idx_C] =
-        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
-  }
-
-  auto header = state.variable_names_;
-  header.insert(header.begin(), "time");
-  writeCSV("stiff_model_concentrations.csv", header, model_concentrations, times);
-
-  auto map = state.variable_map_;
-
-  size_t _a1 = map.at("A1");
-  size_t _a2 = map.at("A2");
-  size_t _b = map.at("B");
-  size_t _c = map.at("C");
-
-  for (size_t i = 0; i < model_concentrations.size(); ++i)
-  {
-    EXPECT_NEAR(model_concentrations[i][_a1] + model_concentrations[i][_a2], analytical_concentrations[i][0], 1e-4)
-        << "Arrays differ at index (" << i << ", " << 0 << ")";
-    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-4)
-        << "Arrays differ at index (" << i << ", " << 1 << ")";
-    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-4)
-        << "Arrays differ at index (" << i << ", " << 2 << ")";
-  }
-}
-
-TEST(AnalyticalExamples, Arrhenius)
-{
-  /*
-   * A -> B, k1
-   * B -> C, k2
-   *
-   */
-
-  auto a = micm::Species("A");
-  auto b = micm::Species("B");
-  auto c = micm::Species("C");
-
-  micm::Phase gas_phase{ std::vector<micm::Species>{ a, b, c } };
-
-  micm::Process r1 = micm::Process::create()
-                         .reactants({ a })
-                         .products({ yields(b, 1) })
-                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 4.0e-3, .C_ = 50 }))
-                         .phase(gas_phase);
-
-  micm::Process r2 =
-      micm::Process::create()
-          .reactants({ b })
-          .products({ yields(c, 1) })
-          .rate_constant(micm::ArrheniusRateConstant({ .A_ = 1.2e-4, .B_ = 7, .C_ = 75, .D_ = 50, .E_ = 0.5 }))
-          .phase(gas_phase);
-
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
-
-  double temperature = 272.5;
-  double pressure = 101253.3;
-  double air_density = 1e6;
-
-  // A->B reaction rate
-  double k1 = 4.0e-3 * std::exp(50 / temperature);
-
-  // B->C reaction rate
-  double k2 = 1.2e-4 * std::exp(75 / temperature) * std::pow(temperature / 50, 7) * (1.0 + 0.5 * pressure);
-
-  double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
-
-  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(3));
-  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
-
-  model_concentrations[0] = { 1, 0, 0 };
-  analytical_concentrations[0] = { 1, 0, 0 };
-
-  state.variables_[0] = model_concentrations[0];
-  state.conditions_[0].temperature_ = temperature;
-  state.conditions_[0].pressure_ = pressure;
-  state.conditions_[0].air_density_ = air_density;
-
-  size_t idx_A = 0, idx_B = 1, idx_C = 2;
-
-  std::vector<double> times;
-  times.push_back(0);
-  for (size_t i_time = 1; i_time < nsteps; ++i_time)
-  {
-    times.push_back(time_step);
-    // Model results
-    auto result = solver.Solve(time_step, state);
-    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
-    EXPECT_NEAR(k1, state.rate_constants_.AsVector()[0], 1e-8);
-    EXPECT_NEAR(k2, state.rate_constants_.AsVector()[1], 1e-8);
-    model_concentrations[i_time] = result.result_.AsVector();
-    state.variables_[0] = result.result_.AsVector();
-
-    // Analytical results
-    double time = i_time * time_step;
-
-    double initial_A = analytical_concentrations[0][idx_A];
-    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
-    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
-
-    analytical_concentrations[i_time][idx_C] =
-        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
-  }
-
-  std::vector<std::string> header = { "time", "A", "B", "C" };
-  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, times);
-  writeCSV("model_concentrations.csv", header, model_concentrations, times);
-
-  auto map = state.variable_map_;
-
-  size_t _a = map.at("A");
-  size_t _b = map.at("B");
-  size_t _c = map.at("C");
-
-  for (size_t i = 0; i < model_concentrations.size(); ++i)
-  {
-    EXPECT_NEAR(model_concentrations[i][_a], analytical_concentrations[i][0], 1e-8)
-        << "Arrays differ at index (" << i << ", " << 0 << ")";
-    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-8)
-        << "Arrays differ at index (" << i << ", " << 1 << ")";
-    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-8)
-        << "Arrays differ at index (" << i << ", " << 2 << ")";
-  }
-}
-
-TEST(AnalyticalExamples, ArrheniusSuperStiffButAnalytical)
-{
-  /*
-   * A1 -> B, k1
-   * A2 -> B, k1
-   * A1 -> A2, k3 >>> k1
-   * A2 -> A1, k4 >>> k1
-   * B -> C, k2
-   *
-   */
-
-  auto a1 = micm::Species("A1");
-  auto a2 = micm::Species("A2");
-  auto b = micm::Species("B");
-  auto c = micm::Species("C");
-
-  micm::Phase gas_phase{ std::vector<micm::Species>{ a1, a2, b, c } };
-
-  micm::Process r1 = micm::Process::create()
-                         .reactants({ a1 })
-                         .products({ yields(b, 1) })
-                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 4.0e-3, .C_ = 50 }))
-                         .phase(gas_phase);
-
-  micm::Process r2 = micm::Process::create()
-                         .reactants({ a2 })
-                         .products({ yields(b, 1) })
-                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 4.0e-3, .C_ = 50 }))
-                         .phase(gas_phase);
-
-  micm::Process r3 =
-      micm::Process::create()
-          .reactants({ b })
-          .products({ yields(c, 1) })
-          .rate_constant(micm::ArrheniusRateConstant({ .A_ = 1.2e-4, .B_ = 167, .C_ = 75, .D_ = 50, .E_ = 0.5 }))
-          .phase(gas_phase);
-
-  micm::Process r4 = micm::Process::create()
-                         .reactants({ a1 })
-                         .products({ yields(a2, 1) })
-                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 4.0e10 }))
-                         .phase(gas_phase);
-
-  micm::Process r5 = micm::Process::create()
-                         .reactants({ a2 })
-                         .products({ yields(a1, 1) })
-                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 0.9 * 4.0e10 }))
-                         .phase(gas_phase);
-
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2, r3, r4, r5 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
-
-  double temperature = 272.5;
-  double pressure = 101253.3;
-  double air_density = 1e6;
-
-  // A->B reaction rate
-  double k1 = 4.0e-3 * std::exp(50 / temperature);
-
-  // B->C reaction rate
-  double k2 = 1.2e-4 * std::exp(75 / temperature) * std::pow(temperature / 50, 167) * (1.0 + 0.5 * pressure);
-
-  double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
-
-  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(4));
-  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
-
-  state.SetConcentration(a1, 0.5);
-  state.SetConcentration(a2, 0.5);
-  state.SetConcentration(b, 0.0);
-  state.SetConcentration(c, 0.0);
-
-  model_concentrations[0] = state.variables_[0];
-  analytical_concentrations[0] = { 1, 0, 0 };
-
-  state.variables_[0] = model_concentrations[0];
-  state.conditions_[0].temperature_ = temperature;
-  state.conditions_[0].pressure_ = pressure;
-  state.conditions_[0].air_density_ = air_density;
-
-  size_t idx_A = 0, idx_B = 1, idx_C = 2;
-
-  std::vector<double> times;
-  times.push_back(0);
-  for (size_t i_time = 1; i_time < nsteps; ++i_time)
-  {
-    times.push_back(time_step);
-    // Model results
-    auto result = solver.Solve(time_step, state);
-    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
-    model_concentrations[i_time] = result.result_.AsVector();
-    state.variables_[0] = result.result_.AsVector();
-
-    // Analytical results
-    double time = i_time * time_step;
-
-    double initial_A = analytical_concentrations[0][idx_A];
-    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
-    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
-
-    analytical_concentrations[i_time][idx_C] =
-        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
-  }
-
-  auto header = state.variable_names_;
-  header.insert(header.begin(), "time");
-  writeCSV("stiff_model_concentrations.csv", header, model_concentrations, times);
-
-  auto map = state.variable_map_;
-
-  size_t _a1 = map.at("A1");
-  size_t _a2 = map.at("A2");
-  size_t _b = map.at("B");
-  size_t _c = map.at("C");
-
-  for (size_t i = 0; i < model_concentrations.size(); ++i)
-  {
-    EXPECT_NEAR(model_concentrations[i][_a1] + model_concentrations[i][_a2], analytical_concentrations[i][0], 1e-4)
-        << "Arrays differ at index (" << i << ", " << 0 << ")";
-    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-4)
-        << "Arrays differ at index (" << i << ", " << 1 << ")";
-    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-4)
-        << "Arrays differ at index (" << i << ", " << 2 << ")";
-  }
+  test_analytical_photolysis<micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>>(
+      [](const micm::System& s,
+         const std::vector<micm::Process>& p) -> micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>
+      {
+        return micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>{
+          s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
 }
 
-TEST(AnalyticalExamples, Branched)
+TEST(AnalyticalExamples, PhotolysisSuperStiffButAnalytical)
 {
-  /*
-   * A -> B, k1
-   * B -> C, k2
-   *
-   * Copying the CAMP example: https://github.com/open-atmos/camp/blob/main/test/unit_rxn_data/test_rxn_wennberg_no_ro2.F90
-   */
-
-  auto a = micm::Species("A");
-  auto b = micm::Species("B");
-  auto c = micm::Species("C");
-
-  micm::Phase gas_phase{ std::vector<micm::Species>{ a, b, c } };
-
-  micm::Process r1 =
-      micm::Process::create()
-          .reactants({ a })
-          .products({ yields(b, 1) })
-          .rate_constant(micm::BranchedRateConstant({ .branch_ = micm::BranchedRateConstantParameters::Branch::Alkoxy,
-                                                      .X_ = 1.2,
-                                                      .Y_ = 204.3,
-                                                      .a0_ = 1.0e-3,
-                                                      .n_ = 2 }))
-          .phase(gas_phase);
-
-  micm::Process r2 =
-      micm::Process::create()
-          .reactants({ b })
-          .products({ yields(c, 1) })
-          .rate_constant(micm::BranchedRateConstant({ .branch_ = micm::BranchedRateConstantParameters::Branch::Nitrate,
-                                                      .X_ = 1.2,
-                                                      .Y_ = 204.3,
-                                                      .a0_ = 1.0e-3,
-                                                      .n_ = 2 }))
-          .phase(gas_phase);
-
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
-
-  double temperature = 272.5;
-  double pressure = 101253.3;
-  double air_density = 1e6;
-
-  // A->B reaction rate
-  double air_dens_n_cm3 = air_density * AVOGADRO_CONSTANT * 1.0e-6;
-  double a_ = 2.0e-22 * std::exp(2) * 2.45e19;
-  double b_ = 0.43 * std::pow((293.0 / 298.0), -8.0);
-  double z = a_ / (1.0 + a_ / b_) * std::pow(0.41, 1.0 / (1.0 + std::pow(std::log10(a_ / b_), 2))) * (1.0 - 1.0e-3) / 1.0e-3;
-  a_ = 2.0e-22 * std::exp(2) * air_dens_n_cm3;
-  b_ = 0.43 * std::pow((temperature / 298.0), -8.0);
-  double A = a_ / (1.0 + a_ / b_) * std::pow(0.41, 1.0 / (1.0 + std::pow(std::log10(a_ / b_), 2)));
-
-  double k1 = 1.2 * std::exp(-204.3 / temperature) * (z / (z + A));
-
-  // B->C reaction rate
-  a_ = 2.0e-22 * std::exp(2) * 2.45e19;
-  b_ = 0.43 * std::pow((293.0 / 298.0), -8.0);
-  z = a_ / (1.0 + a_ / b_) * std::pow(0.41, 1.0 / (1.0 + std::pow(std::log10(a_ / b_), 2))) * (1.0 - 1.0e-3) / 1.0e-3;
-  a_ = 2.0e-22 * std::exp(2) * air_dens_n_cm3;
-  b_ = 0.43 * std::pow((temperature / 298.0), -8.0);
-  A = a_ / (1.0 + a_ / b_) * std::pow(0.41, 1.0 / (1.0 + std::pow(std::log10(a_ / b_), 2)));
-
-  double k2 = 1.2 * std::exp(-204.3 / temperature) * (A / (z + A));
-
-  double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
-
-  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(3));
-  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
-
-  model_concentrations[0] = { 1, 0, 0 };
-  analytical_concentrations[0] = { 1, 0, 0 };
+  test_analytical_stiff_photolysis<micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>>(
+      [](const micm::System& s,
+         const std::vector<micm::Process>& p) -> micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>
+      {
+        return micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>{
+          s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
 
-  state.variables_[0] = model_concentrations[0];
-  state.conditions_[0].temperature_ = temperature;
-  state.conditions_[0].pressure_ = pressure;
-  state.conditions_[0].air_density_ = air_density;
+TEST(AnalyticalExamples, TernaryChemicalActivation)
+{
+  test_analytical_ternary_chemical_activation<micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>>(
+      [](const micm::System& s,
+         const std::vector<micm::Process>& p) -> micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>
+      {
+        return micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>{
+          s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
 
-  size_t idx_A = 0, idx_B = 1, idx_C = 2;
+TEST(AnalyticalExamples, TernaryChemicalActivationSuperStiffButAnalytical)
+{
+  test_analytical_stiff_ternary_chemical_activation<micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>>(
+      [](const micm::System& s,
+         const std::vector<micm::Process>& p) -> micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>
+      {
+        return micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>{
+          s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
 
-  std::vector<double> times;
-  times.push_back(0);
-  for (size_t i_time = 1; i_time < nsteps; ++i_time)
-  {
-    times.push_back(time_step);
-    // Model results
-    auto result = solver.Solve(time_step, state);
-    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
-    EXPECT_NEAR(k1, state.rate_constants_.AsVector()[0], 1e-8);
-    EXPECT_NEAR(k2, state.rate_constants_.AsVector()[1], 1e-8);
-    model_concentrations[i_time] = result.result_.AsVector();
-    state.variables_[0] = result.result_.AsVector();
-
-    // Analytical results
-    double time = i_time * time_step;
-
-    double initial_A = analytical_concentrations[0][idx_A];
-    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
-    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
-
-    analytical_concentrations[i_time][idx_C] =
-        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
-  }
+TEST(AnalyticalExamples, Tunneling)
+{
+  test_analytical_tunneling<micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>>(
+      [](const micm::System& s,
+         const std::vector<micm::Process>& p) -> micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>
+      {
+        return micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>{
+          s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
 
-  std::vector<std::string> header = { "time", "A", "B", "C" };
-  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, times);
-  writeCSV("model_concentrations.csv", header, model_concentrations, times);
+TEST(AnalyticalExamples, TunnelingSuperStiffButAnalytical)
+{
+  test_analytical_stiff_tunneling<micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>>(
+      [](const micm::System& s,
+         const std::vector<micm::Process>& p) -> micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>
+      {
+        return micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>{
+          s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
 
-  auto map = state.variable_map_;
+TEST(AnalyticalExamples, Arrhenius)
+{
+  test_analytical_arrhenius<micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>>(
+      [](const micm::System& s,
+         const std::vector<micm::Process>& p) -> micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>
+      {
+        return micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>{
+          s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
 
-  size_t _a = map.at("A");
-  size_t _b = map.at("B");
-  size_t _c = map.at("C");
+TEST(AnalyticalExamples, ArrheniusSuperStiffButAnalytical)
+{
+  test_analytical_stiff_arrhenius<micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>>(
+      [](const micm::System& s,
+         const std::vector<micm::Process>& p) -> micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>
+      {
+        return micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>{
+          s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
 
-  for (size_t i = 0; i < model_concentrations.size(); ++i)
-  {
-    EXPECT_NEAR(model_concentrations[i][_a], analytical_concentrations[i][0], 1e-3)
-        << "Arrays differ at index (" << i << ", " << 0 << ")";
-    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-3)
-        << "Arrays differ at index (" << i << ", " << 1 << ")";
-    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-3)
-        << "Arrays differ at index (" << i << ", " << 2 << ")";
-  }
+TEST(AnalyticalExamples, Branched)
+{
+  test_analytical_branched<micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>>(
+      [](const micm::System& s,
+         const std::vector<micm::Process>& p) -> micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>
+      {
+        return micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>{
+          s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
 }
 
 TEST(AnalyticalExamples, BranchedSuperStiffButAnalytical)
 {
-  /*
-   * A1 -> B, k1
-   * A2 -> B, k1
-   * A1 -> A2, k3 >>> k1
-   * A2 -> A1, k4 >>> k1
-   * B -> C, k2
-   *
-   */
-
-  auto a1 = micm::Species("A1");
-  auto a2 = micm::Species("A2");
-  auto b = micm::Species("B");
-  auto c = micm::Species("C");
-
-  micm::Phase gas_phase{ std::vector<micm::Species>{ a1, a2, b, c } };
-
-  micm::Process r1 =
-      micm::Process::create()
-          .reactants({ a1 })
-          .products({ yields(b, 1) })
-          .rate_constant(micm::BranchedRateConstant({ .branch_ = micm::BranchedRateConstantParameters::Branch::Alkoxy,
-                                                      .X_ = 1.2,
-                                                      .Y_ = 204.3,
-                                                      .a0_ = 1.0e-3,
-                                                      .n_ = 2 }))
-          .phase(gas_phase);
-
-  micm::Process r2 =
-      micm::Process::create()
-          .reactants({ a2 })
-          .products({ yields(b, 1) })
-          .rate_constant(micm::BranchedRateConstant({ .branch_ = micm::BranchedRateConstantParameters::Branch::Alkoxy,
-                                                      .X_ = 1.2,
-                                                      .Y_ = 204.3,
-                                                      .a0_ = 1.0e-3,
-                                                      .n_ = 2 }))
-          .phase(gas_phase);
-
-  micm::Process r3 =
-      micm::Process::create()
-          .reactants({ b })
-          .products({ yields(c, 1) })
-          .rate_constant(micm::BranchedRateConstant({ .branch_ = micm::BranchedRateConstantParameters::Branch::Nitrate,
-                                                      .X_ = 1.2,
-                                                      .Y_ = 204.3,
-                                                      .a0_ = 1.0e-3,
-                                                      .n_ = 2 }))
-          .phase(gas_phase);
-
-  micm::Process r4 = micm::Process::create()
-                         .reactants({ a1 })
-                         .products({ yields(a2, 1) })
-                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 4.0e10 }))
-                         .phase(gas_phase);
-
-  micm::Process r5 = micm::Process::create()
-                         .reactants({ a2 })
-                         .products({ yields(a1, 1) })
-                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 0.9 * 4.0e10 }))
-                         .phase(gas_phase);
-
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2, r3, r4, r5 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
-
-  double temperature = 272.5;
-  double pressure = 101253.3;
-  double air_density = 1e6;
-
-  // A->B reaction rate
-  double air_dens_n_cm3 = air_density * AVOGADRO_CONSTANT * 1.0e-6;
-  double a_ = 2.0e-22 * std::exp(2) * 2.45e19;
-  double b_ = 0.43 * std::pow((293.0 / 298.0), -8.0);
-  double z = a_ / (1.0 + a_ / b_) * std::pow(0.41, 1.0 / (1.0 + std::pow(std::log10(a_ / b_), 2))) * (1.0 - 1.0e-3) / 1.0e-3;
-  a_ = 2.0e-22 * std::exp(2) * air_dens_n_cm3;
-  b_ = 0.43 * std::pow((temperature / 298.0), -8.0);
-  double A = a_ / (1.0 + a_ / b_) * std::pow(0.41, 1.0 / (1.0 + std::pow(std::log10(a_ / b_), 2)));
-
-  double k1 = 1.2 * std::exp(-204.3 / temperature) * (z / (z + A));
-
-  // B->C reaction rate
-  a_ = 2.0e-22 * std::exp(2) * 2.45e19;
-  b_ = 0.43 * std::pow((293.0 / 298.0), -8.0);
-  z = a_ / (1.0 + a_ / b_) * std::pow(0.41, 1.0 / (1.0 + std::pow(std::log10(a_ / b_), 2))) * (1.0 - 1.0e-3) / 1.0e-3;
-  a_ = 2.0e-22 * std::exp(2) * air_dens_n_cm3;
-  b_ = 0.43 * std::pow((temperature / 298.0), -8.0);
-  A = a_ / (1.0 + a_ / b_) * std::pow(0.41, 1.0 / (1.0 + std::pow(std::log10(a_ / b_), 2)));
-
-  double k2 = 1.2 * std::exp(-204.3 / temperature) * (A / (z + A));
-
-  double time_step = 1.0;
-  micm::State<micm::Matrix> state = solver.GetState();
-
-  std::vector<std::vector<double>> model_concentrations(nsteps, std::vector<double>(4));
-  std::vector<std::vector<double>> analytical_concentrations(nsteps, std::vector<double>(3));
-
-  state.SetConcentration(a1, 0.5);
-  state.SetConcentration(a2, 0.5);
-  state.SetConcentration(b, 0.0);
-  state.SetConcentration(c, 0.0);
-
-  model_concentrations[0] = state.variables_[0];
-  analytical_concentrations[0] = { 1, 0, 0 };
-
-  state.variables_[0] = model_concentrations[0];
-  state.conditions_[0].temperature_ = temperature;
-  state.conditions_[0].pressure_ = pressure;
-  state.conditions_[0].air_density_ = air_density;
-
-  size_t idx_A = 0, idx_B = 1, idx_C = 2;
-
-  std::vector<double> times;
-  times.push_back(0);
-  for (size_t i_time = 1; i_time < nsteps; ++i_time)
-  {
-    times.push_back(time_step);
-    // Model results
-    auto result = solver.Solve(time_step, state);
-    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
-    model_concentrations[i_time] = result.result_.AsVector();
-    state.variables_[0] = result.result_.AsVector();
-
-    // Analytical results
-    double time = i_time * time_step;
-
-    double initial_A = analytical_concentrations[0][idx_A];
-    analytical_concentrations[i_time][idx_A] = initial_A * std::exp(-(k1)*time);
-    analytical_concentrations[i_time][idx_B] = initial_A * (k1 / (k2 - k1)) * (std::exp(-k1 * time) - std::exp(-k2 * time));
-
-    analytical_concentrations[i_time][idx_C] =
-        initial_A * (1.0 + (k1 * std::exp(-k2 * time) - k2 * std::exp(-k1 * time)) / (k2 - k1));
-  }
-
-  auto header = state.variable_names_;
-  header.insert(header.begin(), "time");
-  writeCSV("stiff_model_concentrations.csv", header, model_concentrations, times);
-
-  auto map = state.variable_map_;
-
-  size_t _a1 = map.at("A1");
-  size_t _a2 = map.at("A2");
-  size_t _b = map.at("B");
-  size_t _c = map.at("C");
-
-  for (size_t i = 0; i < model_concentrations.size(); ++i)
-  {
-    EXPECT_NEAR(model_concentrations[i][_a1] + model_concentrations[i][_a2], analytical_concentrations[i][0], 1e-3)
-        << "Arrays differ at index (" << i << ", " << 0 << ")";
-    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], 1e-3)
-        << "Arrays differ at index (" << i << ", " << 1 << ")";
-    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], 1e-3)
-        << "Arrays differ at index (" << i << ", " << 2 << ")";
-  }
+  test_analytical_stiff_branched<micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>>(
+      [](const micm::System& s,
+         const std::vector<micm::Process>& p) -> micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>
+      {
+        return micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>{
+          s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
 }
 
 TEST(AnalyticalExamples, Robertson)
 {
-  /*
-   * A -> B, k1 = 0.04
-   * B + B -> C + B, k2 = 3e7
-   * B + C -> A + C, k3 = 1e4
-   *
-   * this problem is described in
-   * Hairer, E., Wanner, G., 1996. Solving Ordinary Differential Equations II: Stiff and Differential-Algebraic Problems, 2nd
-   * edition. ed. Springer, Berlin ; New York. Page 3
-   *
-   * solutions are provided here
-   * https://www.unige.ch/~hairer/testset/testset.html
-   */
-
-  auto a = micm::Species("A");
-  auto b = micm::Species("B");
-  auto c = micm::Species("C");
-
-  micm::Phase gas_phase{ std::vector<micm::Species>{ a, b, c } };
-
-  micm::Process r1 = micm::Process::create()
-                         .reactants({ a })
-                         .products({ yields(b, 1) })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r1" }))
-                         .phase(gas_phase);
-
-  micm::Process r2 = micm::Process::create()
-                         .reactants({ b, b })
-                         .products({ yields(b, 1), yields(c, 1) })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r2" }))
-                         .phase(gas_phase);
-
-  micm::Process r3 = micm::Process::create()
-                         .reactants({ b, c })
-                         .products({ yields(a, 1), yields(c, 1) })
-                         .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r3" }))
-                         .phase(gas_phase);
-
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2, r3 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
-
-  double temperature = 272.5;
-  double pressure = 101253.3;
-  double air_density = 1e6;
-
-  micm::State<micm::Matrix> state = solver.GetState();
-
-  double k1 = 0.04;
-  double k2 = 3e7;
-  double k3 = 1e4;
-
-  state.SetCustomRateParameter("r1", k1);
-  state.SetCustomRateParameter("r2", k2);
-  state.SetCustomRateParameter("r3", k3);
-
-  constexpr size_t N = 12;
-
-  std::vector<std::vector<double>> model_concentrations(N + 1, std::vector<double>(3));
-  std::vector<std::vector<double>> analytical_concentrations(N + 1, std::vector<double>(3));
-
-  model_concentrations[0] = { 1, 0, 0 };
-
-  analytical_concentrations = { { 1, 0, 0 },
-                                { 0.9664597373330035E+00, 0.3074626578578675E-04, 0.3350951640121071E-01 },
-                                { 0.8413699238414729E+00, 0.1623390937990473E-04, 0.1586138422491472E+00 },
-                                { 0.6172348823960878E+00, 0.6153591274639123E-05, 0.3827589640126376E+00 },
-                                { 0.3368745306607069E+00, 0.2013702318261393E-05, 0.6631234556369748E+00 },
-                                { 0.1073004285378040E+00, 0.4800166972571660E-06, 0.8926990914454987E+00 },
-                                { 0.1786592114209946E-01, 0.7274751468436319E-07, 0.9821340061103859E+00 },
-                                { 0.2031483924973415E-02, 0.8142277783356159E-08, 0.9979685079327488E+00 },
-                                { 0.2076093439016395E-03, 0.8306077485067610E-09, 0.9997923898254906E+00 },
-                                { 0.2082417512179460E-04, 0.8329841429908955E-10, 0.9999791757415798E+00 },
-                                { 0.2083229471647004E-05, 0.8332935037760723E-11, 0.9999979167621954E+00 },
-                                { 0.2083328471883087E-06, 0.8333315602809495E-12, 0.9999997916663195E+00 },
-                                { 0.2083340149701284E-07, 0.8333360770334744E-13, 0.9999999791665152E+00 } };
-
-  state.variables_[0] = model_concentrations[0];
-  state.conditions_[0].temperature_ = temperature;
-  state.conditions_[0].pressure_ = pressure;
-  state.conditions_[0].air_density_ = air_density;
-
-  double time_step = 1.0;
-  std::vector<double> times;
-  times.push_back(0);
-  for (size_t i_time = 0; i_time < N; ++i_time)
-  {
-    double solve_time = time_step + i_time * time_step;
-    times.push_back(solve_time);
-    // Model results
-    double actual_solve = 0;
-    while (actual_solve < time_step)
-    {
-      auto result = solver.Solve(time_step - actual_solve, state);
-      state.variables_[0] = result.result_.AsVector();
-      actual_solve += result.final_time_;
-    }
-    model_concentrations[i_time + 1] = state.variables_[0];
-    time_step *= 10;
-  }
-
-  std::vector<std::string> header = { "time", "A", "B", "C" };
-  writeCSV("model_concentrations.csv", header, model_concentrations, times);
-  writeCSV("analytical_concentrations.csv", header, analytical_concentrations, times);
-
-  auto map = state.variable_map_;
-
-  size_t _a = map.at("A");
-  size_t _b = map.at("B");
-  size_t _c = map.at("C");
-
-  double tol = 1e-1;
-  for (size_t i = 0; i < model_concentrations.size(); ++i)
-  {
-    EXPECT_NEAR(model_concentrations[i][_a], analytical_concentrations[i][0], tol)
-        << "Arrays differ at index (" << i << ", " << 0 << ")";
-    EXPECT_NEAR(model_concentrations[i][_b], analytical_concentrations[i][1], tol)
-        << "Arrays differ at index (" << i << ", " << 1 << ")";
-    EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], tol)
-        << "Arrays differ at index (" << i << ", " << 2 << ")";
-  }
+  test_analytical_robertson<micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>>(
+      [](const micm::System& s,
+         const std::vector<micm::Process>& p) -> micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>
+      {
+        return micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>{
+          s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
 }
 
 TEST(AnalyticalExamples, Oregonator)

From f7a7c50529f87f45c5561eb0a1fb37eeedce38c8 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 4 Oct 2023 14:10:29 -0500
Subject: [PATCH 075/318] adding more instructions to contributors guide

---
 docs/source/contributing/index.rst            | 92 ++++++++++++++++++-
 .../user_guide/rate_constant_tutorial.rst     |  2 +-
 2 files changed, 91 insertions(+), 3 deletions(-)

diff --git a/docs/source/contributing/index.rst b/docs/source/contributing/index.rst
index 3acf97464..a444df2da 100644
--- a/docs/source/contributing/index.rst
+++ b/docs/source/contributing/index.rst
@@ -3,11 +3,99 @@ Contributing
 ============
 
 For all proposed changes (bug fixes, new feature, documentation upates, etc.) please file
-and [issue](https://github.com/NCAR/micm/issues/new/choose) detailing what your ask is or what you intend to do.
+an `issue <https://github.com/NCAR/micm/issues/new/choose>`_ detailing what your ask is or what you intend to do.
 
 The NCAR software developers will work with you on that issue to help recommend implementations, work through questions,
 or provide other background knowledge.
 
+Testing
+-------
+
 Any code that you contribute must include associated unit tests or an integration test of some kind. Our tests run across
 various platforms and with different configurations automatically. By including tests that exercise your code, you help to
-minimize the amount of time debugging platform portability issues.
\ No newline at end of file
+minimize the amount of time debugging platform portability issues. Further, new features must include at least an example
+in our documentation.
+
+MICM collects code coverage statistics which is displayed on our homepage in a little badge
+
+.. image:: https://codecov.io/gh/NCAR/micm/branch/main/graph/badge.svg?token=ATGO4DKTMY
+    :target: https://codecov.io/gh/NCAR/micm
+    :alt: codecov badge
+
+This coverage is also reported from the code cov bot in most PRs, like `this one <https://github.com/NCAR/micm/pull/105>`_.
+The coverage amount from any PR must not drop because of code that you add. This means that added code is required to be tested.
+We don't require your code to have 100% test coverage since some edge cases (like poor configurations) or platforms (like GPUs)
+may not be testable in the github runners, but at minimum you must not remove test coverage where it exists.
+
+Style guide
+-----------
+We (mostly) follow the `Google C++ style guide <https://google.github.io/styleguide/cppguide.html>`_. Please attempt to do 
+the same to minimize comments on PRs. However, we are not dogmatic and reasonable exceptions are allowed, especially where they
+help to simplify code or API intefaces.
+
+After each PR is pulled, we have an automated github action that runs ``clang-format`` over our codebase, so don't worry too much
+about formatting your code. Some of that format may be removed anyway. No format configuration is liked by everyone, but the use
+of ``clang-format`` enforces some consistency which means moving from file to file shouldn't have a large congitive load on the developer.
+
+Setting up developer environments
+---------------------------------
+
+macOS
+^^^^^
+
+Linux
+^^^^^
+
+Windows
+^^^^^^^
+
+Building the documentation
+--------------------------
+
+All of our docs are stored in the ``docs`` directory. There are several python dependencies that need to install. To make 
+this easy, we provide a ``reuirements.txt`` file that you can use to install. 
+
+Virtualenv
+^^^^^^^^^^
+
+From the root directory of micm:
+
+.. code-block:: bash
+
+  pip install virtualenv 
+  virtualenv micm_env
+  source micm_env/bin/activate
+  cd docs 
+  pip install -r requirements.txt
+  cd .. && mkdir build && cd build
+  cmake -DBUILD_DOCS=ON ..
+  make docs
+  open docs/sphinx/index.html 
+
+Venv
+^^^^
+
+.. code-block:: bash
+
+  python -m venv micm_env
+  source micm_env/bin/activate
+  cd docs 
+  pip install -r requirements.txt
+  cd .. && mkdir build && cd build
+  cmake -DBUILD_DOCS=ON ..
+  make docs
+  open docs/sphinx/index.html 
+
+Conda
+^^^^^
+
+.. code-block:: bash
+
+  conda create --name micm_env python=3.8 -y
+  conda activate micm_env
+  cd docs 
+  pip install -r requirements.txt
+  cd .. && mkdir build && cd build
+  cmake -DBUILD_DOCS=ON ..
+  make docs
+  open docs/sphinx/index.html 
\ No newline at end of file
diff --git a/docs/source/user_guide/rate_constant_tutorial.rst b/docs/source/user_guide/rate_constant_tutorial.rst
index f3857e8b9..d4ae23515 100644
--- a/docs/source/user_guide/rate_constant_tutorial.rst
+++ b/docs/source/user_guide/rate_constant_tutorial.rst
@@ -152,7 +152,7 @@ Finally, we are ready to pick a timestep and solve the system.
 
   .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
     :language: cpp
-    :lines: 157-183
+    :lines: 149-173
 
 
 This is the output:

From 68de1919fe4a7e06f2a2aed9b26b7b710228bf91 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 4 Oct 2023 14:18:47 -0500
Subject: [PATCH 076/318] Update test/tutorial/test_README_example.cpp

Co-authored-by: Matt Dawson <mattdawson@ucar.edu>
---
 test/tutorial/test_README_example.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/test/tutorial/test_README_example.cpp b/test/tutorial/test_README_example.cpp
index c088bc466..91d379e92 100644
--- a/test/tutorial/test_README_example.cpp
+++ b/test/tutorial/test_README_example.cpp
@@ -38,7 +38,7 @@ int main(const int argc, const char *argv[])
   state.conditions_[0].pressure_ = 101319.9;   // Pa
   state.SetConcentration(foo, 20.0);           // mol m-3
 
-  std::cout << std::setw(5) << "time," 
+  std::cout << std::setw(5) << "time [s]," 
             << std::setw(13) << "foo, "
             << std::setw(12) << "bar, "
             << std::setw(10) << "baz" << std::endl;

From 467f618a1540ead9bcdf1532445fae9f6c40c344 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 4 Oct 2023 14:21:35 -0500
Subject: [PATCH 077/318] adding units to output

---
 README.md                             | 22 +++++++++++-----------
 docs/source/getting_started.rst       |  2 +-
 test/tutorial/test_README_example.cpp |  2 +-
 3 files changed, 13 insertions(+), 13 deletions(-)

diff --git a/README.md b/README.md
index 864c37224..d3298048d 100644
--- a/README.md
+++ b/README.md
@@ -144,17 +144,17 @@ g++ -o foo_chem foo_chem.cpp -I/usr/local/micm-3.1.0/include -std=c++20
 
 Output:
 ```
-time,        foo,        bar,        baz
-   0,  11.843503,   5.904845,   1.907012
-   1,   6.792023,   9.045965,   3.317336
-   2,   3.828700,  10.740589,   4.210461
-   3,   2.138145,  11.663685,   4.739393
-   4,   1.187934,  12.169452,   5.042503
-   5,   0.658129,  12.447502,   5.213261
-   6,   0.363985,  12.600676,   5.308597
-   7,   0.201076,  12.685147,   5.361559
-   8,   0.111028,  12.731727,   5.390884
-   9,   0.061290,  12.757422,   5.407096
+time [s],        foo,        bar,        baz
+       0,  11.843503,   5.904845,   1.907012
+       1,   6.792023,   9.045965,   3.317336
+       2,   3.828700,  10.740589,   4.210461
+       3,   2.138145,  11.663685,   4.739393
+       4,   1.187934,  12.169452,   5.042503
+       5,   0.658129,  12.447502,   5.213261
+       6,   0.363985,  12.600676,   5.308597
+       7,   0.201076,  12.685147,   5.361559
+       8,   0.111028,  12.731727,   5.390884
+       9,   0.061290,  12.757422,   5.407096
 ```
 # Citation
 
diff --git a/docs/source/getting_started.rst b/docs/source/getting_started.rst
index b33c4e8fb..deb94078a 100644
--- a/docs/source/getting_started.rst
+++ b/docs/source/getting_started.rst
@@ -89,7 +89,7 @@ To build and run the example using GNU::
 You should see an output including this
 
 .. csv-table::
-   :header: "time", "foo", "bar", "baz"
+   :header: "time [s]", "foo", "bar", "baz"
    :widths: 6, 10, 10, 10
 
       0,  11.843503,   5.904845,   1.907012
diff --git a/test/tutorial/test_README_example.cpp b/test/tutorial/test_README_example.cpp
index 91d379e92..bda19f04d 100644
--- a/test/tutorial/test_README_example.cpp
+++ b/test/tutorial/test_README_example.cpp
@@ -47,7 +47,7 @@ int main(const int argc, const char *argv[])
     auto result = solver.Solve(500.0, state);
     state.variables_ = result.result_;
     std::cout << std::fixed << std::setprecision(6) 
-              << std::setw(4) << i << ", "
+              << std::setw(8) << i << ", "
               << std::setw(10) << state.variables_[0][state.variable_map_["Foo"]] << ", "
               << std::setw(10) << state.variables_[0][state.variable_map_["Bar"]] << ", " 
               << std::setw(10) << state.variables_[0][state.variable_map_["Baz"]]

From 4c635a13b4b0b4b59bf742532c7464070fc28a04 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 4 Oct 2023 14:22:46 -0500
Subject: [PATCH 078/318] correcting time output

---
 README.md                             | 20 ++++++++++----------
 docs/source/getting_started.rst       | 20 ++++++++++----------
 test/tutorial/test_README_example.cpp |  2 +-
 3 files changed, 21 insertions(+), 21 deletions(-)

diff --git a/README.md b/README.md
index d3298048d..ef89ba8f3 100644
--- a/README.md
+++ b/README.md
@@ -145,16 +145,16 @@ g++ -o foo_chem foo_chem.cpp -I/usr/local/micm-3.1.0/include -std=c++20
 Output:
 ```
 time [s],        foo,        bar,        baz
-       0,  11.843503,   5.904845,   1.907012
-       1,   6.792023,   9.045965,   3.317336
-       2,   3.828700,  10.740589,   4.210461
-       3,   2.138145,  11.663685,   4.739393
-       4,   1.187934,  12.169452,   5.042503
-       5,   0.658129,  12.447502,   5.213261
-       6,   0.363985,  12.600676,   5.308597
-       7,   0.201076,  12.685147,   5.361559
-       8,   0.111028,  12.731727,   5.390884
-       9,   0.061290,  12.757422,   5.407096
+0.000000,  11.843503,   5.904845,   1.907012
+500.000000,   6.792023,   9.045965,   3.317336
+1000.000000,   3.828700,  10.740589,   4.210461
+1500.000000,   2.138145,  11.663685,   4.739393
+2000.000000,   1.187934,  12.169452,   5.042503
+2500.000000,   0.658129,  12.447502,   5.213261
+3000.000000,   0.363985,  12.600676,   5.308597
+3500.000000,   0.201076,  12.685147,   5.361559
+4000.000000,   0.111028,  12.731727,   5.390884
+4500.000000,   0.061290,  12.757422,   5.407096
 ```
 # Citation
 
diff --git a/docs/source/getting_started.rst b/docs/source/getting_started.rst
index deb94078a..8e531f5ea 100644
--- a/docs/source/getting_started.rst
+++ b/docs/source/getting_started.rst
@@ -92,14 +92,14 @@ You should see an output including this
    :header: "time [s]", "foo", "bar", "baz"
    :widths: 6, 10, 10, 10
 
-      0,  11.843503,   5.904845,   1.907012
-      1,   6.792023,   9.045965,   3.317336
-      2,   3.828700,  10.740589,   4.210461
-      3,   2.138145,  11.663685,   4.739393
-      4,   1.187934,  12.169452,   5.042503
-      5,   0.658129,  12.447502,   5.213261
-      6,   0.363985,  12.600676,   5.308597
-      7,   0.201076,  12.685147,   5.361559
-      8,   0.111028,  12.731727,   5.390884
-      9,   0.061290,  12.757422,   5.407096
+    0.000000,  11.843503,   5.904845,   1.907012
+    500.000000,   6.792023,   9.045965,   3.317336
+    1000.000000,   3.828700,  10.740589,   4.210461
+    1500.000000,   2.138145,  11.663685,   4.739393
+    2000.000000,   1.187934,  12.169452,   5.042503
+    2500.000000,   0.658129,  12.447502,   5.213261
+    3000.000000,   0.363985,  12.600676,   5.308597
+    3500.000000,   0.201076,  12.685147,   5.361559
+    4000.000000,   0.111028,  12.731727,   5.390884
+    4500.000000,   0.061290,  12.757422,   5.407096
 
diff --git a/test/tutorial/test_README_example.cpp b/test/tutorial/test_README_example.cpp
index bda19f04d..593020e65 100644
--- a/test/tutorial/test_README_example.cpp
+++ b/test/tutorial/test_README_example.cpp
@@ -47,7 +47,7 @@ int main(const int argc, const char *argv[])
     auto result = solver.Solve(500.0, state);
     state.variables_ = result.result_;
     std::cout << std::fixed << std::setprecision(6) 
-              << std::setw(8) << i << ", "
+              << std::setw(8) << i * 500.0 << ", "
               << std::setw(10) << state.variables_[0][state.variable_map_["Foo"]] << ", "
               << std::setw(10) << state.variables_[0][state.variable_map_["Bar"]] << ", " 
               << std::setw(10) << state.variables_[0][state.variable_map_["Baz"]]

From 729dbab24eaaf229c8dec47520af8e0cb1eff437 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 4 Oct 2023 14:23:24 -0500
Subject: [PATCH 079/318] Update docs/source/contributing/index.rst

Co-authored-by: Matt Dawson <mattdawson@ucar.edu>
---
 docs/source/contributing/index.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/contributing/index.rst b/docs/source/contributing/index.rst
index a444df2da..ef78029d9 100644
--- a/docs/source/contributing/index.rst
+++ b/docs/source/contributing/index.rst
@@ -11,7 +11,7 @@ or provide other background knowledge.
 Testing
 -------
 
-Any code that you contribute must include associated unit tests or an integration test of some kind. Our tests run across
+Any code that you contribute must include associated unit tests and an integration test of some kind. Our tests run across
 various platforms and with different configurations automatically. By including tests that exercise your code, you help to
 minimize the amount of time debugging platform portability issues. Further, new features must include at least an example
 in our documentation.

From 0a40c7dbedc6e122830b2ddb351f8e053f30529e Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 4 Oct 2023 14:23:30 -0500
Subject: [PATCH 080/318] Update docs/source/contributing/index.rst

Co-authored-by: Matt Dawson <mattdawson@ucar.edu>
---
 docs/source/contributing/index.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/contributing/index.rst b/docs/source/contributing/index.rst
index ef78029d9..3e5950e5b 100644
--- a/docs/source/contributing/index.rst
+++ b/docs/source/contributing/index.rst
@@ -53,7 +53,7 @@ Building the documentation
 --------------------------
 
 All of our docs are stored in the ``docs`` directory. There are several python dependencies that need to install. To make 
-this easy, we provide a ``reuirements.txt`` file that you can use to install. 
+this easy, we provide a ``requirements.txt`` file that you can use to install. 
 
 Virtualenv
 ^^^^^^^^^^

From affcb3b3add0f062ab04bc362426f98023c15871 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 4 Oct 2023 14:27:24 -0500
Subject: [PATCH 081/318] hopefully copying the switcher

---
 .github/workflows/gh_pages.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/gh_pages.yml b/.github/workflows/gh_pages.yml
index fd5eaaa7a..d32d350dc 100644
--- a/.github/workflows/gh_pages.yml
+++ b/.github/workflows/gh_pages.yml
@@ -67,13 +67,13 @@ jobs:
           docker cp $id:/build/docs/sphinx tmpdocs
           docker rm -v $id
           mv tmpdocs _build/html/versions/stable
-          mv docs/switcher.json _build/html
           # Delete everything under _gh-pages/ that is from the
           # primary branch deployment.  Excludes the other branches
           # _gh-pages/branch-* paths, and not including
           # _gh-pages itself.
           find _gh-pages/ -mindepth 1 ! -path '_gh-pages/branch*' ! -path '_gh-pages/versions*' -delete
           rsync -a _build/html/versions/stable/* _gh-pages/
+          mv docs/switcher.json _gh-pages
 
       # If a push and not on default branch, then copy the build to
       # _gh-pages/branch/$brname (transforming '/' into '--')

From 85f09d06a8d6f3d54f365de5a8a8762f438b0dda Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 4 Oct 2023 14:31:57 -0500
Subject: [PATCH 082/318] trying to enable more tests

---
 .github/workflows/test.yml | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
index 7de7b08ba..ad4cefd3d 100644
--- a/.github/workflows/test.yml
+++ b/.github/workflows/test.yml
@@ -18,8 +18,8 @@ jobs:
           - Dockerfile.memcheck
           - Dockerfile.no_json
           - Dockerfile.nvhpc
-          # - Dockerfile.intel # intel image is too large for GH action
-          # - Dockerfile.openmp
+          - Dockerfile.openmp
+          - Dockerfile.intel # intel image is too large for GH action
           # - Dockerfile.mpi
     steps:
       - name: Checkout code

From 837b43199254a0698726370fb286a163eb764d7e Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Wed, 4 Oct 2023 12:32:19 -0700
Subject: [PATCH 083/318] add CMake argument for vector matrix size

---
 CMakeLists.txt                                      | 3 +++
 include/micm/process/jit_process_set.hpp            | 2 +-
 include/micm/solver/jit_lu_decomposition.hpp        | 2 +-
 include/micm/solver/jit_rosenbrock.hpp              | 2 +-
 include/micm/util/sparse_matrix_vector_ordering.hpp | 7 +++++--
 include/micm/util/vector_matrix.hpp                 | 6 +++++-
 6 files changed, 16 insertions(+), 6 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index a74139d93..12ee0dca4 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -41,6 +41,7 @@ option(BUILD_DOCS "Build the documentation" OFF)
 option(ENABLE_CUDA "Build with Cuda support" OFF)
 option(ENABLE_OPENACC "Build with OpenACC Support" OFF)
 option(ENABLE_LLVM "Build with LLVM support for JIT-compiling" OFF)
+set(DEFAULT_VECTOR_MATRIX_SIZE "4" CACHE STRING "Default size for vectorizable matrix types")
 
 include(CMakeDependentOption)
 # Option to collect custom OpenACC flags
@@ -51,6 +52,8 @@ if(ENABLE_GPU_TYPE)
   set(GPU_TYPE "" CACHE STRING "The GPU type being targeted")
 endif()
 
+add_compile_definitions(DEFAULT_VECTOR_SIZE=${DEFAULT_VECTOR_MATRIX_SIZE})
+
 ################################################################################
 # Dependencies
 
diff --git a/include/micm/process/jit_process_set.hpp b/include/micm/process/jit_process_set.hpp
index 73ce47c08..ef3926beb 100644
--- a/include/micm/process/jit_process_set.hpp
+++ b/include/micm/process/jit_process_set.hpp
@@ -14,7 +14,7 @@ namespace micm
 
   /// @brief JIT-compiled solver function calculators for a collection of processes
   ///        The template parameter is the number of grid cells to solve simultaneously
-  template<std::size_t L>
+  template<std::size_t L = DEFAULT_VECTOR_SIZE>
   class JitProcessSet : public ProcessSet
   {
     std::shared_ptr<JitCompiler> compiler_;
diff --git a/include/micm/solver/jit_lu_decomposition.hpp b/include/micm/solver/jit_lu_decomposition.hpp
index 61ed48194..f9a2aca5e 100644
--- a/include/micm/solver/jit_lu_decomposition.hpp
+++ b/include/micm/solver/jit_lu_decomposition.hpp
@@ -15,7 +15,7 @@ namespace micm
   ///
   /// See LuDecomposition class description for algorithm details
   /// The template parameter is the number of blocks (i.e. grid cells) in the block-diagonal matrix
-  template<std::size_t L>
+  template<std::size_t L = DEFAULT_VECTOR_SIZE>
   class JitLuDecomposition : public LuDecomposition
   {
     std::shared_ptr<JitCompiler> compiler_;
diff --git a/include/micm/solver/jit_rosenbrock.hpp b/include/micm/solver/jit_rosenbrock.hpp
index 14fd8b656..3380ed713 100644
--- a/include/micm/solver/jit_rosenbrock.hpp
+++ b/include/micm/solver/jit_rosenbrock.hpp
@@ -30,7 +30,7 @@ namespace micm
   template<
       template<class> class MatrixPolicy = VectorMatrix,
       template<class> class SparseMatrixPolicy = VectorSparseMatrix,
-      class LinearSolverPolicy = JitLinearSolver<4, SparseMatrixPolicy>>
+      class LinearSolverPolicy = JitLinearSolver<DEFAULT_VECTOR_SIZE, SparseMatrixPolicy>>
   class JitRosenbrockSolver : public RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
   {
     std::shared_ptr<JitCompiler> compiler_;
diff --git a/include/micm/util/sparse_matrix_vector_ordering.hpp b/include/micm/util/sparse_matrix_vector_ordering.hpp
index eaa7b84d8..19f76e668 100644
--- a/include/micm/util/sparse_matrix_vector_ordering.hpp
+++ b/include/micm/util/sparse_matrix_vector_ordering.hpp
@@ -4,6 +4,9 @@
 #pragma once
 
 #include <cmath>
+
+#include "vector_matrix.hpp"
+
 namespace micm
 {
 
@@ -15,7 +18,7 @@ namespace micm
   ///
   /// The template argument is the number of blocks per set of blocks and should be
   /// approximately the size of the vector register.
-  template<std::size_t L = 4>
+  template<std::size_t L = DEFAULT_VECTOR_SIZE>
   class SparseMatrixVectorOrdering
   {
    protected:
@@ -64,6 +67,6 @@ namespace micm
 
   // Default vectorized SparseMatrix
   template<class T>
-  using VectorSparseMatrix = SparseMatrix<T, SparseMatrixVectorOrdering<4>>;
+  using VectorSparseMatrix = SparseMatrix<T, SparseMatrixVectorOrdering<DEFAULT_VECTOR_SIZE>>;
 
 }  // namespace micm
\ No newline at end of file
diff --git a/include/micm/util/vector_matrix.hpp b/include/micm/util/vector_matrix.hpp
index 32000cef6..a8507f6f9 100644
--- a/include/micm/util/vector_matrix.hpp
+++ b/include/micm/util/vector_matrix.hpp
@@ -9,6 +9,10 @@
 #include <micm/util/exit_codes.hpp>
 #include <vector>
 
+#ifndef DEFAULT_VECTOR_SIZE
+#  define DEFAULT_VECTOR_SIZE 4
+#endif
+
 namespace micm
 {
 
@@ -19,7 +23,7 @@ namespace micm
   ///
   /// The template arguments are the type of the matrix elements and the size of the number
   /// of rows per group.
-  template<class T, std::size_t L = 4>
+  template<class T, std::size_t L = DEFAULT_VECTOR_SIZE>
   class VectorMatrix
   {
     std::vector<T> data_;

From c73dcdbf48f7fcc7ca4a8c6b2edcad3c14946284 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 4 Oct 2023 14:37:49 -0500
Subject: [PATCH 084/318] intel is still too large

---
 .github/workflows/test.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
index ad4cefd3d..508ed8233 100644
--- a/.github/workflows/test.yml
+++ b/.github/workflows/test.yml
@@ -19,7 +19,7 @@ jobs:
           - Dockerfile.no_json
           - Dockerfile.nvhpc
           - Dockerfile.openmp
-          - Dockerfile.intel # intel image is too large for GH action
+          # - Dockerfile.intel # intel image is too large for GH action
           # - Dockerfile.mpi
     steps:
       - name: Checkout code

From 9d7cff9bf56abbf648a9c9b58e318723303f8ea1 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 4 Oct 2023 14:40:24 -0500
Subject: [PATCH 085/318] only running one version of the xcode tests

---
 .github/workflows/test.yml | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
index 508ed8233..015e00bfc 100644
--- a/.github/workflows/test.yml
+++ b/.github/workflows/test.yml
@@ -106,6 +106,7 @@ jobs:
           ctest -C Debug --rerun-failed --output-on-failure . --verbose
 
   xcode_1:
+    if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.event.pull_request.base.repo.full_name
     runs-on: macos-12
     strategy:
       matrix:
@@ -129,6 +130,7 @@ jobs:
           ctest --rerun-failed --output-on-failure . --verbose -j 10
 
   xcode_2:
+    if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.event.pull_request.base.repo.full_name
     runs-on: macos-13
     strategy:
       matrix:

From 63ace0fd26cff83bccea8e2ac6beba5bc61aa66e Mon Sep 17 00:00:00 2001
From: Qina Tan <72781532+qinatan@users.noreply.github.com>
Date: Wed, 4 Oct 2023 13:46:07 -0600
Subject: [PATCH 086/318] Decompose cuda (#257)

* work in progress

* work in progress

* test first step

* typo

* changed template

* changed template

* debug

* debug

* added matrixParam to AddForcingTermsKernelDriver

* changed header

* debug

* debug

* debug

* test

* passing vector_matrix directly

* debug

* implemented simple class

* add std::vector

* debug

* ahhh

* passing 3 matrix data as a group

* deleted const

* debug

* debug

* debug

* debug

* debug

* added matrix data in a group for AddJacobianFunction

* debug

* store d_rate_constants in struct pointer

* using cudaMallocManaged

* using cudaMallocManaged

* using cudaMallocManaged

* device strcut

* get all pointers into struct for AddJacobian

* debug

* debug

* passed?

* passing struct of processSet to kernelDriver

* clean up

* removed header

* group processSet data members into struct

* minor fix

* minor fix

* get rid of micm from struct

* debug

* debug

* minor fix

* minor fix

* minor fix

* clean up

* debug

* test

* clean up

* clean up

* clean up

* clean up

* test

* test out for storing pointer to variable

* store reused device pointer to variable in kernel

* store reused device pointer to variable in kernel

* work in progress - 8/31

* added struct for sparseMatrix

* added struct for sparseMatrix

* sparse matrix in struct

* compiling test

* compiling test

* test run for decompose

* test run for decompose function

* edited cmake

* minor fix

* test

* test for passing std::vector to .cu file

* testing for thrust

* moved all vectors

* test

* cleanup

* minor fix

* cleanup

* added header file for vector

* minor fix

* debug

* chnage ngrids in test

* checking on cpu code

* bug

* trying for smaller thrust vector

* vector reallocation failed?

* small bug

* test memory allocation

* clean up vectors

* added const

* debug

* no more vector

* added const

* removed header

* added cmake

* edited header file

* debug

* debug

* change dot operator

* testing

* test

* small bug

* test

* testing

* testing cpu code

* changed kernel config

* changed kernel config

* changed kernel config

* checking pair reference in GPU

* debug

* debug

* bug

* transfer data from device to data

* transfer data

* get rid of i++

* test

* bug

* bug

* bug

* inside the kernel

* debug with print statement

* debug print

* modified test

* print

* print statement

* print

* test

* debug

* debug

* printing aik

* debug

* get rid of ++ inside []

* debug

* changed

* changed

* changed

* test

* test

* print test

* testing for one grid

* testing for one grid

* print A sparseMatrix

* print

* print A outside of kernel

* printing A with pointer

* printing A with pointer

* print A

* check

* print lf

* print lf

* test

* added synchronization

* try to print with hd

* test

* check

* check

* test

* print

* test

* checking niLU second

* test

* check

* test

* debug

* test

* test

* added more print

* added more print

* test

* test

* more debug

* more print

* test

* more print

* more print

* more print

* more print

* more print

* more print

* more print

* more print

* test

* more print

* test

* more print

* more print

* more print

* more print

* more print

* test

* test

* test

* print

* print

* print

* pass? cleanup

* changed to expect_near to expect_eq

* changed back to expect_near

* used constructor from base class

* eliminated dervied class constructor

* added underscore to all struct members

* added more underscore

* added more underscore

* added more underscore

* more modification

* added time measurement

* GPU test against CPU

* added time measurement

* added time measurement

* vector

* addSparseMatrix template

* test

* typo

* added std to vector

* minor change

* incremental change made to processSet

* modified cuda_process_set.cuh

* changed to device struct
---
 include/micm/process/cuda_process_set.cuh     |  14 +-
 include/micm/process/cuda_process_set.hpp     |  85 +++----
 include/micm/solver/cuda_lu_decomposition.cuh |  15 ++
 include/micm/solver/cuda_lu_decomposition.hpp |  70 ++++++
 include/micm/solver/lu_decomposition.hpp      |  13 +-
 include/micm/util/cuda_param.hpp              |  88 ++++---
 src/CMakeLists.txt                            |   3 +-
 src/process/process_set.cu                    | 225 +++++++++---------
 src/solver/CMakeLists.txt                     |   6 +
 src/solver/lu_decomposition.cu                | 184 ++++++++++++++
 test/unit/process/test_cuda_process_set.cpp   |   3 +-
 test/unit/solver/CMakeLists.txt               |   5 +
 .../solver/test_cuda_lu_decomposition.cpp     | 121 ++++++++++
 13 files changed, 636 insertions(+), 196 deletions(-)
 create mode 100644 include/micm/solver/cuda_lu_decomposition.cuh
 create mode 100644 include/micm/solver/cuda_lu_decomposition.hpp
 create mode 100644 src/solver/CMakeLists.txt
 create mode 100644 src/solver/lu_decomposition.cu
 create mode 100644 test/unit/solver/test_cuda_lu_decomposition.cpp

diff --git a/include/micm/process/cuda_process_set.cuh b/include/micm/process/cuda_process_set.cuh
index 088d25f34..38cb81113 100644
--- a/include/micm/process/cuda_process_set.cuh
+++ b/include/micm/process/cuda_process_set.cuh
@@ -1,17 +1,21 @@
+// Copyright (C) 2023 National Center for Atmospheric Research,
+//
+// SPDX-License-Identifier: Apache-2.0
 #pragma once
 #include <micm/util/cuda_param.hpp>
+#include <micm/util/cuda_param.hpp>
 
 namespace micm
 {
   namespace cuda
   {
     std::chrono::nanoseconds AddForcingTermsKernelDriver(
-        CUDAMatrixParam& matrixParam,
-        CUDAProcessSetParam& processSet); 
+        CudaMatrixParam& matrixParam,
+        CudaProcessSetParam& processSet); 
 
     std::chrono::nanoseconds AddJacobianTermsKernelDriver(
-        CUDAMatrixParam& matrixParam, 
-        CUDASparseMatrixParam& sparseMatrix, 
-        CUDAProcessSetParam& processSet);
+        CudaMatrixParam& matrixParam, 
+        CudaSparseMatrixParam& sparseMatrix, 
+        CudaProcessSetParam& processSet);
   }  // namespace cuda
 }  // namespace micm
diff --git a/include/micm/process/cuda_process_set.hpp b/include/micm/process/cuda_process_set.hpp
index 97edd9f89..f7ced87ab 100644
--- a/include/micm/process/cuda_process_set.hpp
+++ b/include/micm/process/cuda_process_set.hpp
@@ -5,6 +5,7 @@
 
 #include <micm/process/process_set.hpp>
 #include <micm/util/cuda_param.hpp>
+#include <micm/util/cuda_param.hpp>
 
 #ifdef USE_CUDA
 #  include <micm/process/cuda_process_set.cuh>
@@ -52,25 +53,27 @@ namespace micm
       const MatrixPolicy<double>& state_variables,
       MatrixPolicy<double>& forcing) const
   {
-    CUDAMatrixParam matrixParam;
-    matrixParam.rate_constants = rate_constants.AsVector().data();
-    matrixParam.state_variables = state_variables.AsVector().data();
-    matrixParam.forcing = forcing.AsVector().data();
-    matrixParam.n_grids = rate_constants.size();
-    matrixParam.n_reactions = rate_constants[0].size();
-    matrixParam.n_species = state_variables[0].size();
+    CudaMatrixParam matrix;
+    matrix.rate_constants_ = rate_constants.AsVector().data(); 
+    matrix.state_variables_ = state_variables.AsVector().data(); 
+    matrix.forcing_ = forcing.AsVector().data(); 
+    matrix.n_grids_ = rate_constants.size(); 
+    matrix.n_reactions_ = rate_constants[0].size(); 
+    matrix.n_species_ = state_variables[0].size();
 
-    CUDAProcessSetParam processSet;
-    processSet.number_of_reactants = number_of_reactants_.data();
-    processSet.reactant_ids = reactant_ids_.data();
-    processSet.reactant_ids_size = reactant_ids_.size();
-    processSet.number_of_products = number_of_products_.data();
-    processSet.product_ids = product_ids_.data();
-    processSet.product_ids_size = product_ids_.size();
-    processSet.yields = yields_.data();
-    processSet.yields_size = yields_.size();
+    CudaProcessSetParam processSet; 
+    processSet.number_of_reactants_ = number_of_reactants_.data(); 
+    processSet.reactant_ids_ = reactant_ids_.data(); 
+    processSet.reactant_ids_size_ = reactant_ids_.size(); 
+    processSet.number_of_products_ = number_of_products_.data(); 
+    processSet.product_ids_ = product_ids_.data(); 
+    processSet.product_ids_size_ = product_ids_.size(); 
+    processSet.yields_ = yields_.data(); 
+    processSet.yields_size_ = yields_.size(); 
 
-    std::chrono::nanoseconds kernel_duration = micm::cuda::AddForcingTermsKernelDriver(matrixParam, processSet);
+    std::chrono::nanoseconds kernel_duration = micm::cuda::AddForcingTermsKernelDriver(
+        matrix,
+        processSet);
     return kernel_duration;  // time performance of kernel function
   }
   template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
@@ -80,29 +83,31 @@ namespace micm
       const MatrixPolicy<double>& state_variables,
       SparseMatrixPolicy<double>& jacobian) const
   {
-    CUDAMatrixParam matrixParam;
-    matrixParam.rate_constants = rate_constants.AsVector().data();
-    matrixParam.state_variables = state_variables.AsVector().data();
-    matrixParam.n_grids = rate_constants.size();
-    matrixParam.n_reactions = rate_constants[0].size();
-    matrixParam.n_species = state_variables[0].size();
-
-    CUDASparseMatrixParam sparseMatrix;
-    sparseMatrix.jacobian = jacobian.AsVector().data();
-    sparseMatrix.jacobian_size = jacobian.AsVector().size();
-
-    CUDAProcessSetParam processSet;
-    processSet.number_of_reactants = number_of_reactants_.data();
-    processSet.reactant_ids = reactant_ids_.data();
-    processSet.reactant_ids_size = reactant_ids_.size();
-    processSet.number_of_products = number_of_products_.data();
-    processSet.yields = yields_.data();
-    processSet.yields_size = yields_.size();
-    processSet.jacobian_flat_ids = jacobian_flat_ids_.data();
-    processSet.jacobian_flat_ids_size = jacobian_flat_ids_.size();
-
-    std::chrono::nanoseconds kernel_duration =
-        micm::cuda::AddJacobianTermsKernelDriver(matrixParam, sparseMatrix, processSet);
+    CudaMatrixParam matrix; 
+    matrix.rate_constants_ = rate_constants.AsVector().data(); 
+    matrix.state_variables_ = state_variables.AsVector().data(); 
+    matrix.n_grids_ = rate_constants.size(); 
+    matrix.n_reactions_ = rate_constants[0].size(); 
+    matrix.n_species_ = state_variables[0].size(); 
+    
+    CudaSparseMatrixParam sparseMatrix; 
+    sparseMatrix.jacobian_ = jacobian.AsVector().data(); 
+    sparseMatrix.jacobian_size_ = jacobian.AsVector().size(); 
+    
+    CudaProcessSetParam processSet; 
+    processSet.number_of_reactants_ = number_of_reactants_.data(); 
+    processSet.reactant_ids_ = reactant_ids_.data(); 
+    processSet.reactant_ids_size_ = reactant_ids_.size(); 
+    processSet.number_of_products_ = number_of_products_.data(); 
+    processSet.yields_ = yields_.data(); 
+    processSet.yields_size_ = yields_.size(); 
+    processSet.jacobian_flat_ids_ = jacobian_flat_ids_.data(); 
+    processSet.jacobian_flat_ids_size_ = jacobian_flat_ids_.size(); 
+    
+    std::chrono::nanoseconds kernel_duration = micm::cuda::AddJacobianTermsKernelDriver(
+        matrix, 
+        sparseMatrix, 
+        processSet);
     return kernel_duration;  // time performance of kernel function
   }
 }  // namespace micm
diff --git a/include/micm/solver/cuda_lu_decomposition.cuh b/include/micm/solver/cuda_lu_decomposition.cuh
new file mode 100644
index 000000000..70ff61fbe
--- /dev/null
+++ b/include/micm/solver/cuda_lu_decomposition.cuh
@@ -0,0 +1,15 @@
+// Copyright (C) 2023 National Center for Atmospheric Research,
+//
+// SPDX-License-Identifier: Apache-2.0
+#pragma once
+#include <micm/util/cuda_param.hpp>
+#include <vector>
+namespace micm
+{
+  namespace cuda
+  {
+    std::chrono::nanoseconds DecomposeKernelDriver(
+            CudaSparseMatrixParam& sparseMatrix, 
+            CudaSolverParam& solver);
+  }  // namespace cuda
+}  // namespace micm
diff --git a/include/micm/solver/cuda_lu_decomposition.hpp b/include/micm/solver/cuda_lu_decomposition.hpp
new file mode 100644
index 000000000..f5aa469cd
--- /dev/null
+++ b/include/micm/solver/cuda_lu_decomposition.hpp
@@ -0,0 +1,70 @@
+// Copyright (C) 2023 National Center for Atmospheric Research,
+//
+// SPDX-License-Identifier: Apache-2.0
+#pragma once
+#include<micm/solver/lu_decomposition.hpp>
+#include<micm/util/cuda_param.hpp>
+#include <stdexcept>
+#include <chrono>
+#ifdef USE_CUDA
+#include <micm/solver/cuda_lu_decomposition.cuh>
+#endif 
+
+#ifdef USE_CUDA
+namespace micm{
+    class CudaLuDecomposition: public LuDecomposition{
+    public: 
+    CudaLuDecomposition(){}; 
+    
+    template<typename T, template<class> typename SparseMatrixPolicy>
+    requires VectorizableSparse<SparseMatrixPolicy<T>>
+    std::chrono::nanoseconds Decompose(
+        const SparseMatrixPolicy<T>&A, 
+        SparseMatrixPolicy<T>& L, 
+        SparseMatrixPolicy<T>& U) const; 
+    }; 
+
+    template<typename T, template<class> class SparseMatrixPolicy>
+    requires(VectorizableSparse<SparseMatrixPolicy<T>>) 
+    std::chrono::nanoseconds CudaLuDecomposition::Decompose(
+        const SparseMatrixPolicy<T>& A, 
+        SparseMatrixPolicy<T>& L, 
+        SparseMatrixPolicy<T>& U) const
+    {
+        CudaSparseMatrixParam sparseMatrix; 
+        sparseMatrix.A_ = A.AsVector().data(); 
+        sparseMatrix.A_size_ = A.AsVector().size(); 
+        sparseMatrix.L_ = L.AsVector().data(); 
+        sparseMatrix.L_size_ = L.AsVector().size(); 
+        sparseMatrix.U_ = U.AsVector().data(); 
+        sparseMatrix.U_size_ = U.AsVector().size(); 
+        sparseMatrix.n_grids_ = A.size(); 
+        
+        CudaSolverParam solver;    
+        solver.do_aik_ = do_aik_.data(); 
+        solver.do_aik_size_ = do_aik_.size(); 
+        solver.aik_ = aik_.data(); 
+        solver.aik_size_ = aik_.size(); 
+        solver.do_aki_ = do_aki_.data(); 
+        solver.do_aki_size_ = do_aki_.size(); 
+        solver.aki_ = aki_.data(); 
+        solver.aki_size_ = aki_.size(); 
+        solver.uii_ = uii_.data(); 
+        solver.uii_size_ = uii_.size(); 
+        
+        solver.niLU_ = niLU_.data(); 
+        solver.niLU_size_ = niLU_.size(); 
+        solver.uik_nkj_ = uik_nkj_.data(); 
+        solver.uik_nkj_size_ = uik_nkj_.size(); 
+        solver.lij_ujk_ = lij_ujk_.data(); 
+        solver.lij_ujk_size_ = lij_ujk_.size(); 
+        solver.lki_nkj_ = lki_nkj_.data(); 
+        solver.lki_nkj_size_ = lki_nkj_.size(); 
+        solver.lkj_uji_ =  lkj_uji_.data(); 
+        solver.lkj_uji_size_ = lkj_uji_.size(); 
+
+        //calling kernelSetup function
+        return micm::cuda::DecomposeKernelDriver(sparseMatrix, solver); 
+    }
+}//end micm
+#endif
\ No newline at end of file
diff --git a/include/micm/solver/lu_decomposition.hpp b/include/micm/solver/lu_decomposition.hpp
index dea4cbfde..b075abe54 100644
--- a/include/micm/solver/lu_decomposition.hpp
+++ b/include/micm/solver/lu_decomposition.hpp
@@ -2,7 +2,6 @@
 // SPDX-License-Identifier: Apache-2.0
 
 #pragma once
-
 #include <micm/util/sparse_matrix.hpp>
 
 namespace micm
@@ -39,8 +38,9 @@ namespace micm
     /// for each iteration of the outer (i) loop
     std::vector<std::pair<std::size_t, std::size_t>> niLU_;
     /// True when A[i][k] is non-zero for each iteration of the middle (k) loop for the upper
-    /// triangular matrix; False otherwise
-    std::vector<bool> do_aik_;
+    /// triangular matrix; False otherwise. Used data type char instead of bool because vector<bool> representation
+    ///does not suppor easy retrieval of memory address using data() function.
+    std::vector<char> do_aik_;
     /// Index in A.data_ for A[i][k] for each iteration of the middle (k) loop for the upper
     /// triangular matrix when A[i][k] is non-zero
     std::vector<std::size_t> aik_;
@@ -52,10 +52,11 @@ namespace micm
     /// when L[i][j] and U[j][k] are both non-zero.
     std::vector<std::pair<std::size_t, std::size_t>> lij_ujk_;
     /// True when A[k][i] is non-zero for each iteration of the middle (k) loop for the lower
-    /// triangular matrix; False otherwise
-    std::vector<bool> do_aki_;
+    /// triangular matrix; False otherwise. Used data type char instead of bool because vector<bool> representation
+    ///does not suppor easy retrieval of memory address using data() function.
+    std::vector<char> do_aki_;
     /// Index in A.data_ for A[k][i] for each iteration of the middle (k) loop for the lower
-    /// triangular matrix when A[k][i] is non-zero
+    /// triangular matrix when A[k][i] is non-zero. 
     std::vector<std::size_t> aki_;
     /// Index in L.data_ for L[k][i] for each iteration of the middle (k) loop for the lower
     /// triangular matrix when L[k][i] is non-zero, and the corresponding number of elements
diff --git a/include/micm/util/cuda_param.hpp b/include/micm/util/cuda_param.hpp
index a59128f4e..8db6aa01d 100644
--- a/include/micm/util/cuda_param.hpp
+++ b/include/micm/util/cuda_param.hpp
@@ -1,33 +1,63 @@
+#include<vector>
+
 #ifndef CUDA_PARAM_HPP
 #define CUDA_PARAM_HPP
-// member data of class CUDAProcessSet grouped in struct passing to kernel driver function
-struct CUDAProcessSetParam
-{
-  const size_t* number_of_reactants;
-  const size_t* reactant_ids;
-  size_t reactant_ids_size;
-  const size_t* number_of_products;
-  const size_t* product_ids;
-  size_t product_ids_size;
-  const double* yields;
-  size_t yields_size;
-  const size_t* jacobian_flat_ids;
-  size_t jacobian_flat_ids_size;
-};
-// different matrix data grouped in struct passing to kernel driver function
-struct CUDAMatrixParam
-{
-  const double* rate_constants;
-  const double* state_variables;
-  double* forcing;
-  size_t n_grids;
-  size_t n_reactions;
-  size_t n_species;
-};
-// sparseMatrix data grouped in struct passing to kernel driver function
-struct CUDASparseMatrixParam
-{
-  double* jacobian;
-  size_t jacobian_size;
+  //member data of class CudaProcessSet grouped in struct passing to kernel driver function 
+  const size_t BLOCK_SIZE = 320;
+  struct CudaProcessSetParam{
+    const size_t* number_of_reactants_; 
+    const size_t* reactant_ids_; 
+    size_t reactant_ids_size_; 
+    const size_t* number_of_products_; 
+    const size_t* product_ids_; 
+    size_t product_ids_size_; 
+    const double* yields_; 
+    size_t yields_size_; 
+    const size_t* jacobian_flat_ids_; 
+    size_t jacobian_flat_ids_size_; 
+}; 
+
+  struct CudaSolverParam{
+    const std::pair<size_t, size_t>* niLU_; 
+    size_t niLU_size_;
+    const char* do_aik_;
+    size_t do_aik_size_; 
+    const size_t* aik_;
+    size_t aik_size_;  
+    const std::pair<size_t, size_t>* uik_nkj_; 
+    size_t uik_nkj_size_; 
+    const std::pair<size_t, size_t>* lij_ujk_; 
+    size_t lij_ujk_size_; 
+    const char* do_aki_;
+    size_t do_aki_size_; 
+    const size_t* aki_; 
+    size_t aki_size_;
+    const std::pair<size_t, size_t>* lki_nkj_;
+    size_t lki_nkj_size_; 
+    const std::pair<size_t, size_t>* lkj_uji_;  
+    size_t lkj_uji_size_;  
+    const size_t* uii_; 
+    size_t uii_size_; 
+  };
+ //different matrix data grouped in struct passing to kernel driver function 
+    struct CudaMatrixParam{
+     const double* rate_constants_; 
+     const double* state_variables_; 
+     double* forcing_; 
+     size_t n_grids_; 
+     size_t n_reactions_; 
+     size_t n_species_; 
+}; 
+//sparseMatrix data grouped in struct passing to kernel driver function 
+struct CudaSparseMatrixParam{
+   double* jacobian_; 
+   size_t jacobian_size_; 
+   const double* A_; 
+   size_t A_size_; 
+   double* L_; 
+   size_t L_size_; 
+   double* U_;
+   size_t U_size_; 
+   size_t n_grids_;
 };
 #endif
\ No newline at end of file
diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt
index 3bff67130..1766b5172 100644
--- a/src/CMakeLists.txt
+++ b/src/CMakeLists.txt
@@ -86,4 +86,5 @@ if(ENABLE_CUDA)
   )
 endif()
 
-add_subdirectory(process)
\ No newline at end of file
+add_subdirectory(process)
+add_subdirectory(solver)
\ No newline at end of file
diff --git a/src/process/process_set.cu b/src/process/process_set.cu
index 386005ffe..b515a6d02 100644
--- a/src/process/process_set.cu
+++ b/src/process/process_set.cu
@@ -7,46 +7,45 @@
 #include <micm/util/cuda_param.hpp>
 
 // device pointers passing to AddForcingTermsKernel()
-typedef struct forcingDevice
+typedef struct ForcingDevice
 {
-  double* rate_constants;
-  double* state_variables;
-  double* forcing;
-  size_t* number_of_reactants;
-  size_t* reactant_ids;
-  size_t* number_of_products;
-  size_t* product_ids;
-  double* yields;
+  double* rate_constants_;
+  double* state_variables_;
+  double* forcing_;
+  size_t* number_of_reactants_;
+  size_t* reactant_ids_;
+  size_t* number_of_products_;
+  size_t* product_ids_;
+  double* yields_;
 };
 // device pointers passing to AddJacobianTermsKernel()
-typedef struct jacobianDevice
+typedef struct JacobianDevice
 {
-  double* rate_constants;
-  double* state_variables;
-  double* jacobian;
-  size_t* number_of_reactants;
-  size_t* reactant_ids;
-  size_t* number_of_products;
-  double* yields;
-  size_t* jacobian_flat_ids;
+  double* rate_constants_;
+  double* state_variables_;
+  double* jacobian_;
+  size_t* number_of_reactants_;
+  size_t* reactant_ids_;
+  size_t* number_of_products_;
+  double* yields_;
+  size_t* jacobian_flat_ids_;
 };
-const size_t BLOCK_SIZE = 320;
 
 namespace micm
 {
   namespace cuda
   {
     // flipped memory layout
-    __global__ void AddForcingTermsKernel(forcingDevice* device, size_t n_grids, size_t n_reactions, size_t n_species)
+    __global__ void AddForcingTermsKernel(ForcingDevice* device, size_t n_grids, size_t n_reactions, size_t n_species)
 
     {
       // define thread index
       size_t tid = blockIdx.x * blockDim.x + threadIdx.x;
       size_t react_id_offset, prod_id_offset, yield_offset;
-      double* forcing = device->forcing;
-      size_t* number_of_reactants = device->number_of_reactants;
-      size_t* reactant_ids = device->reactant_ids;
-      size_t* number_of_products = device->number_of_products;
+      double* forcing = device->forcing_;
+      size_t* number_of_reactants = device->number_of_reactants_;
+      size_t* reactant_ids = device->reactant_ids_;
+      size_t* number_of_products = device->number_of_products_;
       if (tid < n_grids)
       {
         react_id_offset = 0;
@@ -54,35 +53,35 @@ namespace micm
         yield_offset = 0;
         for (std::size_t i_rxn = 0; i_rxn < n_reactions; ++i_rxn)
         {
-          double rate = device->rate_constants[i_rxn * n_grids + tid];
+          double rate = device->rate_constants_[i_rxn * n_grids + tid];
           for (std::size_t i_react = 0; i_react < number_of_reactants[i_rxn]; ++i_react)
-            rate *= device->state_variables[reactant_ids[react_id_offset + i_react] * n_grids + tid];
+            rate *= device->state_variables_[reactant_ids[react_id_offset + i_react] * n_grids + tid];
           for (std::size_t i_react = 0; i_react < number_of_reactants[i_rxn]; ++i_react)
           {
             forcing[reactant_ids[react_id_offset + i_react] * n_grids + tid] -= rate;
           }
           for (std::size_t i_prod = 0; i_prod < number_of_products[i_rxn]; ++i_prod)
           {
-            size_t index = device->product_ids[prod_id_offset + i_prod] * n_grids + tid;
-            forcing[index] += device->yields[yield_offset + i_prod] * rate;
+            size_t index = device->product_ids_[prod_id_offset + i_prod] * n_grids + tid;
+            forcing[index] += device->yields_[yield_offset + i_prod] * rate;
           }
           react_id_offset += number_of_reactants[i_rxn];
           prod_id_offset += number_of_products[i_rxn];
           yield_offset += number_of_products[i_rxn];
         }  // for loop over number of reactions
-      }    // if check for valid CUDA threads
+      }    // if check for valid Cuda threads
     }      // end of AddForcingTerms_kernel
 
-    __global__ void AddJacobianTermsKernel(jacobianDevice* device, size_t n_grids, size_t n_reactions)
+    __global__ void AddJacobianTermsKernel(JacobianDevice* device, size_t n_grids, size_t n_reactions)
     {
       size_t tid = blockIdx.x * blockDim.x + threadIdx.x;
       size_t react_ids_offset = 0;
       size_t yields_offset = 0;
       size_t flat_id_offset = 0;
-      size_t* number_of_reactants = device->number_of_reactants;
-      size_t* jacobian_flat_ids = device->jacobian_flat_ids;
-      size_t* number_of_products = device->number_of_products;
-      double* jacobian = device->jacobian;
+      size_t* number_of_reactants = device->number_of_reactants_;
+      size_t* jacobian_flat_ids = device->jacobian_flat_ids_;
+      size_t* number_of_products = device->number_of_products_;
+      double* jacobian = device->jacobian_;
 
       if (tid < n_grids)
       {
@@ -92,12 +91,12 @@ namespace micm
           // loop over reactants in a reaction
           for (size_t i_ind = 0; i_ind < number_of_reactants[i_rxn]; ++i_ind)
           {
-            double d_rate_d_ind = device->rate_constants[i_rxn * n_grids + tid];
+            double d_rate_d_ind = device->rate_constants_[i_rxn * n_grids + tid];
             for (size_t i_react = 0; i_react < number_of_reactants[i_rxn]; ++i_react)
             {
               if (i_react != i_ind)
               {
-                d_rate_d_ind *= device->state_variables[device->reactant_ids[react_ids_offset + i_react] * n_grids + tid];
+                d_rate_d_ind *= device->state_variables_[device->reactant_ids_[react_ids_offset + i_react] * n_grids + tid];
               }
             }
             for (size_t i_dep = 0; i_dep < number_of_reactants[i_rxn]; ++i_dep)
@@ -109,7 +108,7 @@ namespace micm
             for (size_t i_dep = 0; i_dep < number_of_products[i_rxn]; ++i_dep)
             {
               size_t jacobian_idx = jacobian_flat_ids[flat_id_offset] + tid;
-              jacobian[jacobian_idx] += device->yields[yields_offset + i_dep] * d_rate_d_ind;
+              jacobian[jacobian_idx] += device->yields_[yields_offset + i_dep] * d_rate_d_ind;
               flat_id_offset++;
             }
           }  // loop over reactants in a reaction
@@ -120,9 +119,9 @@ namespace micm
     }      // end of AddJacobianTerms_kernel
 
     std::chrono::nanoseconds AddJacobianTermsKernelDriver(
-        CUDAMatrixParam& matrixParam,
-        CUDASparseMatrixParam& sparseMatrix,
-        CUDAProcessSetParam& processSet)
+        CudaMatrixParam& matrixParam,
+        CudaSparseMatrixParam& sparseMatrix,
+        CudaProcessSetParam& processSet)
     {
       // create device pointers
       double* d_rate_constants;
@@ -133,63 +132,63 @@ namespace micm
       size_t* d_number_of_products;
       double* d_yields;
       size_t* d_jacobian_flat_ids;
-      jacobianDevice* device;
+      JacobianDevice* device;
 
       // allocate device memory
-      cudaMalloc(&d_rate_constants, sizeof(double) * matrixParam.n_grids * matrixParam.n_reactions);
-      cudaMalloc(&d_state_variables, sizeof(double) * matrixParam.n_grids * matrixParam.n_species);
-      cudaMalloc(&d_jacobian, sizeof(double) * sparseMatrix.jacobian_size);
-      cudaMalloc(&d_number_of_reactants, sizeof(size_t) * matrixParam.n_reactions);
-      cudaMalloc(&d_reactant_ids, sizeof(size_t) * processSet.reactant_ids_size);
-      cudaMalloc(&d_number_of_products, sizeof(size_t) * matrixParam.n_reactions);
-      cudaMalloc(&d_yields, sizeof(double) * processSet.yields_size);
-      cudaMalloc(&d_jacobian_flat_ids, sizeof(size_t) * processSet.jacobian_flat_ids_size);
-      cudaMalloc(&device, sizeof(jacobianDevice));
+      cudaMalloc(&d_rate_constants, sizeof(double) * matrixParam.n_grids_ * matrixParam.n_reactions_);
+      cudaMalloc(&d_state_variables, sizeof(double) * matrixParam.n_grids_ * matrixParam.n_species_);
+      cudaMalloc(&d_jacobian, sizeof(double) * sparseMatrix.jacobian_size_);
+      cudaMalloc(&d_number_of_reactants, sizeof(size_t) * matrixParam.n_reactions_);
+      cudaMalloc(&d_reactant_ids, sizeof(size_t) * processSet.reactant_ids_size_);
+      cudaMalloc(&d_number_of_products, sizeof(size_t) * matrixParam.n_reactions_);
+      cudaMalloc(&d_yields, sizeof(double) * processSet.yields_size_);
+      cudaMalloc(&d_jacobian_flat_ids, sizeof(size_t) * processSet.jacobian_flat_ids_size_);
+      cudaMalloc(&device, sizeof(JacobianDevice));
 
       // transfer data from host to device
       cudaMemcpy(
           d_rate_constants,
-          matrixParam.rate_constants,
-          sizeof(double) * matrixParam.n_grids * matrixParam.n_reactions,
+          matrixParam.rate_constants_,
+          sizeof(double) * matrixParam.n_grids_ * matrixParam.n_reactions_,
           cudaMemcpyHostToDevice);
       cudaMemcpy(
           d_state_variables,
-          matrixParam.state_variables,
-          sizeof(double) * matrixParam.n_grids * matrixParam.n_species,
+          matrixParam.state_variables_,
+          sizeof(double) * matrixParam.n_grids_ * matrixParam.n_species_,
           cudaMemcpyHostToDevice);
-      cudaMemcpy(d_jacobian, sparseMatrix.jacobian, sizeof(double) * sparseMatrix.jacobian_size, cudaMemcpyHostToDevice);
+      cudaMemcpy(d_jacobian, sparseMatrix.jacobian_, sizeof(double) * sparseMatrix.jacobian_size_, cudaMemcpyHostToDevice);
       cudaMemcpy(
           d_number_of_reactants,
-          processSet.number_of_reactants,
-          sizeof(size_t) * matrixParam.n_reactions,
+          processSet.number_of_reactants_,
+          sizeof(size_t) * matrixParam.n_reactions_,
           cudaMemcpyHostToDevice);
       cudaMemcpy(
-          d_reactant_ids, processSet.reactant_ids, sizeof(size_t) * processSet.reactant_ids_size, cudaMemcpyHostToDevice);
+          d_reactant_ids, processSet.reactant_ids_, sizeof(size_t) * processSet.reactant_ids_size_, cudaMemcpyHostToDevice);
       cudaMemcpy(
           d_number_of_products,
-          processSet.number_of_products,
-          sizeof(size_t) * matrixParam.n_reactions,
+          processSet.number_of_products_,
+          sizeof(size_t) * matrixParam.n_reactions_,
           cudaMemcpyHostToDevice);
-      cudaMemcpy(d_yields, processSet.yields, sizeof(double) * processSet.yields_size, cudaMemcpyHostToDevice);
+      cudaMemcpy(d_yields, processSet.yields_, sizeof(double) * processSet.yields_size_, cudaMemcpyHostToDevice);
       cudaMemcpy(
           d_jacobian_flat_ids,
-          processSet.jacobian_flat_ids,
-          sizeof(size_t) * processSet.jacobian_flat_ids_size,
+          processSet.jacobian_flat_ids_,
+          sizeof(size_t) * processSet.jacobian_flat_ids_size_,
           cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->rate_constants), &d_rate_constants, sizeof(double*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->state_variables), &d_state_variables, sizeof(double*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->jacobian), &d_jacobian, sizeof(double*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->number_of_reactants), &d_number_of_reactants, sizeof(size_t*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->reactant_ids), &d_reactant_ids, sizeof(size_t*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->number_of_products), &d_number_of_products, sizeof(size_t*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->yields), &d_yields, sizeof(double*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->jacobian_flat_ids), &d_jacobian_flat_ids, sizeof(size_t*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->rate_constants_), &d_rate_constants, sizeof(double*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->state_variables_), &d_state_variables, sizeof(double*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->jacobian_), &d_jacobian, sizeof(double*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->number_of_reactants_), &d_number_of_reactants, sizeof(size_t*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->reactant_ids_), &d_reactant_ids, sizeof(size_t*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->number_of_products_), &d_number_of_products, sizeof(size_t*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->yields_), &d_yields, sizeof(double*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->jacobian_flat_ids_), &d_jacobian_flat_ids, sizeof(size_t*), cudaMemcpyHostToDevice);
 
       // setup kernel
-      size_t total_blocks = (matrixParam.n_grids + BLOCK_SIZE - 1) / BLOCK_SIZE;
+      size_t total_blocks = (matrixParam.n_grids_ + BLOCK_SIZE - 1) / BLOCK_SIZE;
 
-      size_t n_reactions = matrixParam.n_reactions;
-      size_t n_grids = matrixParam.n_grids;
+      size_t n_reactions = matrixParam.n_reactions_;
+      size_t n_grids = matrixParam.n_grids_;
       // launch kernel and measure time performance
       auto startTime = std::chrono::high_resolution_clock::now();
       AddJacobianTermsKernel<<<total_blocks, BLOCK_SIZE>>>(device, n_grids, n_reactions);
@@ -197,7 +196,7 @@ namespace micm
       auto endTime = std::chrono::high_resolution_clock::now();
       auto kernel_duration = std::chrono::duration_cast<std::chrono::nanoseconds>(endTime - startTime);
 
-      cudaMemcpy(sparseMatrix.jacobian, d_jacobian, sizeof(double) * sparseMatrix.jacobian_size, cudaMemcpyDeviceToHost);
+      cudaMemcpy(sparseMatrix.jacobian_, d_jacobian, sizeof(double) * sparseMatrix.jacobian_size_, cudaMemcpyDeviceToHost);
       // clean up
       cudaFree(d_rate_constants);
       cudaFree(d_state_variables);
@@ -211,7 +210,7 @@ namespace micm
       return kernel_duration;
     }  // end of AddJacobian_kernelSetup
 
-    std::chrono::nanoseconds AddForcingTermsKernelDriver(CUDAMatrixParam& matrixParam, CUDAProcessSetParam& processSet)
+    std::chrono::nanoseconds AddForcingTermsKernelDriver(CudaMatrixParam& matrixParam, CudaProcessSetParam& processSet)
     {
       // device pointer to vectorss
       double* d_rate_constants;
@@ -222,66 +221,66 @@ namespace micm
       size_t* d_reactant_ids;
       size_t* d_number_of_products;
       size_t* d_product_ids;
-      forcingDevice* device;
+      ForcingDevice* device;
 
       // allocate device memory
-      cudaMalloc(&d_rate_constants, sizeof(double) * (matrixParam.n_grids * matrixParam.n_reactions));
-      cudaMalloc(&d_state_variables, sizeof(double) * (matrixParam.n_grids * matrixParam.n_species));
-      cudaMalloc(&d_forcing, sizeof(double) * (matrixParam.n_grids * matrixParam.n_species));
-      cudaMalloc(&d_number_of_reactants, sizeof(size_t) * matrixParam.n_reactions);
-      cudaMalloc(&d_reactant_ids, sizeof(size_t) * processSet.reactant_ids_size);
-      cudaMalloc(&d_number_of_products, sizeof(size_t) * matrixParam.n_reactions);
-      cudaMalloc(&d_product_ids, sizeof(size_t) * processSet.product_ids_size);
-      cudaMalloc(&d_yields, sizeof(double) * processSet.yields_size);
-      cudaMalloc(&device, sizeof(forcingDevice));
+      cudaMalloc(&d_rate_constants, sizeof(double) * (matrixParam.n_grids_ * matrixParam.n_reactions_));
+      cudaMalloc(&d_state_variables, sizeof(double) * (matrixParam.n_grids_ * matrixParam.n_species_));
+      cudaMalloc(&d_forcing, sizeof(double) * (matrixParam.n_grids_ * matrixParam.n_species_));
+      cudaMalloc(&d_number_of_reactants, sizeof(size_t) * matrixParam.n_reactions_);
+      cudaMalloc(&d_reactant_ids, sizeof(size_t) * processSet.reactant_ids_size_);
+      cudaMalloc(&d_number_of_products, sizeof(size_t) * matrixParam.n_reactions_);
+      cudaMalloc(&d_product_ids, sizeof(size_t) * processSet.product_ids_size_);
+      cudaMalloc(&d_yields, sizeof(double) * processSet.yields_size_);
+      cudaMalloc(&device, sizeof(ForcingDevice));
 
       // copy data from host memory to device memory
       cudaMemcpy(
           d_rate_constants,
-          matrixParam.rate_constants,
-          sizeof(double) * (matrixParam.n_grids * matrixParam.n_reactions),
+          matrixParam.rate_constants_,
+          sizeof(double) * (matrixParam.n_grids_ * matrixParam.n_reactions_),
           cudaMemcpyHostToDevice);
       cudaMemcpy(
           d_state_variables,
-          matrixParam.state_variables,
-          sizeof(double) * (matrixParam.n_grids * matrixParam.n_species),
+          matrixParam.state_variables_,
+          sizeof(double) * (matrixParam.n_grids_ * matrixParam.n_species_),
           cudaMemcpyHostToDevice);
       cudaMemcpy(
           d_forcing,
-          matrixParam.forcing,
-          sizeof(double) * (matrixParam.n_grids * matrixParam.n_species),
+          matrixParam.forcing_,
+          sizeof(double) * (matrixParam.n_grids_ * matrixParam.n_species_),
           cudaMemcpyHostToDevice);
       cudaMemcpy(
           d_number_of_reactants,
-          processSet.number_of_reactants,
-          sizeof(size_t) * matrixParam.n_reactions,
+          processSet.number_of_reactants_,
+          sizeof(size_t) * matrixParam.n_reactions_,
           cudaMemcpyHostToDevice);
       cudaMemcpy(
-          d_reactant_ids, processSet.reactant_ids, sizeof(size_t) * processSet.reactant_ids_size, cudaMemcpyHostToDevice);
+          d_reactant_ids, processSet.reactant_ids_, sizeof(size_t) * processSet.reactant_ids_size_, cudaMemcpyHostToDevice);
       cudaMemcpy(
           d_number_of_products,
-          processSet.number_of_products,
-          sizeof(size_t) * matrixParam.n_reactions,
+          processSet.number_of_products_,
+          sizeof(size_t) * matrixParam.n_reactions_,
           cudaMemcpyHostToDevice);
       cudaMemcpy(
-          d_product_ids, processSet.product_ids, sizeof(size_t) * processSet.product_ids_size, cudaMemcpyHostToDevice);
-      cudaMemcpy(d_yields, processSet.yields, sizeof(double) * processSet.yields_size, cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->rate_constants), &d_rate_constants, sizeof(double*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->state_variables), &d_state_variables, sizeof(double*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->forcing), &d_forcing, sizeof(double*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->number_of_reactants), &d_number_of_reactants, sizeof(size_t*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->reactant_ids), &d_reactant_ids, sizeof(size_t*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->number_of_products), &d_number_of_products, sizeof(size_t*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->product_ids), &d_product_ids, sizeof(size_t*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->yields), &d_yields, sizeof(double*), cudaMemcpyHostToDevice);
+          d_product_ids, processSet.product_ids_, sizeof(size_t) * processSet.product_ids_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(d_yields, processSet.yields_, sizeof(double) * processSet.yields_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->rate_constants_), &d_rate_constants, sizeof(double*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->state_variables_), &d_state_variables, sizeof(double*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->forcing_), &d_forcing, sizeof(double*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->number_of_reactants_), &d_number_of_reactants, sizeof(size_t*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->reactant_ids_), &d_reactant_ids, sizeof(size_t*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->number_of_products_), &d_number_of_products, sizeof(size_t*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->product_ids_), &d_product_ids, sizeof(size_t*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->yields_), &d_yields, sizeof(double*), cudaMemcpyHostToDevice);
 
       // total thread count == number of grid cells
 
-      int num_block = (matrixParam.n_grids + BLOCK_SIZE - 1) / BLOCK_SIZE;
+      int num_block = (matrixParam.n_grids_ + BLOCK_SIZE - 1) / BLOCK_SIZE;
 
-      size_t n_grids = matrixParam.n_grids;
-      size_t n_reactions = matrixParam.n_reactions;
-      size_t n_species = matrixParam.n_species;
+      size_t n_grids = matrixParam.n_grids_;
+      size_t n_reactions = matrixParam.n_reactions_;
+      size_t n_species = matrixParam.n_species_;
 
       // launch kernel and measure time performance
       auto startTime = std::chrono::high_resolution_clock::now();
@@ -291,7 +290,7 @@ namespace micm
       auto kernel_duration = std::chrono::duration_cast<std::chrono::nanoseconds>(endTime - startTime);
 
       // copy data from device memory to host memory
-      cudaMemcpy(matrixParam.forcing, d_forcing, sizeof(double) * (n_grids * n_species), cudaMemcpyDeviceToHost);
+      cudaMemcpy(matrixParam.forcing_, d_forcing, sizeof(double) * (n_grids * n_species), cudaMemcpyDeviceToHost);
 
       // clean up
       cudaFree(d_rate_constants);
@@ -306,4 +305,4 @@ namespace micm
       return kernel_duration;
     }  // end of AddForcingTerms_kernelSetup
   }    // namespace cuda
-}  // namespace micm
+}  // namespace micm
\ No newline at end of file
diff --git a/src/solver/CMakeLists.txt b/src/solver/CMakeLists.txt
new file mode 100644
index 000000000..caf73c9da
--- /dev/null
+++ b/src/solver/CMakeLists.txt
@@ -0,0 +1,6 @@
+if(ENABLE_CUDA)
+  target_sources(micm_cuda
+     PRIVATE
+     lu_decomposition.cu
+  )
+endif()
\ No newline at end of file
diff --git a/src/solver/lu_decomposition.cu b/src/solver/lu_decomposition.cu
new file mode 100644
index 000000000..4d9a4b43b
--- /dev/null
+++ b/src/solver/lu_decomposition.cu
@@ -0,0 +1,184 @@
+// Copyright (C) 2023 National Center for Atmospheric Research,
+//
+// SPDX-License-Identifier: Apache-2.0
+#include <iostream> 
+#include <vector>
+#include <chrono>
+#include <micm/util/cuda_param.hpp> 
+
+//grouped parameters passing to DecomposeKernel()
+struct DecomposeDevice{
+    double* A_; 
+    double* L_; 
+    double* U_; 
+    char* do_aik_; 
+    size_t* aik_; 
+    char* do_aki_;
+    size_t* aki_;  
+    size_t* uii_; 
+    std::pair<size_t,size_t>* niLU_;
+    std::pair<size_t, size_t>* uik_nkj_; 
+    std::pair<size_t, size_t>* lij_ujk_;
+    std::pair<size_t, size_t>* lki_nkj_; 
+    std::pair<size_t, size_t>* lkj_uji_;
+    size_t n_grids_;
+    size_t niLU_size_;
+}; 
+namespace micm{
+    namespace cuda{        
+        __global__ void DecomposeKernel(DecomposeDevice* device)
+        {
+            size_t tid = blockIdx.x * blockDim.x + threadIdx.x;
+            double* A = device->A_; 
+            double* L = device->L_;
+            double* U = device->U_;
+            std::pair<size_t, size_t>* lkj_uji = device->lkj_uji_;
+            std::pair<size_t, size_t>* uik_nkj = device->uik_nkj_;
+            std::pair<size_t, size_t>* lij_ujk = device->lij_ujk_;
+            std::pair<size_t, size_t>* lki_nkj = device->lki_nkj_;
+            size_t do_aik_offset = 0; //boolean vector 
+            size_t aik_offset = 0;
+            size_t uik_nkj_offset = 0; 
+            size_t lij_ujk_offset = 0; 
+            size_t do_aki_offset = 0; //boolean vector 
+            size_t aki_offset = 0; 
+            size_t lki_nkj_offset = 0; 
+            size_t lkj_uji_offset = 0; 
+            size_t uii_offset = 0; 
+            
+            if (tid < device->n_grids_){
+                //loop through every element in niLU 
+                for (size_t i = 0; i < device->niLU_size_; i++){
+                    //upper triangular matrix 
+                    auto inLU = device->niLU_[i]; 
+                    for (size_t iU = 0; iU < inLU.second; ++iU){
+                        if(device->do_aik_[do_aik_offset++]){
+                            size_t U_idx = uik_nkj[uik_nkj_offset].first + tid;
+                            size_t A_idx =  device->aik_[aik_offset++]+ tid; 
+                            U[U_idx] = A[A_idx];
+                        }
+                        
+                        for (size_t ikj = 0; ikj < uik_nkj[uik_nkj_offset].second; ++ikj){
+                            size_t U_idx_1 = uik_nkj[uik_nkj_offset].first + tid; 
+                            size_t L_idx = lij_ujk[lij_ujk_offset].first + tid;
+                            size_t U_idx_2 = lij_ujk[lij_ujk_offset].second + tid;
+                            U[U_idx_1] -= L[L_idx] * U[U_idx_2]; 
+                            ++lij_ujk_offset; 
+                        }
+                        ++uik_nkj_offset; 
+                    }
+                   // lower triangular matrix
+                   
+                    L[lki_nkj[lki_nkj_offset++].first + tid] = 1.0;         
+                    
+                    for (size_t iL = 0; iL <inLU.first; ++iL){
+                        if(device->do_aki_[do_aki_offset++]){
+                            size_t L_idx = lki_nkj[lki_nkj_offset].first + tid; 
+                            size_t A_idx = device->aki_[aki_offset++] + tid; 
+                            L[L_idx] = A[A_idx]; 
+                        }
+                        for(size_t ikj = 0; ikj < lki_nkj[lki_nkj_offset].second;++ikj){
+                            size_t L_idx_1 = lki_nkj[lki_nkj_offset].first + tid;
+                            size_t L_idx_2 = lkj_uji[lkj_uji_offset].first + tid;
+                            size_t U_idx = lkj_uji[lkj_uji_offset].second + tid; 
+                            L[L_idx_1] -= L[L_idx_2] * U[U_idx];
+                            ++lkj_uji_offset; 
+                        }
+                        L[lki_nkj[lki_nkj_offset].first + tid]/=U[device->uii_[uii_offset] + tid]; 
+                        ++lki_nkj_offset; 
+                        ++uii_offset; 
+                     }
+                }
+            }
+        }// end of kernel
+    
+        std::chrono::nanoseconds DecomposeKernelDriver(
+            CudaSparseMatrixParam& sparseMatrix, 
+            CudaSolverParam& solver){
+            //create device pointers and allocate device memory 
+            double* d_A; 
+            double* d_L; 
+            double* d_U; 
+            bool* d_do_aik; 
+            size_t* d_aik; 
+            bool* d_do_aki;
+            size_t* d_aki;  
+            size_t* d_uii; 
+            std::pair<size_t, size_t>* d_niLU; 
+            std::pair<size_t, size_t>* d_uik_nkj; 
+            std::pair<size_t, size_t>* d_lij_ujk;
+            std::pair<size_t, size_t>* d_lki_nkj; 
+            std::pair<size_t, size_t>* d_lkj_uji;
+            DecomposeDevice* device; 
+        
+            cudaMalloc(&d_A,sizeof(double)* sparseMatrix.A_size_); 
+            cudaMalloc(&d_L,sizeof(double)* sparseMatrix.L_size_); 
+            cudaMalloc(&d_U,sizeof(double)* sparseMatrix.U_size_); 
+            cudaMalloc(&d_do_aik,sizeof(char)* solver.do_aik_size_); 
+            cudaMalloc(&d_aik,sizeof(size_t)* solver.aik_size_); 
+            cudaMalloc(&d_do_aki,sizeof(char)* solver.do_aki_size_); 
+            cudaMalloc(&d_aki,sizeof(size_t)* solver.aki_size_); 
+            cudaMalloc(&d_uii,sizeof(size_t)* solver.uii_size_); 
+            cudaMalloc(&d_niLU,sizeof(std::pair<size_t, size_t>)* solver.niLU_size_); 
+            cudaMalloc(&d_uik_nkj,sizeof(std::pair<size_t, size_t>)* solver.uik_nkj_size_); 
+            cudaMalloc(&d_lij_ujk,sizeof(std::pair<size_t, size_t>)* solver.lij_ujk_size_); 
+            cudaMalloc(&d_lki_nkj,sizeof(std::pair<size_t, size_t>)* solver.lki_nkj_size_); 
+            cudaMalloc(&d_lkj_uji,sizeof(std::pair<size_t, size_t>)* solver.lkj_uji_size_);
+            cudaMalloc(&device, sizeof(DecomposeDevice)); 
+
+            //transfer data from host to device 
+            cudaMemcpy(d_A, sparseMatrix.A_, sizeof(double)* sparseMatrix.A_size_, cudaMemcpyHostToDevice); 
+            cudaMemcpy(d_L, sparseMatrix.L_, sizeof(double)* sparseMatrix.L_size_, cudaMemcpyHostToDevice); 
+            cudaMemcpy(d_U, sparseMatrix.U_, sizeof(double)* sparseMatrix.U_size_, cudaMemcpyHostToDevice); 
+            cudaMemcpy(d_do_aik, solver.do_aik_, sizeof(char)* solver.do_aik_size_, cudaMemcpyHostToDevice); 
+            cudaMemcpy(d_aik, solver.aik_, sizeof(size_t)* solver.aik_size_, cudaMemcpyHostToDevice); 
+            cudaMemcpy(d_do_aki, solver.do_aki_, sizeof(char)* solver.do_aki_size_, cudaMemcpyHostToDevice); 
+            cudaMemcpy(d_aki, solver.aki_, sizeof(size_t)*solver.aki_size_, cudaMemcpyHostToDevice); 
+            cudaMemcpy(d_uii, solver.uii_, sizeof(size_t)* solver.uii_size_, cudaMemcpyHostToDevice);       
+            cudaMemcpy(d_niLU, solver.niLU_, sizeof(std::pair<size_t, size_t>)*solver.niLU_size_, cudaMemcpyHostToDevice); 
+            cudaMemcpy(d_uik_nkj, solver.uik_nkj_, sizeof(std::pair<size_t, size_t>)*solver.uik_nkj_size_, cudaMemcpyHostToDevice);
+            cudaMemcpy(d_lij_ujk, solver.lij_ujk_, sizeof(std::pair<size_t, size_t>)*solver.lij_ujk_size_, cudaMemcpyHostToDevice);
+            cudaMemcpy(d_lki_nkj, solver.lki_nkj_, sizeof(std::pair<size_t, size_t>)*solver.lki_nkj_size_, cudaMemcpyHostToDevice);
+            cudaMemcpy(d_lkj_uji, solver.lkj_uji_, sizeof(std::pair<size_t, size_t>)*solver.lkj_uji_size_, cudaMemcpyHostToDevice);
+            cudaMemcpy(&(device->A_),&d_A, sizeof(double*), cudaMemcpyHostToDevice);
+            cudaMemcpy(&(device->L_),&d_L, sizeof(double*), cudaMemcpyHostToDevice); 
+            cudaMemcpy(&(device->U_),&d_U, sizeof(double*), cudaMemcpyHostToDevice); 
+            cudaMemcpy(&(device->do_aik_), &d_do_aik, sizeof(char*), cudaMemcpyHostToDevice); 
+            cudaMemcpy(&(device->aik_), &d_aik, sizeof(size_t*), cudaMemcpyHostToDevice); 
+            cudaMemcpy(&(device->do_aki_),&d_do_aki,sizeof(char*),cudaMemcpyHostToDevice); 
+            cudaMemcpy(&(device->aki_),&d_aki, sizeof(size_t*), cudaMemcpyHostToDevice); 
+            cudaMemcpy(&(device->uii_), &d_uii, sizeof(size_t*), cudaMemcpyHostToDevice);
+            cudaMemcpy(&(device->niLU_), &d_niLU, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
+            cudaMemcpy(&(device->uik_nkj_), &d_uik_nkj, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice); 
+            cudaMemcpy(&(device->lij_ujk_), &d_lij_ujk, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice); 
+            cudaMemcpy(&(device->lki_nkj_), &d_lki_nkj, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice); 
+            cudaMemcpy(&(device->lkj_uji_), &d_lkj_uji, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice); 
+            
+            //total number of threads is number of blocks in sparseMatrix A 
+            size_t num_block = (sparseMatrix.n_grids_ + BLOCK_SIZE - 1) / BLOCK_SIZE; 
+            device->n_grids_ = sparseMatrix.n_grids_;  
+            device->niLU_size_ = solver.niLU_size_; 
+
+           // call kernel
+            auto startTime = std::chrono::high_resolution_clock::now();
+            DecomposeKernel<<<num_block, BLOCK_SIZE>>>(device); 
+            cudaDeviceSynchronize();
+            auto endTime = std::chrono::high_resolution_clock::now();
+            auto kernel_duration = std::chrono::duration_cast<std::chrono::nanoseconds>(endTime - startTime);
+            cudaMemcpy(sparseMatrix.L_, d_L, sizeof(double)* sparseMatrix.L_size_, cudaMemcpyDeviceToHost); 
+            cudaMemcpy(sparseMatrix.U_, d_U, sizeof(double)* sparseMatrix.U_size_, cudaMemcpyDeviceToHost); 
+          
+        //clean up 
+        cudaFree(d_A); 
+        cudaFree(d_L); 
+        cudaFree(d_U); 
+        cudaFree(d_do_aik); 
+        cudaFree(d_aik);
+        cudaFree(d_do_aki); 
+        cudaFree(d_aki); 
+        cudaFree(d_uii); 
+        cudaFree(device); 
+        return kernel_duration; 
+    }//end kernelDriver
+ }//end cuda 
+}//end micm
\ No newline at end of file
diff --git a/test/unit/process/test_cuda_process_set.cpp b/test/unit/process/test_cuda_process_set.cpp
index 2fbdc9bd2..8448c7c06 100644
--- a/test/unit/process/test_cuda_process_set.cpp
+++ b/test/unit/process/test_cuda_process_set.cpp
@@ -1,5 +1,4 @@
 #include <gtest/gtest.h>
-
 #include <chrono>
 #include <functional>
 #include <iostream>
@@ -179,5 +178,5 @@ TEST(RandomCudaProcessSet, Forcing)
 }
 TEST(RandomCudaProcessSet, Jacobian)
 {
-  testRandomSystemAddJacobianTerms<Group10000VectorMatrix, Group10000SparseVectorMatrix>(10000, 500, 400);
+  testRandomSystemAddJacobianTerms<Group10000VectorMatrix, Group10000SparseVectorMatrix>(10000,500,400);
 }
diff --git a/test/unit/solver/CMakeLists.txt b/test/unit/solver/CMakeLists.txt
index 408214caf..c45f12645 100644
--- a/test/unit/solver/CMakeLists.txt
+++ b/test/unit/solver/CMakeLists.txt
@@ -12,6 +12,11 @@ create_standard_test(NAME lu_decomposition SOURCES test_lu_decomposition.cpp)
 create_standard_test(NAME rosenbrock SOURCES test_rosenbrock.cpp)
 create_standard_test(NAME state SOURCES test_state.cpp)
 
+# GPU tests
+if(ENABLE_CUDA)
+  create_standard_test(NAME cuda_lu_decomposition SOURCES test_cuda_lu_decomposition.cpp LIBRARIES musica::micm_cuda)
+endif()
+
 if(ENABLE_LLVM)
   create_standard_test(NAME jit_linear_solver SOURCES test_jit_linear_solver.cpp)
   create_standard_test(NAME jit_lu_decomposition SOURCES test_jit_lu_decomposition.cpp)
diff --git a/test/unit/solver/test_cuda_lu_decomposition.cpp b/test/unit/solver/test_cuda_lu_decomposition.cpp
new file mode 100644
index 000000000..fa1cf4ed7
--- /dev/null
+++ b/test/unit/solver/test_cuda_lu_decomposition.cpp
@@ -0,0 +1,121 @@
+#pragma once
+#include <gtest/gtest.h>
+#include <micm/util/cuda_param.hpp>
+#include <functional>
+#include <micm/solver/lu_decomposition.hpp>
+#include <micm/solver/cuda_lu_decomposition.hpp> 
+#include <micm/util/sparse_matrix.hpp>
+#include <micm/util/sparse_matrix_vector_ordering.hpp>
+#include <random>
+#include <vector>
+
+template<typename T, template<class> class SparseMatrixPolicy>
+void check_results(
+    const SparseMatrixPolicy<T>& A,
+    const SparseMatrixPolicy<T>& L,
+    const SparseMatrixPolicy<T>& U,
+    const std::function<void(const T, const T)> f)
+{
+  EXPECT_EQ(A.size(), L.size());
+  EXPECT_EQ(A.size(), U.size());
+  for (std::size_t i_block = 0; i_block < A.size(); ++i_block)
+  {
+    for (std::size_t i = 0; i < A[i_block].size(); ++i)
+    {
+      for (std::size_t j = 0; j < A[i_block].size(); ++j)
+      {
+        T result{};
+        for (std::size_t k = 0; k < A[i_block].size(); ++k)
+        {
+          if (!(L.IsZero(i, k) || U.IsZero(k, j)))
+          {
+            result += L[i_block][i][k] * U[i_block][k][j];
+          }
+        }
+        // Make sure these are actually triangular matrices
+        EXPECT_TRUE(i >= j || L.IsZero(i, j));
+        EXPECT_TRUE(j >= i || U.IsZero(i, j));
+        if (A.IsZero(i, j))
+        {
+          f(result, T{});
+        }
+        else
+        {
+          f(result, A[i_block][i][j]);
+        }
+      }
+    }
+  }
+}
+
+template<typename T, template<class> class SparseMatrixPolicy>
+void gpu_validation(
+    const SparseMatrixPolicy<T>& gpu_L,
+    const SparseMatrixPolicy<T>& cpu_L, 
+    const SparseMatrixPolicy<T>& gpu_U,
+    const SparseMatrixPolicy<T>& cpu_U)
+{
+      size_t L_size = cpu_L.AsVector().size(); 
+      size_t U_size = cpu_U.AsVector().size(); 
+      std::vector<T> gpu_L_vector = gpu_L.AsVector();
+      std::vector<T> cpu_L_vector = cpu_L.AsVector(); 
+      std::vector<T> gpu_U_vector = gpu_U.AsVector();
+      std::vector<T> cpu_U_vector = cpu_U.AsVector(); 
+      for (int i = 0; i < L_size; i++){
+        EXPECT_EQ(gpu_L_vector[i], cpu_L_vector[i]); 
+      };
+      for (int j = 0; j < U_size; j++){
+        EXPECT_EQ(gpu_U_vector[j], cpu_U_vector[j]); 
+      };
+}
+
+template<template<class> class SparseMatrixPolicy>
+void testRandomMatrix(size_t n_grids)
+{
+  auto gen_bool = std::bind(std::uniform_int_distribution<>(0, 1), std::default_random_engine());
+  auto get_double = std::bind(std::lognormal_distribution(-2.0, 2.0), std::default_random_engine());
+
+  auto builder = SparseMatrixPolicy<double>::create(10).number_of_blocks(n_grids).initial_value(1.0e-30);
+  for (std::size_t i = 0; i < 10; ++i)
+    for (std::size_t j = 0; j < 10; ++j)
+      if (i == j || gen_bool())
+        builder = builder.with_element(i, j);
+
+  SparseMatrixPolicy<double> A(builder);
+
+  for (std::size_t i = 0; i < 10; ++i)
+    for (std::size_t j = 0; j < 10; ++j)
+      if (!A.IsZero(i, j))
+        for (std::size_t i_block = 0; i_block < n_grids; ++i_block)
+          A[i_block][i][j] = get_double();
+
+  micm::LuDecomposition gpu_lud(A); 
+  auto gpu_LU = micm::CudaLuDecomposition::GetLUMatrices(A, 1.0e-30); 
+  gpu_lud.Decompose<double, SparseMatrixPolicy>(A, gpu_LU.first, gpu_LU.second); 
+  check_results<double, SparseMatrixPolicy>(
+      A, gpu_LU.first, gpu_LU.second, [&](const double a, const double b) -> void {EXPECT_NEAR(a, b, 1.0e-5); });
+
+  micm::LuDecomposition cpu_lud(A);
+  auto cpu_LU = micm::LuDecomposition::GetLUMatrices(A, 1.0e-30);
+  cpu_lud.Decompose<double, SparseMatrixPolicy>(A, cpu_LU.first, cpu_LU.second);
+  
+  //checking GPU result again CPU
+  gpu_validation<double, SparseMatrixPolicy>(gpu_LU.first, cpu_LU.first, gpu_LU.second, cpu_LU.second); 
+}  
+
+template<class T>
+using Group1SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<10>>;
+template<class T>
+using Group2SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<100>>;
+template<class T>
+using Group3SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<1000>>;
+template<class T>
+using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<100000>>;
+
+TEST(CudaLuDecomposition, RandomMatrixVectorOrdering)
+{
+  testRandomMatrix<Group1SparseVectorMatrix>(10);
+  testRandomMatrix<Group2SparseVectorMatrix>(100);
+  testRandomMatrix<Group3SparseVectorMatrix>(1000);
+  testRandomMatrix<Group4SparseVectorMatrix>(100000);
+}
\ No newline at end of file

From c9b0f611e7ed4e31b21dc00cabd0de6ea8fe6df4 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 4 Oct 2023 14:48:25 -0500
Subject: [PATCH 087/318] removing stat no longer tracked

---
 test/tutorial/test_solver_configuration.cpp | 1 -
 1 file changed, 1 deletion(-)

diff --git a/test/tutorial/test_solver_configuration.cpp b/test/tutorial/test_solver_configuration.cpp
index 533a7eb64..7f208005b 100644
--- a/test/tutorial/test_solver_configuration.cpp
+++ b/test/tutorial/test_solver_configuration.cpp
@@ -94,7 +94,6 @@ void test_solver_type(T solver)
       total_stats.decompositions += result.stats_.decompositions;
       total_stats.solves += result.stats_.solves;
       total_stats.singular += result.stats_.singular;
-      total_stats.total_steps += result.stats_.total_steps;
       total_stats.total_forcing_time += result.stats_.total_forcing_time;
       total_stats.total_jacobian_time += result.stats_.total_jacobian_time;
       total_stats.total_linear_factor_time += result.stats_.total_linear_factor_time;

From 53b06ef68795a81d74c9e3bd382e9898f46da77e Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 4 Oct 2023 15:01:07 -0500
Subject: [PATCH 088/318] only running docker build and test for pushes, the
 rest run on pull requests only

---
 .github/workflows/test.yml | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
index 015e00bfc..237890f32 100644
--- a/.github/workflows/test.yml
+++ b/.github/workflows/test.yml
@@ -50,7 +50,7 @@ jobs:
           files: coverage.info
 
   multiplatform:
-    if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.event.pull_request.base.repo.full_name
+    if: github.event_name == 'pull_request'
     runs-on: ${{ matrix.os }}
     strategy:
       fail-fast: false
@@ -106,7 +106,7 @@ jobs:
           ctest -C Debug --rerun-failed --output-on-failure . --verbose
 
   xcode_1:
-    if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.event.pull_request.base.repo.full_name
+    if: github.event_name == 'pull_request'
     runs-on: macos-12
     strategy:
       matrix:
@@ -130,7 +130,7 @@ jobs:
           ctest --rerun-failed --output-on-failure . --verbose -j 10
 
   xcode_2:
-    if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.event.pull_request.base.repo.full_name
+    if: github.event_name == 'pull_request'
     runs-on: macos-13
     strategy:
       matrix:

From 02966b61b32dd8f90597fa0507a05a1d52acc127 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Wed, 4 Oct 2023 13:30:19 -0700
Subject: [PATCH 089/318] fix template default arg

---
 include/micm/solver/rosenbrock.hpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index e8c6650db..b692d1151 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -152,7 +152,7 @@ namespace micm
   /// The template parameter is the type of matrix to use
   template<
       template<class> class MatrixPolicy = Matrix,
-      template<class> class SparseMatrixPolicy = SparseMatrix,
+      template<class> class SparseMatrixPolicy = StandardSparseMatrix,
       class LinearSolverPolicy = LinearSolver<double, SparseMatrixPolicy>>
   class RosenbrockSolver
   {

From 85e325f5e269fdc9fae1c470ca839287e1f848c6 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Thu, 5 Oct 2023 14:11:55 -0500
Subject: [PATCH 090/318] disabling clang tidy for gtest in a better way

---
 cmake/dependencies.cmake | 16 +++++-----------
 1 file changed, 5 insertions(+), 11 deletions(-)

diff --git a/cmake/dependencies.cmake b/cmake/dependencies.cmake
index 423ca7c69..75cd0d00c 100644
--- a/cmake/dependencies.cmake
+++ b/cmake/dependencies.cmake
@@ -74,17 +74,9 @@ endif()
 # google test
 
 if(PROJECT_IS_TOP_LEVEL)
-  # if google test isn't installed, fetch content will download and build what is needed
-  # but, we don't want to run clang tidy on google test, save those variables and reset them later
-  foreach (lang IN ITEMS C CXX)
-    set("CMAKE_${lang}_CLANG_TIDY_save" "${CMAKE_${lang}_CLANG_TIDY}")
-    set("CMAKE_${lang}_CLANG_TIDY" "")
-  endforeach ()
-
   FetchContent_Declare(googletest
     GIT_REPOSITORY https://github.com/google/googletest.git
     GIT_TAG be03d00f5f0cc3a997d1a368bee8a1fe93651f48
-    # FIND_PACKAGE_ARGS GTest
   )
 
   set(INSTALL_GTEST OFF CACHE BOOL "" FORCE)
@@ -92,9 +84,11 @@ if(PROJECT_IS_TOP_LEVEL)
 
   FetchContent_MakeAvailable(googletest)
 
-  foreach (lang IN ITEMS C CXX)
-    set("CMAKE_${lang}_CLANG_TIDY" "${CMAKE_${lang}_CLANG_TIDY_save}")
-  endforeach ()
+  # don't run clang-tidy on google test
+  set_target_properties(gtest PROPERTIES CXX_CLANG_TIDY "")
+  set_target_properties(gtest_main PROPERTIES CXX_CLANG_TIDY "")
+  # set_target_properties(gmock PROPERTIES CXX_CLANG_TIDY "")
+  # set_target_properties(gmock_main PROPERTIES CXX_CLANG_TIDY "")
 endif()
 
 ################################################################################

From 8bfcaa52ffd5155167a864b7d283a32269805e44 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Thu, 5 Oct 2023 17:46:50 -0500
Subject: [PATCH 091/318] removing documentation dependencies from readme
 (#288)

---
 README.md | 7 -------
 1 file changed, 7 deletions(-)

diff --git a/README.md b/README.md
index 25b4beb45..aac60f036 100644
--- a/README.md
+++ b/README.md
@@ -14,13 +14,6 @@ Copyright (C) 2018-2023 National Center for Atmospheric Research
 
 ## Installing MICM locally
 To build and install MICM locally, you must have CMake installed on your machine.
-If you plan to build the documentation, you must also have:
-
-- [sphinx](https://github.com/sphinx-doc/sphinx)
-- [sphinx-book-theme](https://github.com/executablebooks/sphinx-book-theme)
-- [sphinx-design](https://github.com/executablebooks/sphinx-design)
-- [breathe](https://github.com/breathe-doc/breathe)
-
 
 Open a terminal window, navigate to a folder where you would like the MICM files to exist,
 and run the following commands:

From d3a494e4610d89fe72ddb6193ffcd1524c294c0f Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Thu, 5 Oct 2023 17:47:54 -0500
Subject: [PATCH 092/318] putting docker files into their own folder (#289)

---
 .github/workflows/gh_pages.yml                    | 6 +++---
 .github/workflows/test.yml                        | 2 +-
 README.md                                         | 2 +-
 Dockerfile => docker/Dockerfile                   | 0
 Dockerfile.coverage => docker/Dockerfile.coverage | 0
 Dockerfile.docs => docker/Dockerfile.docs         | 0
 Dockerfile.intel => docker/Dockerfile.intel       | 0
 Dockerfile.llvm => docker/Dockerfile.llvm         | 0
 Dockerfile.memcheck => docker/Dockerfile.memcheck | 0
 Dockerfile.mpi => docker/Dockerfile.mpi           | 0
 Dockerfile.no_json => docker/Dockerfile.no_json   | 0
 Dockerfile.nvhpc => docker/Dockerfile.nvhpc       | 0
 Dockerfile.openmp => docker/Dockerfile.openmp     | 0
 docs/source/getting_started.rst                   | 2 +-
 14 files changed, 6 insertions(+), 6 deletions(-)
 rename Dockerfile => docker/Dockerfile (100%)
 rename Dockerfile.coverage => docker/Dockerfile.coverage (100%)
 rename Dockerfile.docs => docker/Dockerfile.docs (100%)
 rename Dockerfile.intel => docker/Dockerfile.intel (100%)
 rename Dockerfile.llvm => docker/Dockerfile.llvm (100%)
 rename Dockerfile.memcheck => docker/Dockerfile.memcheck (100%)
 rename Dockerfile.mpi => docker/Dockerfile.mpi (100%)
 rename Dockerfile.no_json => docker/Dockerfile.no_json (100%)
 rename Dockerfile.nvhpc => docker/Dockerfile.nvhpc (100%)
 rename Dockerfile.openmp => docker/Dockerfile.openmp (100%)

diff --git a/.github/workflows/gh_pages.yml b/.github/workflows/gh_pages.yml
index d32d350dc..4fa77e084 100644
--- a/.github/workflows/gh_pages.yml
+++ b/.github/workflows/gh_pages.yml
@@ -53,7 +53,7 @@ jobs:
 
           # create two copies of the documentaiton
           # 1. the frozen version, represented as vX.X in the version switcher
-          docker build -t micm -f Dockerfile.docs .
+          docker build -t micm -f docker/Dockerfile.docs .
           id=$(docker create micm)
           docker cp $id:/build/docs/sphinx tmpdocs
           docker rm -v $id
@@ -62,7 +62,7 @@ jobs:
 
           # 2. stable, represented as vX.X (stable) in the version switcher
           # edit conf.py to produce a version string that looks like vX.X (stable)
-          docker build -t micm -f Dockerfile.docs --build-arg SUFFIX=" (stable)" .
+          docker build -t micm -f docker/Dockerfile.docs --build-arg SUFFIX=" (stable)" .
           id=$(docker create micm)
           docker cp $id:/build/docs/sphinx tmpdocs
           docker rm -v $id
@@ -83,7 +83,7 @@ jobs:
           !contains(github.ref, env.DEFAULT_BRANCH)
         run: |
           set -x
-          docker build -t micm -f Dockerfile.docs .
+          docker build -t micm -f docker/Dockerfile.docs .
           id=$(docker create micm)
           docker cp $id:/build/docs/sphinx tmpdocs
           docker rm -v $id
diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
index 237890f32..6196422ef 100644
--- a/.github/workflows/test.yml
+++ b/.github/workflows/test.yml
@@ -28,7 +28,7 @@ jobs:
           submodules: recursive
 
       - name: Build Docker image
-        run: docker build -t micm -f ${{ matrix.dockerfile }} .
+        run: docker build -t micm -f docker/${{ matrix.dockerfile }} .
 
       - name: Run tests in container
         if: matrix.dockerfile != 'Dockerfile.coverage'
diff --git a/README.md b/README.md
index aac60f036..ba1895a51 100644
--- a/README.md
+++ b/README.md
@@ -51,7 +51,7 @@ To build the latest pre-release version of MICM, instead run:
 ```
 git clone https://github.com/NCAR/micm.git
 cd micm
-docker build -t micm .
+docker build -t micm -f docker/Dockerfile .
 docker run -it micm bash
 ```
 
diff --git a/Dockerfile b/docker/Dockerfile
similarity index 100%
rename from Dockerfile
rename to docker/Dockerfile
diff --git a/Dockerfile.coverage b/docker/Dockerfile.coverage
similarity index 100%
rename from Dockerfile.coverage
rename to docker/Dockerfile.coverage
diff --git a/Dockerfile.docs b/docker/Dockerfile.docs
similarity index 100%
rename from Dockerfile.docs
rename to docker/Dockerfile.docs
diff --git a/Dockerfile.intel b/docker/Dockerfile.intel
similarity index 100%
rename from Dockerfile.intel
rename to docker/Dockerfile.intel
diff --git a/Dockerfile.llvm b/docker/Dockerfile.llvm
similarity index 100%
rename from Dockerfile.llvm
rename to docker/Dockerfile.llvm
diff --git a/Dockerfile.memcheck b/docker/Dockerfile.memcheck
similarity index 100%
rename from Dockerfile.memcheck
rename to docker/Dockerfile.memcheck
diff --git a/Dockerfile.mpi b/docker/Dockerfile.mpi
similarity index 100%
rename from Dockerfile.mpi
rename to docker/Dockerfile.mpi
diff --git a/Dockerfile.no_json b/docker/Dockerfile.no_json
similarity index 100%
rename from Dockerfile.no_json
rename to docker/Dockerfile.no_json
diff --git a/Dockerfile.nvhpc b/docker/Dockerfile.nvhpc
similarity index 100%
rename from Dockerfile.nvhpc
rename to docker/Dockerfile.nvhpc
diff --git a/Dockerfile.openmp b/docker/Dockerfile.openmp
similarity index 100%
rename from Dockerfile.openmp
rename to docker/Dockerfile.openmp
diff --git a/docs/source/getting_started.rst b/docs/source/getting_started.rst
index 8ffb89280..aaebdcfbf 100644
--- a/docs/source/getting_started.rst
+++ b/docs/source/getting_started.rst
@@ -47,7 +47,7 @@ Docker Container
 
 Build and run the image::
 
-    $ docker build -t micm -f Dockerfile.nvhpc .
+    $ docker build -t micm -f docker/Dockerfile.nvhpc .
     $ docker run --rm -it micm
 
 If you would like, you can ssh into a running docker container and edit the files there.

From d1f27f319e0a21f732765aa327ac6300d01a68b8 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Thu, 5 Oct 2023 17:51:59 -0500
Subject: [PATCH 093/318] Switcher again (#291)

* copying switcher even for branch builds

* trying to correct versions

* trying to fix switcher

* trying to fix the switcher

* switching tab system

* putting back branch build
---
 .github/workflows/gh_pages.yml                 |  6 ++++--
 docs/requirements.txt                          |  1 -
 docs/source/_static/switcher.json              | 17 +++++++++++++++++
 docs/source/conf.py                            |  9 ++++-----
 docs/source/user_guide/but_how_fast_is_it.rst  |  4 ++--
 docs/source/user_guide/multiple_grid_cells.rst |  4 ++--
 docs/source/user_guide/openmp.rst              |  4 ++--
 .../user_guide/rate_constant_tutorial.rst      | 18 +++++++++---------
 .../user_guide/solver_configurations.rst       |  4 ++--
 .../user_defined_rate_constant_tutorial.rst    | 18 +++++++++---------
 docs/switcher.json                             | 12 ------------
 11 files changed, 51 insertions(+), 46 deletions(-)
 create mode 100644 docs/source/_static/switcher.json
 delete mode 100644 docs/switcher.json

diff --git a/.github/workflows/gh_pages.yml b/.github/workflows/gh_pages.yml
index 4fa77e084..06f69afd5 100644
--- a/.github/workflows/gh_pages.yml
+++ b/.github/workflows/gh_pages.yml
@@ -51,7 +51,7 @@ jobs:
           set -x
           mkdir -p _build/html/versions
 
-          # create two copies of the documentaiton
+          # create two copies of the documentation
           # 1. the frozen version, represented as vX.X in the version switcher
           docker build -t micm -f docker/Dockerfile.docs .
           id=$(docker create micm)
@@ -73,7 +73,9 @@ jobs:
           # _gh-pages itself.
           find _gh-pages/ -mindepth 1 ! -path '_gh-pages/branch*' ! -path '_gh-pages/versions*' -delete
           rsync -a _build/html/versions/stable/* _gh-pages/
-          mv docs/switcher.json _gh-pages
+          mkdir -p _gh-pages/versions
+          rsync -a _build/html/versions/* _gh-pages/versions
+          # mv docs/switcher.json _gh-pages
 
       # If a push and not on default branch, then copy the build to
       # _gh-pages/branch/$brname (transforming '/' into '--')
diff --git a/docs/requirements.txt b/docs/requirements.txt
index 54661a4bb..321eb0b5f 100644
--- a/docs/requirements.txt
+++ b/docs/requirements.txt
@@ -3,5 +3,4 @@ sphinx
 sphinx-book-theme
 sphinx-copybutton
 sphinx-design
-sphinx-tabs
 sphinxcontrib-bibtex
\ No newline at end of file
diff --git a/docs/source/_static/switcher.json b/docs/source/_static/switcher.json
new file mode 100644
index 000000000..290f60623
--- /dev/null
+++ b/docs/source/_static/switcher.json
@@ -0,0 +1,17 @@
+[
+  {
+      "name": "v3.2.0 (stable)",
+      "version": "v3.2.0 (stable)",
+      "url": "https://ncar.github.io/micm"
+  },
+  {
+      "name": "v3.2.0",
+      "version": "3.2.0",
+      "url": "https://ncar.github.io/micm/versions/3.2.0"
+  },
+  {
+    "name": "dev",
+    "version": "dev",
+    "url": "https://ncar.github.io/micm/branch/main/"
+  }
+]
\ No newline at end of file
diff --git a/docs/source/conf.py b/docs/source/conf.py
index b6bd108b6..5c753c8c5 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -21,9 +21,9 @@
 copyright = f'2022-{datetime.datetime.now().year}, NCAR/UCAR'
 author = 'NCAR/UCAR'
 
-# The full version, including alpha/beta/rc tags
-release = '3.2.0'
-
+suffix = os.getenv("SWITCHER_SUFFIX", "")
+# the suffix is required. This is controlled by the dockerfile that builds the docs
+release = f'v3.2.0{suffix}'
 
 # -- General configuration ---------------------------------------------------
 
@@ -34,7 +34,6 @@
   'breathe',
   'sphinx_copybutton',
   'sphinx_design',
-  'sphinx_tabs.tabs',
   'sphinxcontrib.bibtex',
 ]
 
@@ -64,7 +63,7 @@
     "github_url": "https://github.com/NCAR/micm",
     "navbar_end": ["version-switcher", "navbar-icon-links"],
     "switcher": {
-        "json_url": "https://ncar.github.io/micm/switcher.json",
+        "json_url": "https://ncar.github.io/micm/_static/switcher.json",
         "version_match": release,
     },
 }
diff --git a/docs/source/user_guide/but_how_fast_is_it.rst b/docs/source/user_guide/but_how_fast_is_it.rst
index ee3e41dc1..de67d03c0 100644
--- a/docs/source/user_guide/but_how_fast_is_it.rst
+++ b/docs/source/user_guide/but_how_fast_is_it.rst
@@ -18,9 +18,9 @@ the solver.
 If you're looking for a copy and paste, choose
 the appropriate tab below and be on your way! Otherwise, stick around for a line by line explanation.
 
-.. tabs::
+.. tab-set::
 
-    .. tab:: Build the Mechanism with the API
+    .. tab-item:: Build the Mechanism with the API
 
       .. literalinclude:: ../../../test/tutorial/test_but_how_fast_is_it.cpp
         :language: cpp
diff --git a/docs/source/user_guide/multiple_grid_cells.rst b/docs/source/user_guide/multiple_grid_cells.rst
index de01b7e04..245911f4c 100644
--- a/docs/source/user_guide/multiple_grid_cells.rst
+++ b/docs/source/user_guide/multiple_grid_cells.rst
@@ -20,9 +20,9 @@ The third grid cell will have concentrations half as large as the first grid cel
 If you're looking for a copy and paste, choose
 the appropriate tab below and be on your way! Otherwise, stick around for a line by line explanation.
 
-.. tabs::
+.. tab-set::
 
-    .. tab:: Build the Mechanism with the API
+    .. tab-item:: Build the Mechanism with the API
 
       .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
         :language: cpp
diff --git a/docs/source/user_guide/openmp.rst b/docs/source/user_guide/openmp.rst
index fe20c65d3..4d620d655 100644
--- a/docs/source/user_guide/openmp.rst
+++ b/docs/source/user_guide/openmp.rst
@@ -14,9 +14,9 @@ We will use a simple 3-reaction 3-species mechanism. The setup here is the same
 
 If you're looking for a copy and paste, copy below and be on your way! Otherwise, stick around for a line by line explanation.
 
-.. tabs::
+.. tab-set::
 
-    .. tab:: OpenAtmos Configuration reading
+    .. tab-item:: OpenAtmos Configuration reading
 
       .. raw:: html
 
diff --git a/docs/source/user_guide/rate_constant_tutorial.rst b/docs/source/user_guide/rate_constant_tutorial.rst
index 2e99d6ffa..3ac2f6624 100644
--- a/docs/source/user_guide/rate_constant_tutorial.rst
+++ b/docs/source/user_guide/rate_constant_tutorial.rst
@@ -41,14 +41,14 @@ If you're looking for a copy and paste, choose
 the appropriate tab below and be on your way! Otherwise, stick around for a line by line explanation.
 
 
-.. tabs::
+.. tab-set::
 
-    .. tab:: Build the Mechanism with the API
+    .. tab-item:: Build the Mechanism with the API
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
           :language: cpp
 
-    .. tab:: OpenAtmos Configuration reading
+    .. tab-item:: OpenAtmos Configuration reading
 
         .. raw:: html
 
@@ -81,9 +81,9 @@ rosenbrock solver.
 To create a :cpp:class:`micm::RosenbrockSolver`, we have to define a chemical system (:cpp:class:`micm::System`)
 and our reactions, which will be a vector of :cpp:class:`micm::Process` We will use the species to define these.
 
-.. tabs::
+.. tab-set::
 
-    .. tab:: Build the Mechanism with the API
+    .. tab-item:: Build the Mechanism with the API
 
         To do this by hand, we have to define all of the chemical species in the system. This allows us to set
         any properties of the species that may be necessary for rate constanta calculations, like molecular weights 
@@ -108,7 +108,7 @@ and our reactions, which will be a vector of :cpp:class:`micm::Process` We will
           :language: cpp
           :lines: 135-136
 
-    .. tab:: OpenAtmos Configuration reading
+    .. tab-item:: OpenAtmos Configuration reading
 
         After defining a valid OpenAtmos configuration with reactions that ``micm`` supports, configuring the chemical
         system and the processes is as simple as using the :cpp:class:`micm::SolverConfig` class
@@ -133,15 +133,15 @@ custom rate parameters, and temperature and pressure
 Initializing the state
 ^^^^^^^^^^^^^^^^^^^^^^
 
-.. tabs::
+.. tab-set::
 
-    .. tab:: Build the Mechanism with the API
+    .. tab-item:: Build the Mechanism with the API
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
           :language: cpp
           :lines: 141-155
 
-    .. tab:: OpenAtmos Configuration reading
+    .. tab-item:: OpenAtmos Configuration reading
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
           :language: cpp
diff --git a/docs/source/user_guide/solver_configurations.rst b/docs/source/user_guide/solver_configurations.rst
index 47bd81905..37b68039b 100644
--- a/docs/source/user_guide/solver_configurations.rst
+++ b/docs/source/user_guide/solver_configurations.rst
@@ -16,9 +16,9 @@ We will use a simple 3-reaction 3-species mechanism. The setup here is the same
 If you're looking for a copy and paste, choose
 the appropriate tab below and be on your way! Otherwise, stick around for a line by line explanation.
 
-.. tabs::
+.. tab-set::
 
-    .. tab:: Build the Mechanism with the API
+    .. tab-item:: Build the Mechanism with the API
 
       .. literalinclude:: ../../../test/tutorial/test_solver_configuration.cpp
         :language: cpp
diff --git a/docs/source/user_guide/user_defined_rate_constant_tutorial.rst b/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
index f6b577da6..089f6aa12 100644
--- a/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
+++ b/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
@@ -29,14 +29,14 @@ To show how this works, we'll add one photolysis reaction, one first-order loss
 If you're looking for a copy and paste, choose
 the appropriate tab below and be on your way! Otherwise, stick around for a line by line explanation.
 
-.. tabs::
+.. tab-set::
 
-    .. tab:: Build the Mechanism with the API
+    .. tab-item:: Build the Mechanism with the API
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_user_defined_by_hand.cpp
           :language: cpp
 
-    .. tab:: OpenAtmos Configuration reading
+    .. tab-item:: OpenAtmos Configuration reading
 
         .. raw:: html
 
@@ -70,9 +70,9 @@ Then setup the reaction which will use this rate constant:
 
 
 
-.. tabs::
+.. tab-set::
 
-    .. tab:: Build the Mechanism with the API
+    .. tab-item:: Build the Mechanism with the API
 
         .. code-block:: diff
 
@@ -104,7 +104,7 @@ Then setup the reaction which will use this rate constant:
 
 
 
-    .. tab:: OpenAtmos Configuration reading
+    .. tab-item:: OpenAtmos Configuration reading
 
         In this case, you only need to add the configuration to the reactions.json file in the configuration directory.
 
@@ -137,9 +137,9 @@ Finally, set and upate the rate constants as needed:
 
 
 
-.. tabs::
+.. tab-set::
 
-    .. tab:: Build the Mechanism with the API
+    .. tab-item:: Build the Mechanism with the API
 
         .. code-block:: diff
 
@@ -171,7 +171,7 @@ Finally, set and upate the rate constants as needed:
           +   photo_rate *= 1.5;
            }
 
-    .. tab:: OpenAtmos Configuration reading
+    .. tab-item:: OpenAtmos Configuration reading
 
         In this case, you only need to add the configuration to the reactions.json file in the configuration directory.
         When reading in from a configuration file, the loss, emissions, and photolysis rates are prefixed with
diff --git a/docs/switcher.json b/docs/switcher.json
deleted file mode 100644
index b7ee4c723..000000000
--- a/docs/switcher.json
+++ /dev/null
@@ -1,12 +0,0 @@
-[
-  {
-      "name": "v3.2.0 (stable)",
-      "version": "stable",
-      "url": "https://ncar.github.io/micm/versions/stable"
-  },
-  {
-    "name": "dev",
-    "version": "dev",
-    "url": "https://ncar.github.io/micm/branch/main/"
-  }
-]
\ No newline at end of file

From 5b0d1ba0314995c173aa6e5a5ce827f6fe945c80 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Tue, 10 Oct 2023 11:09:38 -0600
Subject: [PATCH 094/318] Copied solver_config.hpp to
 species_mechanism_config.hpp.

---
 .../configure/species_mechanism_config.hpp    | 818 ++++++++++++++++++
 1 file changed, 818 insertions(+)
 create mode 100644 include/micm/configure/species_mechanism_config.hpp

diff --git a/include/micm/configure/species_mechanism_config.hpp b/include/micm/configure/species_mechanism_config.hpp
new file mode 100644
index 000000000..ea004b40e
--- /dev/null
+++ b/include/micm/configure/species_mechanism_config.hpp
@@ -0,0 +1,818 @@
+// Copyright (C) 2023 National Center for Atmospheric Research,
+//
+// SPDX-License-Identifier: Apache-2.0
+
+#pragma once
+
+#include <array>
+#include <filesystem>
+#include <fstream>
+#include <iostream>
+#include <micm/process/arrhenius_rate_constant.hpp>
+#include <micm/process/branched_rate_constant.hpp>
+#include <micm/process/process.hpp>
+#include <micm/process/surface_rate_constant.hpp>
+#include <micm/process/ternary_chemical_activation_rate_constant.hpp>
+#include <micm/process/troe_rate_constant.hpp>
+#include <micm/process/tunneling_rate_constant.hpp>
+#include <micm/process/user_defined_rate_constant.hpp>
+#include <micm/system/phase.hpp>
+#include <micm/system/species.hpp>
+#include <micm/system/system.hpp>
+#include <micm/util/constants.hpp>
+#include <nlohmann/json.hpp>
+#include <variant>
+
+namespace micm
+{
+  enum class ConfigParseStatus
+  {
+    Success,
+    None,
+    InvalidSpeciesFilePath,
+    InvalidReactionsFilePath,
+    InvalidKey,
+    UnknownKey,
+    InvalidSpecies,
+    CAMPFilesSectionNotFound,
+    InvalidCAMPFileCount,
+    CAMPDataSectionNotFound,
+    InvalidMechanism,
+    ObjectTypeNotFound,
+    RequiredKeyNotFound
+  };
+
+  inline std::string configParseStatusToString(const ConfigParseStatus& status)
+  {
+    switch (status)
+    {
+      case ConfigParseStatus::Success: return "Success";
+      case ConfigParseStatus::None: return "None";
+      case ConfigParseStatus::InvalidSpeciesFilePath: return "InvalidSpeciesFilePath";
+      case ConfigParseStatus::InvalidReactionsFilePath: return "InvalidReactionsFilePath";
+      case ConfigParseStatus::InvalidKey: return "InvalidKey";
+      case ConfigParseStatus::UnknownKey: return "UnknownKey";
+      case ConfigParseStatus::InvalidSpecies: return "InvalidSpecies";
+      case ConfigParseStatus::CAMPFilesSectionNotFound: return "CAMPFilesSectionNotFound";
+      case ConfigParseStatus::InvalidCAMPFileCount: return "InvalidCAMPFileCount";
+      case ConfigParseStatus::CAMPDataSectionNotFound: return "CAMPDataSectionNotFound";
+      case ConfigParseStatus::InvalidMechanism: return "InvalidMechanism";
+      case ConfigParseStatus::ObjectTypeNotFound: return "ObjectTypeNotFound";
+      case ConfigParseStatus::RequiredKeyNotFound: return "RequiredKeyNotFound";
+      default: return "Unknown";
+    }
+  }
+
+  // Solver parameters
+  struct SolverParameters
+  {
+    System system_;
+    std::vector<Process> processes_;
+
+    SolverParameters(const System& system, std::vector<Process>&& processes)
+        : system_(system),
+          processes_(std::move(processes))
+    {
+    }
+
+    SolverParameters(System&& system, std::vector<Process>&& processes)
+        : system_(std::move(system)),
+          processes_(std::move(processes))
+    {
+    }
+  };
+
+  // JSON Configure paser
+  class JsonReaderPolicy
+  {
+    using json = nlohmann::json;
+
+   public:
+    // Read from species configure
+    std::vector<Species> species_arr_;
+
+    // Read from reaction configure
+    std::vector<UserDefinedRateConstant> user_defined_rate_arr_;
+    std::vector<ArrheniusRateConstant> arrhenius_rate_arr_;
+    std::vector<BranchedRateConstant> branched_rate_arr_;
+    std::vector<SurfaceRateConstant> surface_rate_arr_;
+    std::vector<TroeRateConstant> troe_rate_arr_;
+    std::vector<TernaryChemicalActivationRateConstant> ternary_rate_arr_;
+    std::vector<TunnelingRateConstant> tunneling_rate_arr_;
+
+    // Specific for solver parameters
+    Phase gas_phase_;
+    std::unordered_map<std::string, Phase> phases_;
+    std::vector<Process> processes_;
+
+    // Constants
+    // Configure files
+    static const inline std::string CAMP_CONFIG = "config.json";
+    static const inline std::string SPECIES_CONFIG = "species.json";
+    static const inline std::string MECHANISM_CONFIG = "mechanism.json";
+    static const inline std::string REACTIONS_CONFIG = "reactions.json";
+    static const inline std::string TOLERANCE_CONFIG = "tolerance.json";
+
+    // Common JSON
+    static const inline std::string CAMP_DATA = "camp-data";
+    static const inline std::string CAMP_FILES = "camp-files";
+    static const inline std::string TYPE = "type";
+
+    // Functions
+
+    /// @brief Parse configures
+    /// @return True for successful parsing
+    ConfigParseStatus Parse(const std::filesystem::path& config_dir)
+    {
+      // Create configure paths
+      std::filesystem::path species_config(config_dir / SPECIES_CONFIG);
+      std::filesystem::path mechanism_config(config_dir / MECHANISM_CONFIG);
+      std::filesystem::path reactions_config(config_dir / REACTIONS_CONFIG);
+      // Note tolerance_config is defined here but not used
+      std::filesystem::path tolerance_config(config_dir / TOLERANCE_CONFIG);
+
+      // Look for CAMP config file
+      std::filesystem::path camp_config(config_dir / CAMP_CONFIG);
+      if (std::filesystem::exists(camp_config))
+      {
+        json camp_data = json::parse(std::ifstream(camp_config));
+        if (!camp_data.contains(CAMP_FILES))
+          return ConfigParseStatus::CAMPFilesSectionNotFound;
+
+        std::vector<std::string> camp_files;
+        for (const auto& element : camp_data[CAMP_FILES])
+        {
+          camp_files.push_back(element.get<std::string>());
+        }
+        if (camp_files.size() != 2)
+        {
+          std::string err_msg = "CAMP file list should contain two files [species.json, mechanism.json]";
+          std::cerr << err_msg << std::endl;
+          return ConfigParseStatus::InvalidCAMPFileCount;
+        }
+        // As a temporary implementation, assume camp files are ordered
+        species_config = config_dir / camp_files[0];
+        mechanism_config = config_dir / camp_files[1];
+      }
+
+      // Current reaction configs should be either mechanism_config or reactions_config
+      std::filesystem::path cur_reactions_config;
+
+      // Check if species config exists
+      if (!std::filesystem::exists(species_config))
+      {
+        std::string err_msg = "Species configuration file at path " + species_config.string() + " does not exist\n";
+        std::cerr << err_msg << std::endl;
+        return ConfigParseStatus::InvalidSpeciesFilePath;
+      }
+
+      // Check if a reaction configure exists and decide which one
+      if (std::filesystem::exists(mechanism_config))
+      {
+        cur_reactions_config = mechanism_config;
+      }
+      else if (std::filesystem::exists(reactions_config))
+      {
+        cur_reactions_config = reactions_config;
+      }
+      else
+      {
+        std::string err_msg = "Reaction configuration file at path " + mechanism_config.string() + " or " +
+                              reactions_config.string() + " does not exist\n";
+        std::cerr << err_msg << std::endl;
+        return ConfigParseStatus::InvalidReactionsFilePath;
+      }
+
+      // Read species file to create Species and Phase that needs to be known to System and Process
+
+      auto species_status = ConfigureSpecies(species_config);
+      if (species_status != ConfigParseStatus::Success)
+        return species_status;
+
+      // Assign the parsed 'Species' to 'Phase'
+      gas_phase_ = Phase(species_arr_);
+
+      // Read reactions file
+      json reaction_data = json::parse(std::ifstream(cur_reactions_config));
+
+      if (!reaction_data.contains(CAMP_DATA))
+        return ConfigParseStatus::CAMPDataSectionNotFound;
+
+      std::vector<json> reaction_objects;
+      for (const auto& element : reaction_data[CAMP_DATA])
+      {
+        reaction_objects.push_back(element);
+      }
+
+      return ParseObjectArray(reaction_objects);
+    }
+
+   private:
+    /// @brief Create 'Species' and 'Phase'
+    /// @param path to 'Species' file
+    /// @return True at success
+    ConfigParseStatus ConfigureSpecies(const std::filesystem::path& file)
+    {
+      ConfigParseStatus status = ConfigParseStatus::None;
+      json file_data = json::parse(std::ifstream(file));
+
+      if (!file_data.contains(CAMP_DATA))
+        return ConfigParseStatus::CAMPDataSectionNotFound;
+
+      std::vector<json> objects;
+      for (const auto& element : file_data[CAMP_DATA])
+        objects.push_back(element);
+
+      for (const auto& object : objects)
+      {
+        if (!ValidateJsonWithKey(object, TYPE))
+        {
+          status = ConfigParseStatus::ObjectTypeNotFound;
+          break;
+        }
+
+        std::string type = object[TYPE].get<std::string>();
+
+        if (type == "CHEM_SPEC")
+        {
+          status = ParseChemicalSpecies(object);
+        }
+        else if (type == "RELATIVE_TOLERANCE")
+        {
+          status = ParseRelativeTolerance(object);
+        }
+
+        if (status != ConfigParseStatus::Success)
+          break;
+      }
+
+      return status;
+    }
+
+    bool ValidateJsonWithKey(const json& object, const std::string& key)
+    {
+      if (!object.contains(key))
+      {
+        std::string msg = "Key " + key + " was not found in the config file";
+        std::cerr << msg << std::endl;
+        return false;
+      }
+      return true;
+    }
+
+    ConfigParseStatus ParseObjectArray(const std::vector<json>& objects)
+    {
+      ConfigParseStatus status = ConfigParseStatus::None;
+
+      for (const auto& object : objects)
+      {
+        if (!ValidateJsonWithKey(object, TYPE))
+        {
+          status = ConfigParseStatus::ObjectTypeNotFound;
+          break;
+        }
+
+        std::string type = object[TYPE].get<std::string>();
+
+        if (type == "MECHANISM")
+        {
+          status = ParseMechanism(object);
+        }
+        else if (type == "PHOTOLYSIS")
+        {
+          status = ParsePhotolysis(object);
+        }
+        else if (type == "ARRHENIUS")
+        {
+          status = ParseArrhenius(object);
+        }
+        else if (type == "BRANCHED" || type == "WENNBERG_NO_RO2")
+        {
+          status = ParseBranched(object);
+        }
+        else if (type == "TERNARY_CHEMICAL_ACTIVATION")
+        {
+          status = ParseTernaryChemicalActivation(object);
+        }
+        else if (type == "TROE")
+        {
+          status = ParseTroe(object);
+        }
+        else if (type == "TUNNELING" || type == "WENNBERG_TUNNELING")
+        {
+          status = ParseTunneling(object);
+        }
+        else if (type == "EMISSION")
+        {
+          status = ParseEmission(object);
+        }
+        else if (type == "FIRST_ORDER_LOSS")
+        {
+          status = ParseFirstOrderLoss(object);
+        }
+        else if (type == "SURFACE")
+        {
+          status = ParseSurface(object);
+        }
+        else
+        {
+          status = ConfigParseStatus::UnknownKey;
+        }
+        if (status != ConfigParseStatus::Success)
+          break;
+      }
+
+      return status;
+    }
+
+    ConfigParseStatus ParseChemicalSpecies(const json& object)
+    {
+      // required keys
+      const std::string NAME = "name";
+
+      std::array<std::string, 1> required_keys = { NAME };
+
+      // Check if it contains the required key(s)
+      for (const auto& key : required_keys)
+      {
+        if (!ValidateJsonWithKey(object, key))
+          return ConfigParseStatus::RequiredKeyNotFound;
+      }
+      std::string name = object[NAME].get<std::string>();
+
+      // Load remaining keys as properties
+      std::map<std::string, double> properties{};
+      for (auto& [key, value] : object.items())
+      {
+        if (value.is_number_float())
+          properties[key] = value;
+      }
+      species_arr_.push_back(Species(name, properties));
+
+      return ConfigParseStatus::Success;
+    }
+
+    ConfigParseStatus ParseRelativeTolerance(const json& object)
+    {
+      return ConfigParseStatus::Success;
+    }
+
+    ConfigParseStatus ParseMechanism(const json& object)
+    {
+      std::vector<std::string> required_keys = { "name", "reactions" };
+      for (const auto& key : required_keys)
+      {
+        if (!ValidateJsonWithKey(object, key))
+          return ConfigParseStatus::RequiredKeyNotFound;
+      }
+      std::vector<json> objects;
+      for (const auto& element : object["reactions"])
+      {
+        objects.push_back(element);
+      }
+
+      return ParseObjectArray(objects);
+    }
+
+    std::vector<Species> ParseReactants(const json& object)
+    {
+      const std::string QTY = "qty";
+      std::vector<Species> reactants;
+      for (auto& [key, value] : object.items())
+      {
+        std::size_t qty = 1;
+        if (value.contains(QTY))
+          qty = value[QTY];
+        for (std::size_t i = 0; i < qty; ++i)
+          reactants.push_back(Species(key));
+      }
+      return reactants;
+    }
+
+    std::vector<std::pair<Species, double>> ParseProducts(const json& object)
+    {
+      const std::string YIELD = "yield";
+      constexpr double DEFAULT_YEILD = 1.0;
+      std::vector<std::pair<Species, double>> products;
+      for (auto& [key, value] : object.items())
+      {
+        if (value.contains(YIELD))
+        {
+          products.push_back(std::make_pair(Species(key), value[YIELD]));
+        }
+        else
+        {
+          products.push_back(std::make_pair(Species(key), DEFAULT_YEILD));
+        }
+      }
+      return products;
+    }
+
+    ConfigParseStatus ParsePhotolysis(const json& object)
+    {
+      const std::string REACTANTS = "reactants";
+      const std::string PRODUCTS = "products";
+      const std::string MUSICA_NAME = "MUSICA name";
+
+      for (const auto& key : { REACTANTS, PRODUCTS, MUSICA_NAME })
+      {
+        if (!ValidateJsonWithKey(object, key))
+          return ConfigParseStatus::RequiredKeyNotFound;
+      }
+
+      auto reactants = ParseReactants(object[REACTANTS]);
+      auto products = ParseProducts(object[PRODUCTS]);
+
+      std::string name = "PHOTO." + object[MUSICA_NAME].get<std::string>();
+
+      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
+
+      std::unique_ptr<UserDefinedRateConstant> rate_ptr =
+          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
+      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+
+      return ConfigParseStatus::Success;
+    }
+
+    ConfigParseStatus ParseArrhenius(const json& object)
+    {
+      const std::string REACTANTS = "reactants";
+      const std::string PRODUCTS = "products";
+
+      // Check required json objects exist
+      for (const auto& key : { REACTANTS, PRODUCTS })
+      {
+        if (!ValidateJsonWithKey(object, key))
+          return ConfigParseStatus::RequiredKeyNotFound;
+      }
+
+      auto reactants = ParseReactants(object[REACTANTS]);
+      auto products = ParseProducts(object[PRODUCTS]);
+
+      ArrheniusRateConstantParameters parameters;
+      if (object.contains("A"))
+      {
+        parameters.A_ = object["A"].get<double>();
+      }
+      if (object.contains("B"))
+      {
+        parameters.B_ = object["B"].get<double>();
+      }
+      if (object.contains("C"))
+      {
+        parameters.C_ = object["C"].get<double>();
+      }
+      if (object.contains("D"))
+      {
+        parameters.D_ = object["D"].get<double>();
+      }
+      if (object.contains("E"))
+      {
+        parameters.E_ = object["E"].get<double>();
+      }
+      if (object.contains("Ea"))
+      {
+        // Calculate 'C' using 'Ea'
+        parameters.C_ = -1 * object["Ea"].get<double>() / BOLTZMANN_CONSTANT;
+      }
+
+      arrhenius_rate_arr_.push_back(ArrheniusRateConstant(parameters));
+
+      std::unique_ptr<ArrheniusRateConstant> rate_ptr = std::make_unique<ArrheniusRateConstant>(parameters);
+
+      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+
+      return ConfigParseStatus::Success;
+    }
+
+    ConfigParseStatus ParseBranched(const json& object)
+    {
+      const std::string REACTANTS = "reactants";
+      const std::string ALKOXY_PRODUCTS = "alkoxy products";
+      const std::string NITRATE_PRODUCTS = "nitrate products";
+      const std::string X = "X";
+      const std::string Y = "Y";
+      const std::string A0 = "a0";
+      const std::string N = "n";
+
+      // Check required json objects exist
+      for (const auto& key : { REACTANTS, ALKOXY_PRODUCTS, NITRATE_PRODUCTS, X, Y, A0, N })
+      {
+        if (!ValidateJsonWithKey(object, key))
+          return ConfigParseStatus::RequiredKeyNotFound;
+      }
+
+      auto reactants = ParseReactants(object[REACTANTS]);
+      auto alkoxy_products = ParseProducts(object[ALKOXY_PRODUCTS]);
+      auto nitrate_products = ParseProducts(object[NITRATE_PRODUCTS]);
+
+      BranchedRateConstantParameters parameters;
+      parameters.X_ = object[X].get<double>();
+      parameters.Y_ = object[Y].get<double>();
+      parameters.a0_ = object[A0].get<double>();
+      parameters.n_ = object[N].get<int>();
+
+      // Alkoxy branch
+      parameters.branch_ = BranchedRateConstantParameters::Branch::Alkoxy;
+      branched_rate_arr_.push_back(BranchedRateConstant(parameters));
+      std::unique_ptr<BranchedRateConstant> rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
+      processes_.push_back(Process(reactants, alkoxy_products, std::move(rate_ptr), gas_phase_));
+
+      // Nitrate branch
+      parameters.branch_ = BranchedRateConstantParameters::Branch::Nitrate;
+      branched_rate_arr_.push_back(BranchedRateConstant(parameters));
+      rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
+      processes_.push_back(Process(reactants, nitrate_products, std::move(rate_ptr), gas_phase_));
+
+      return ConfigParseStatus::Success;
+    }
+
+    ConfigParseStatus ParseTroe(const json& object)
+    {
+      const std::string REACTANTS = "reactants";
+      const std::string PRODUCTS = "products";
+
+      // Check required json objects exist
+      for (const auto& key : { REACTANTS, PRODUCTS })
+      {
+        if (!ValidateJsonWithKey(object, key))
+          return ConfigParseStatus::RequiredKeyNotFound;
+      }
+
+      auto reactants = ParseReactants(object[REACTANTS]);
+      auto products = ParseProducts(object[PRODUCTS]);
+
+      TroeRateConstantParameters parameters;
+      if (object.contains("k0_A"))
+      {
+        parameters.k0_A_ = object["k0_A"].get<double>();
+      }
+      if (object.contains("k0_B"))
+      {
+        parameters.k0_B_ = object["k0_B"].get<double>();
+      }
+      if (object.contains("k0_C"))
+      {
+        parameters.k0_C_ = object["k0_C"].get<double>();
+      }
+      if (object.contains("kinf_A"))
+      {
+        parameters.kinf_A_ = object["kinf_A"].get<double>();
+      }
+      if (object.contains("kinf_B"))
+      {
+        parameters.kinf_B_ = object["kinf_B"].get<double>();
+      }
+      if (object.contains("kinf_C"))
+      {
+        parameters.kinf_C_ = object["kinf_C"].get<double>();
+      }
+      if (object.contains("Fc"))
+      {
+        parameters.Fc_ = object["Fc"].get<double>();
+      }
+      if (object.contains("N"))
+      {
+        parameters.N_ = object["N"].get<double>();
+      }
+
+      troe_rate_arr_.push_back(TroeRateConstant(parameters));
+
+      std::unique_ptr<TroeRateConstant> rate_ptr = std::make_unique<TroeRateConstant>(parameters);
+
+      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+
+      return ConfigParseStatus::Success;
+    }
+
+    ConfigParseStatus ParseTernaryChemicalActivation(const json& object)
+    {
+      const std::string REACTANTS = "reactants";
+      const std::string PRODUCTS = "products";
+
+      // Check required json objects exist
+      for (const auto& key : { REACTANTS, PRODUCTS })
+      {
+        if (!ValidateJsonWithKey(object, key))
+          return ConfigParseStatus::RequiredKeyNotFound;
+      }
+
+      auto reactants = ParseReactants(object[REACTANTS]);
+      auto products = ParseProducts(object[PRODUCTS]);
+
+      TernaryChemicalActivationRateConstantParameters parameters;
+      if (object.contains("k0_A"))
+      {
+        parameters.k0_A_ = object["k0_A"].get<double>();
+      }
+      if (object.contains("k0_B"))
+      {
+        parameters.k0_B_ = object["k0_B"].get<double>();
+      }
+      if (object.contains("k0_C"))
+      {
+        parameters.k0_C_ = object["k0_C"].get<double>();
+      }
+      if (object.contains("kinf_A"))
+      {
+        parameters.kinf_A_ = object["kinf_A"].get<double>();
+      }
+      if (object.contains("kinf_B"))
+      {
+        parameters.kinf_B_ = object["kinf_B"].get<double>();
+      }
+      if (object.contains("kinf_C"))
+      {
+        parameters.kinf_C_ = object["kinf_C"].get<double>();
+      }
+      if (object.contains("Fc"))
+      {
+        parameters.Fc_ = object["Fc"].get<double>();
+      }
+      if (object.contains("N"))
+      {
+        parameters.N_ = object["N"].get<double>();
+      }
+
+      ternary_rate_arr_.push_back(TernaryChemicalActivationRateConstant(parameters));
+
+      std::unique_ptr<TernaryChemicalActivationRateConstant> rate_ptr =
+          std::make_unique<TernaryChemicalActivationRateConstant>(parameters);
+
+      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+
+      return ConfigParseStatus::Success;
+    }
+
+    ConfigParseStatus ParseTunneling(const json& object)
+    {
+      const std::string REACTANTS = "reactants";
+      const std::string PRODUCTS = "products";
+
+      // Check required json objects exist
+      for (const auto& key : { REACTANTS, PRODUCTS })
+      {
+        if (!ValidateJsonWithKey(object, key))
+          return ConfigParseStatus::RequiredKeyNotFound;
+      }
+
+      auto reactants = ParseReactants(object[REACTANTS]);
+      auto products = ParseProducts(object[PRODUCTS]);
+
+      TunnelingRateConstantParameters parameters;
+      if (object.contains("A"))
+      {
+        parameters.A_ = object["A"].get<double>();
+      }
+      if (object.contains("B"))
+      {
+        parameters.B_ = object["B"].get<double>();
+      }
+      if (object.contains("C"))
+      {
+        parameters.C_ = object["C"].get<double>();
+      }
+
+      tunneling_rate_arr_.push_back(TunnelingRateConstant(parameters));
+
+      std::unique_ptr<TunnelingRateConstant> rate_ptr = std::make_unique<TunnelingRateConstant>(parameters);
+
+      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+
+      return ConfigParseStatus::Success;
+    }
+
+    ConfigParseStatus ParseEmission(const json& object)
+    {
+      const std::string SPECIES = "species";
+      const std::string MUSICA_NAME = "MUSICA name";
+      for (const auto& key : { SPECIES, MUSICA_NAME })
+      {
+        if (!ValidateJsonWithKey(object, key))
+          return ConfigParseStatus::RequiredKeyNotFound;
+      }
+
+      std::string species = object["species"].get<std::string>();
+      json reactants_object{};
+      json products_object{};
+      products_object[species] = { { "YIELD", 1.0 } };
+      auto reactants = ParseReactants(reactants_object);
+      auto products = ParseProducts(products_object);
+
+      std::string name = "EMIS." + object[MUSICA_NAME].get<std::string>();
+
+      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
+
+      std::unique_ptr<UserDefinedRateConstant> rate_ptr =
+          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
+      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+
+      return ConfigParseStatus::Success;
+    }
+
+    ConfigParseStatus ParseFirstOrderLoss(const json& object)
+    {
+      const std::string SPECIES = "species";
+      const std::string MUSICA_NAME = "MUSICA name";
+      for (const auto& key : { SPECIES, MUSICA_NAME })
+      {
+        if (!ValidateJsonWithKey(object, key))
+          return ConfigParseStatus::RequiredKeyNotFound;
+      }
+
+      std::string species = object["species"].get<std::string>();
+      json reactants_object{};
+      json products_object{};
+      reactants_object[species] = { {} };
+      auto reactants = ParseReactants(reactants_object);
+      auto products = ParseProducts(products_object);
+
+      std::string name = "LOSS." + object[MUSICA_NAME].get<std::string>();
+
+      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
+
+      std::unique_ptr<UserDefinedRateConstant> rate_ptr =
+          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
+      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+
+      return ConfigParseStatus::Success;
+    }
+
+    ConfigParseStatus ParseSurface(const json& object)
+    {
+      const std::string REACTANTS = "gas-phase reactant";
+      const std::string PRODUCTS = "gas-phase products";
+      const std::string MUSICA_NAME = "MUSICA name";
+      const std::string PROBABILITY = "reaction probability";
+      for (const auto& key : { REACTANTS, PRODUCTS, MUSICA_NAME })
+      {
+        if (!ValidateJsonWithKey(object, key))
+          return ConfigParseStatus::RequiredKeyNotFound;
+      }
+
+      std::string species_name = object[REACTANTS].get<std::string>();
+      json reactants_object{};
+      reactants_object[species_name] = { {} };
+      auto reactants = ParseReactants(reactants_object);
+      auto products = ParseProducts(object[PRODUCTS]);
+
+      Species reactant_species = Species("");
+      for (auto& species : species_arr_)
+      {
+        if (species.name_ == species_name)
+        {
+          reactant_species = species;
+          break;
+        }
+      }
+      SurfaceRateConstantParameters parameters{ .label_ = "SURF." + object[MUSICA_NAME].get<std::string>(),
+                                                .species_ = reactant_species };
+
+      if (object.contains(PROBABILITY))
+      {
+        parameters.reaction_probability_ = object[PROBABILITY].get<double>();
+      }
+
+      surface_rate_arr_.push_back(SurfaceRateConstant(parameters));
+
+      std::unique_ptr<SurfaceRateConstant> rate_ptr = std::make_unique<SurfaceRateConstant>(parameters);
+      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+
+      return ConfigParseStatus::Success;
+    }
+  };
+
+  /// @brief Public interface to read and parse config
+  template<class ConfigTypePolicy = JsonReaderPolicy>
+  class SolverConfig : public ConfigTypePolicy
+  {
+   private:
+    ConfigParseStatus last_parse_status_ = ConfigParseStatus::None;
+
+   public:
+    /// @brief Reads and parses configures
+    /// @param config_dir A path to a configuration file
+    /// @return an enum indicating the success or failure of the parse
+    [[nodiscard]] ConfigParseStatus ReadAndParse(const std::filesystem::path& config_dir)
+    {
+      last_parse_status_ = this->Parse(config_dir);
+      return last_parse_status_;
+    }
+
+    /// @brief Creates and returns SolverParameters
+    /// @return SolverParameters that contains 'System' and a collection of 'Process'
+    SolverParameters GetSolverParams()
+    {
+      if (last_parse_status_ != ConfigParseStatus::Success)
+      {
+        std::string msg = "Parsing configuration files failed. The parsing failed with error: " +
+                          configParseStatusToString(last_parse_status_);
+        throw std::runtime_error(msg);
+      }
+
+      return SolverParameters(
+          std::move(System(std::move(this->gas_phase_), std::move(this->phases_))), std::move(this->processes_));
+    }
+  };
+
+}  // namespace micm

From 79a3e42e3dac40dd66a42aa57441d2ba49d8c069 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Tue, 10 Oct 2023 11:12:08 -0600
Subject: [PATCH 095/318] New file camp_config.hpp.

---
 .../configure/{species_mechanism_config.hpp => camp_config.hpp}   | 0
 1 file changed, 0 insertions(+), 0 deletions(-)
 rename include/micm/configure/{species_mechanism_config.hpp => camp_config.hpp} (100%)

diff --git a/include/micm/configure/species_mechanism_config.hpp b/include/micm/configure/camp_config.hpp
similarity index 100%
rename from include/micm/configure/species_mechanism_config.hpp
rename to include/micm/configure/camp_config.hpp

From d1ccdf75fe16811717ab042040c5b8ad3a03aa12 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Tue, 10 Oct 2023 12:17:11 -0600
Subject: [PATCH 096/318] Start on test_camp_config.

---
 test/unit/configure/CMakeLists.txt       |  3 ++-
 test/unit/configure/test_camp_config.cpp | 10 ++++++++++
 2 files changed, 12 insertions(+), 1 deletion(-)
 create mode 100644 test/unit/configure/test_camp_config.cpp

diff --git a/test/unit/configure/CMakeLists.txt b/test/unit/configure/CMakeLists.txt
index a76f870af..d8a571056 100644
--- a/test/unit/configure/CMakeLists.txt
+++ b/test/unit/configure/CMakeLists.txt
@@ -7,8 +7,9 @@ include(test_util)
 # Tests
 
 create_standard_test(NAME solver_config SOURCES test_solver_config.cpp)
+create_standard_test(NAME camp_config SOURCES test_camp_config.cpp)
 
 ################################################################################
 # Tests
 
-add_subdirectory(process)
\ No newline at end of file
+add_subdirectory(process)
diff --git a/test/unit/configure/test_camp_config.cpp b/test/unit/configure/test_camp_config.cpp
new file mode 100644
index 000000000..883cd1cf3
--- /dev/null
+++ b/test/unit/configure/test_camp_config.cpp
@@ -0,0 +1,10 @@
+#include <gtest/gtest.h>
+
+#include <micm/configure/camp_config.hpp>
+
+TEST(SolverConfig, DetectsInvalidConfigFile)
+{
+  micm::SolverConfig solverConfig{};
+  auto status = solverConfig.ReadAndParse("not_a_config_file_directory");
+  EXPECT_EQ(micm::ConfigParseStatus::InvalidSpeciesFilePath, status);
+}

From b90bb758bd74d3eb7869251df8810e3334cd89df Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Tue, 10 Oct 2023 12:40:54 -0600
Subject: [PATCH 097/318] Start on camp_config.hpp.

---
 include/micm/configure/camp_config.hpp   | 746 +----------------------
 test/unit/configure/test_camp_config.cpp |   6 +-
 2 files changed, 5 insertions(+), 747 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index ea004b40e..ebfc8daff 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -8,20 +8,12 @@
 #include <filesystem>
 #include <fstream>
 #include <iostream>
-#include <micm/process/arrhenius_rate_constant.hpp>
-#include <micm/process/branched_rate_constant.hpp>
+#include <nlohmann/json.hpp>
 #include <micm/process/process.hpp>
-#include <micm/process/surface_rate_constant.hpp>
-#include <micm/process/ternary_chemical_activation_rate_constant.hpp>
-#include <micm/process/troe_rate_constant.hpp>
-#include <micm/process/tunneling_rate_constant.hpp>
-#include <micm/process/user_defined_rate_constant.hpp>
+#include <micm/system/system.hpp>
 #include <micm/system/phase.hpp>
 #include <micm/system/species.hpp>
-#include <micm/system/system.hpp>
 #include <micm/util/constants.hpp>
-#include <nlohmann/json.hpp>
-#include <variant>
 
 namespace micm
 {
@@ -81,738 +73,4 @@ namespace micm
     {
     }
   };
-
-  // JSON Configure paser
-  class JsonReaderPolicy
-  {
-    using json = nlohmann::json;
-
-   public:
-    // Read from species configure
-    std::vector<Species> species_arr_;
-
-    // Read from reaction configure
-    std::vector<UserDefinedRateConstant> user_defined_rate_arr_;
-    std::vector<ArrheniusRateConstant> arrhenius_rate_arr_;
-    std::vector<BranchedRateConstant> branched_rate_arr_;
-    std::vector<SurfaceRateConstant> surface_rate_arr_;
-    std::vector<TroeRateConstant> troe_rate_arr_;
-    std::vector<TernaryChemicalActivationRateConstant> ternary_rate_arr_;
-    std::vector<TunnelingRateConstant> tunneling_rate_arr_;
-
-    // Specific for solver parameters
-    Phase gas_phase_;
-    std::unordered_map<std::string, Phase> phases_;
-    std::vector<Process> processes_;
-
-    // Constants
-    // Configure files
-    static const inline std::string CAMP_CONFIG = "config.json";
-    static const inline std::string SPECIES_CONFIG = "species.json";
-    static const inline std::string MECHANISM_CONFIG = "mechanism.json";
-    static const inline std::string REACTIONS_CONFIG = "reactions.json";
-    static const inline std::string TOLERANCE_CONFIG = "tolerance.json";
-
-    // Common JSON
-    static const inline std::string CAMP_DATA = "camp-data";
-    static const inline std::string CAMP_FILES = "camp-files";
-    static const inline std::string TYPE = "type";
-
-    // Functions
-
-    /// @brief Parse configures
-    /// @return True for successful parsing
-    ConfigParseStatus Parse(const std::filesystem::path& config_dir)
-    {
-      // Create configure paths
-      std::filesystem::path species_config(config_dir / SPECIES_CONFIG);
-      std::filesystem::path mechanism_config(config_dir / MECHANISM_CONFIG);
-      std::filesystem::path reactions_config(config_dir / REACTIONS_CONFIG);
-      // Note tolerance_config is defined here but not used
-      std::filesystem::path tolerance_config(config_dir / TOLERANCE_CONFIG);
-
-      // Look for CAMP config file
-      std::filesystem::path camp_config(config_dir / CAMP_CONFIG);
-      if (std::filesystem::exists(camp_config))
-      {
-        json camp_data = json::parse(std::ifstream(camp_config));
-        if (!camp_data.contains(CAMP_FILES))
-          return ConfigParseStatus::CAMPFilesSectionNotFound;
-
-        std::vector<std::string> camp_files;
-        for (const auto& element : camp_data[CAMP_FILES])
-        {
-          camp_files.push_back(element.get<std::string>());
-        }
-        if (camp_files.size() != 2)
-        {
-          std::string err_msg = "CAMP file list should contain two files [species.json, mechanism.json]";
-          std::cerr << err_msg << std::endl;
-          return ConfigParseStatus::InvalidCAMPFileCount;
-        }
-        // As a temporary implementation, assume camp files are ordered
-        species_config = config_dir / camp_files[0];
-        mechanism_config = config_dir / camp_files[1];
-      }
-
-      // Current reaction configs should be either mechanism_config or reactions_config
-      std::filesystem::path cur_reactions_config;
-
-      // Check if species config exists
-      if (!std::filesystem::exists(species_config))
-      {
-        std::string err_msg = "Species configuration file at path " + species_config.string() + " does not exist\n";
-        std::cerr << err_msg << std::endl;
-        return ConfigParseStatus::InvalidSpeciesFilePath;
-      }
-
-      // Check if a reaction configure exists and decide which one
-      if (std::filesystem::exists(mechanism_config))
-      {
-        cur_reactions_config = mechanism_config;
-      }
-      else if (std::filesystem::exists(reactions_config))
-      {
-        cur_reactions_config = reactions_config;
-      }
-      else
-      {
-        std::string err_msg = "Reaction configuration file at path " + mechanism_config.string() + " or " +
-                              reactions_config.string() + " does not exist\n";
-        std::cerr << err_msg << std::endl;
-        return ConfigParseStatus::InvalidReactionsFilePath;
-      }
-
-      // Read species file to create Species and Phase that needs to be known to System and Process
-
-      auto species_status = ConfigureSpecies(species_config);
-      if (species_status != ConfigParseStatus::Success)
-        return species_status;
-
-      // Assign the parsed 'Species' to 'Phase'
-      gas_phase_ = Phase(species_arr_);
-
-      // Read reactions file
-      json reaction_data = json::parse(std::ifstream(cur_reactions_config));
-
-      if (!reaction_data.contains(CAMP_DATA))
-        return ConfigParseStatus::CAMPDataSectionNotFound;
-
-      std::vector<json> reaction_objects;
-      for (const auto& element : reaction_data[CAMP_DATA])
-      {
-        reaction_objects.push_back(element);
-      }
-
-      return ParseObjectArray(reaction_objects);
-    }
-
-   private:
-    /// @brief Create 'Species' and 'Phase'
-    /// @param path to 'Species' file
-    /// @return True at success
-    ConfigParseStatus ConfigureSpecies(const std::filesystem::path& file)
-    {
-      ConfigParseStatus status = ConfigParseStatus::None;
-      json file_data = json::parse(std::ifstream(file));
-
-      if (!file_data.contains(CAMP_DATA))
-        return ConfigParseStatus::CAMPDataSectionNotFound;
-
-      std::vector<json> objects;
-      for (const auto& element : file_data[CAMP_DATA])
-        objects.push_back(element);
-
-      for (const auto& object : objects)
-      {
-        if (!ValidateJsonWithKey(object, TYPE))
-        {
-          status = ConfigParseStatus::ObjectTypeNotFound;
-          break;
-        }
-
-        std::string type = object[TYPE].get<std::string>();
-
-        if (type == "CHEM_SPEC")
-        {
-          status = ParseChemicalSpecies(object);
-        }
-        else if (type == "RELATIVE_TOLERANCE")
-        {
-          status = ParseRelativeTolerance(object);
-        }
-
-        if (status != ConfigParseStatus::Success)
-          break;
-      }
-
-      return status;
-    }
-
-    bool ValidateJsonWithKey(const json& object, const std::string& key)
-    {
-      if (!object.contains(key))
-      {
-        std::string msg = "Key " + key + " was not found in the config file";
-        std::cerr << msg << std::endl;
-        return false;
-      }
-      return true;
-    }
-
-    ConfigParseStatus ParseObjectArray(const std::vector<json>& objects)
-    {
-      ConfigParseStatus status = ConfigParseStatus::None;
-
-      for (const auto& object : objects)
-      {
-        if (!ValidateJsonWithKey(object, TYPE))
-        {
-          status = ConfigParseStatus::ObjectTypeNotFound;
-          break;
-        }
-
-        std::string type = object[TYPE].get<std::string>();
-
-        if (type == "MECHANISM")
-        {
-          status = ParseMechanism(object);
-        }
-        else if (type == "PHOTOLYSIS")
-        {
-          status = ParsePhotolysis(object);
-        }
-        else if (type == "ARRHENIUS")
-        {
-          status = ParseArrhenius(object);
-        }
-        else if (type == "BRANCHED" || type == "WENNBERG_NO_RO2")
-        {
-          status = ParseBranched(object);
-        }
-        else if (type == "TERNARY_CHEMICAL_ACTIVATION")
-        {
-          status = ParseTernaryChemicalActivation(object);
-        }
-        else if (type == "TROE")
-        {
-          status = ParseTroe(object);
-        }
-        else if (type == "TUNNELING" || type == "WENNBERG_TUNNELING")
-        {
-          status = ParseTunneling(object);
-        }
-        else if (type == "EMISSION")
-        {
-          status = ParseEmission(object);
-        }
-        else if (type == "FIRST_ORDER_LOSS")
-        {
-          status = ParseFirstOrderLoss(object);
-        }
-        else if (type == "SURFACE")
-        {
-          status = ParseSurface(object);
-        }
-        else
-        {
-          status = ConfigParseStatus::UnknownKey;
-        }
-        if (status != ConfigParseStatus::Success)
-          break;
-      }
-
-      return status;
-    }
-
-    ConfigParseStatus ParseChemicalSpecies(const json& object)
-    {
-      // required keys
-      const std::string NAME = "name";
-
-      std::array<std::string, 1> required_keys = { NAME };
-
-      // Check if it contains the required key(s)
-      for (const auto& key : required_keys)
-      {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
-      }
-      std::string name = object[NAME].get<std::string>();
-
-      // Load remaining keys as properties
-      std::map<std::string, double> properties{};
-      for (auto& [key, value] : object.items())
-      {
-        if (value.is_number_float())
-          properties[key] = value;
-      }
-      species_arr_.push_back(Species(name, properties));
-
-      return ConfigParseStatus::Success;
-    }
-
-    ConfigParseStatus ParseRelativeTolerance(const json& object)
-    {
-      return ConfigParseStatus::Success;
-    }
-
-    ConfigParseStatus ParseMechanism(const json& object)
-    {
-      std::vector<std::string> required_keys = { "name", "reactions" };
-      for (const auto& key : required_keys)
-      {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
-      }
-      std::vector<json> objects;
-      for (const auto& element : object["reactions"])
-      {
-        objects.push_back(element);
-      }
-
-      return ParseObjectArray(objects);
-    }
-
-    std::vector<Species> ParseReactants(const json& object)
-    {
-      const std::string QTY = "qty";
-      std::vector<Species> reactants;
-      for (auto& [key, value] : object.items())
-      {
-        std::size_t qty = 1;
-        if (value.contains(QTY))
-          qty = value[QTY];
-        for (std::size_t i = 0; i < qty; ++i)
-          reactants.push_back(Species(key));
-      }
-      return reactants;
-    }
-
-    std::vector<std::pair<Species, double>> ParseProducts(const json& object)
-    {
-      const std::string YIELD = "yield";
-      constexpr double DEFAULT_YEILD = 1.0;
-      std::vector<std::pair<Species, double>> products;
-      for (auto& [key, value] : object.items())
-      {
-        if (value.contains(YIELD))
-        {
-          products.push_back(std::make_pair(Species(key), value[YIELD]));
-        }
-        else
-        {
-          products.push_back(std::make_pair(Species(key), DEFAULT_YEILD));
-        }
-      }
-      return products;
-    }
-
-    ConfigParseStatus ParsePhotolysis(const json& object)
-    {
-      const std::string REACTANTS = "reactants";
-      const std::string PRODUCTS = "products";
-      const std::string MUSICA_NAME = "MUSICA name";
-
-      for (const auto& key : { REACTANTS, PRODUCTS, MUSICA_NAME })
-      {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
-      }
-
-      auto reactants = ParseReactants(object[REACTANTS]);
-      auto products = ParseProducts(object[PRODUCTS]);
-
-      std::string name = "PHOTO." + object[MUSICA_NAME].get<std::string>();
-
-      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
-
-      std::unique_ptr<UserDefinedRateConstant> rate_ptr =
-          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
-      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
-
-      return ConfigParseStatus::Success;
-    }
-
-    ConfigParseStatus ParseArrhenius(const json& object)
-    {
-      const std::string REACTANTS = "reactants";
-      const std::string PRODUCTS = "products";
-
-      // Check required json objects exist
-      for (const auto& key : { REACTANTS, PRODUCTS })
-      {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
-      }
-
-      auto reactants = ParseReactants(object[REACTANTS]);
-      auto products = ParseProducts(object[PRODUCTS]);
-
-      ArrheniusRateConstantParameters parameters;
-      if (object.contains("A"))
-      {
-        parameters.A_ = object["A"].get<double>();
-      }
-      if (object.contains("B"))
-      {
-        parameters.B_ = object["B"].get<double>();
-      }
-      if (object.contains("C"))
-      {
-        parameters.C_ = object["C"].get<double>();
-      }
-      if (object.contains("D"))
-      {
-        parameters.D_ = object["D"].get<double>();
-      }
-      if (object.contains("E"))
-      {
-        parameters.E_ = object["E"].get<double>();
-      }
-      if (object.contains("Ea"))
-      {
-        // Calculate 'C' using 'Ea'
-        parameters.C_ = -1 * object["Ea"].get<double>() / BOLTZMANN_CONSTANT;
-      }
-
-      arrhenius_rate_arr_.push_back(ArrheniusRateConstant(parameters));
-
-      std::unique_ptr<ArrheniusRateConstant> rate_ptr = std::make_unique<ArrheniusRateConstant>(parameters);
-
-      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
-
-      return ConfigParseStatus::Success;
-    }
-
-    ConfigParseStatus ParseBranched(const json& object)
-    {
-      const std::string REACTANTS = "reactants";
-      const std::string ALKOXY_PRODUCTS = "alkoxy products";
-      const std::string NITRATE_PRODUCTS = "nitrate products";
-      const std::string X = "X";
-      const std::string Y = "Y";
-      const std::string A0 = "a0";
-      const std::string N = "n";
-
-      // Check required json objects exist
-      for (const auto& key : { REACTANTS, ALKOXY_PRODUCTS, NITRATE_PRODUCTS, X, Y, A0, N })
-      {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
-      }
-
-      auto reactants = ParseReactants(object[REACTANTS]);
-      auto alkoxy_products = ParseProducts(object[ALKOXY_PRODUCTS]);
-      auto nitrate_products = ParseProducts(object[NITRATE_PRODUCTS]);
-
-      BranchedRateConstantParameters parameters;
-      parameters.X_ = object[X].get<double>();
-      parameters.Y_ = object[Y].get<double>();
-      parameters.a0_ = object[A0].get<double>();
-      parameters.n_ = object[N].get<int>();
-
-      // Alkoxy branch
-      parameters.branch_ = BranchedRateConstantParameters::Branch::Alkoxy;
-      branched_rate_arr_.push_back(BranchedRateConstant(parameters));
-      std::unique_ptr<BranchedRateConstant> rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
-      processes_.push_back(Process(reactants, alkoxy_products, std::move(rate_ptr), gas_phase_));
-
-      // Nitrate branch
-      parameters.branch_ = BranchedRateConstantParameters::Branch::Nitrate;
-      branched_rate_arr_.push_back(BranchedRateConstant(parameters));
-      rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
-      processes_.push_back(Process(reactants, nitrate_products, std::move(rate_ptr), gas_phase_));
-
-      return ConfigParseStatus::Success;
-    }
-
-    ConfigParseStatus ParseTroe(const json& object)
-    {
-      const std::string REACTANTS = "reactants";
-      const std::string PRODUCTS = "products";
-
-      // Check required json objects exist
-      for (const auto& key : { REACTANTS, PRODUCTS })
-      {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
-      }
-
-      auto reactants = ParseReactants(object[REACTANTS]);
-      auto products = ParseProducts(object[PRODUCTS]);
-
-      TroeRateConstantParameters parameters;
-      if (object.contains("k0_A"))
-      {
-        parameters.k0_A_ = object["k0_A"].get<double>();
-      }
-      if (object.contains("k0_B"))
-      {
-        parameters.k0_B_ = object["k0_B"].get<double>();
-      }
-      if (object.contains("k0_C"))
-      {
-        parameters.k0_C_ = object["k0_C"].get<double>();
-      }
-      if (object.contains("kinf_A"))
-      {
-        parameters.kinf_A_ = object["kinf_A"].get<double>();
-      }
-      if (object.contains("kinf_B"))
-      {
-        parameters.kinf_B_ = object["kinf_B"].get<double>();
-      }
-      if (object.contains("kinf_C"))
-      {
-        parameters.kinf_C_ = object["kinf_C"].get<double>();
-      }
-      if (object.contains("Fc"))
-      {
-        parameters.Fc_ = object["Fc"].get<double>();
-      }
-      if (object.contains("N"))
-      {
-        parameters.N_ = object["N"].get<double>();
-      }
-
-      troe_rate_arr_.push_back(TroeRateConstant(parameters));
-
-      std::unique_ptr<TroeRateConstant> rate_ptr = std::make_unique<TroeRateConstant>(parameters);
-
-      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
-
-      return ConfigParseStatus::Success;
-    }
-
-    ConfigParseStatus ParseTernaryChemicalActivation(const json& object)
-    {
-      const std::string REACTANTS = "reactants";
-      const std::string PRODUCTS = "products";
-
-      // Check required json objects exist
-      for (const auto& key : { REACTANTS, PRODUCTS })
-      {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
-      }
-
-      auto reactants = ParseReactants(object[REACTANTS]);
-      auto products = ParseProducts(object[PRODUCTS]);
-
-      TernaryChemicalActivationRateConstantParameters parameters;
-      if (object.contains("k0_A"))
-      {
-        parameters.k0_A_ = object["k0_A"].get<double>();
-      }
-      if (object.contains("k0_B"))
-      {
-        parameters.k0_B_ = object["k0_B"].get<double>();
-      }
-      if (object.contains("k0_C"))
-      {
-        parameters.k0_C_ = object["k0_C"].get<double>();
-      }
-      if (object.contains("kinf_A"))
-      {
-        parameters.kinf_A_ = object["kinf_A"].get<double>();
-      }
-      if (object.contains("kinf_B"))
-      {
-        parameters.kinf_B_ = object["kinf_B"].get<double>();
-      }
-      if (object.contains("kinf_C"))
-      {
-        parameters.kinf_C_ = object["kinf_C"].get<double>();
-      }
-      if (object.contains("Fc"))
-      {
-        parameters.Fc_ = object["Fc"].get<double>();
-      }
-      if (object.contains("N"))
-      {
-        parameters.N_ = object["N"].get<double>();
-      }
-
-      ternary_rate_arr_.push_back(TernaryChemicalActivationRateConstant(parameters));
-
-      std::unique_ptr<TernaryChemicalActivationRateConstant> rate_ptr =
-          std::make_unique<TernaryChemicalActivationRateConstant>(parameters);
-
-      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
-
-      return ConfigParseStatus::Success;
-    }
-
-    ConfigParseStatus ParseTunneling(const json& object)
-    {
-      const std::string REACTANTS = "reactants";
-      const std::string PRODUCTS = "products";
-
-      // Check required json objects exist
-      for (const auto& key : { REACTANTS, PRODUCTS })
-      {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
-      }
-
-      auto reactants = ParseReactants(object[REACTANTS]);
-      auto products = ParseProducts(object[PRODUCTS]);
-
-      TunnelingRateConstantParameters parameters;
-      if (object.contains("A"))
-      {
-        parameters.A_ = object["A"].get<double>();
-      }
-      if (object.contains("B"))
-      {
-        parameters.B_ = object["B"].get<double>();
-      }
-      if (object.contains("C"))
-      {
-        parameters.C_ = object["C"].get<double>();
-      }
-
-      tunneling_rate_arr_.push_back(TunnelingRateConstant(parameters));
-
-      std::unique_ptr<TunnelingRateConstant> rate_ptr = std::make_unique<TunnelingRateConstant>(parameters);
-
-      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
-
-      return ConfigParseStatus::Success;
-    }
-
-    ConfigParseStatus ParseEmission(const json& object)
-    {
-      const std::string SPECIES = "species";
-      const std::string MUSICA_NAME = "MUSICA name";
-      for (const auto& key : { SPECIES, MUSICA_NAME })
-      {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
-      }
-
-      std::string species = object["species"].get<std::string>();
-      json reactants_object{};
-      json products_object{};
-      products_object[species] = { { "YIELD", 1.0 } };
-      auto reactants = ParseReactants(reactants_object);
-      auto products = ParseProducts(products_object);
-
-      std::string name = "EMIS." + object[MUSICA_NAME].get<std::string>();
-
-      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
-
-      std::unique_ptr<UserDefinedRateConstant> rate_ptr =
-          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
-      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
-
-      return ConfigParseStatus::Success;
-    }
-
-    ConfigParseStatus ParseFirstOrderLoss(const json& object)
-    {
-      const std::string SPECIES = "species";
-      const std::string MUSICA_NAME = "MUSICA name";
-      for (const auto& key : { SPECIES, MUSICA_NAME })
-      {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
-      }
-
-      std::string species = object["species"].get<std::string>();
-      json reactants_object{};
-      json products_object{};
-      reactants_object[species] = { {} };
-      auto reactants = ParseReactants(reactants_object);
-      auto products = ParseProducts(products_object);
-
-      std::string name = "LOSS." + object[MUSICA_NAME].get<std::string>();
-
-      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
-
-      std::unique_ptr<UserDefinedRateConstant> rate_ptr =
-          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
-      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
-
-      return ConfigParseStatus::Success;
-    }
-
-    ConfigParseStatus ParseSurface(const json& object)
-    {
-      const std::string REACTANTS = "gas-phase reactant";
-      const std::string PRODUCTS = "gas-phase products";
-      const std::string MUSICA_NAME = "MUSICA name";
-      const std::string PROBABILITY = "reaction probability";
-      for (const auto& key : { REACTANTS, PRODUCTS, MUSICA_NAME })
-      {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
-      }
-
-      std::string species_name = object[REACTANTS].get<std::string>();
-      json reactants_object{};
-      reactants_object[species_name] = { {} };
-      auto reactants = ParseReactants(reactants_object);
-      auto products = ParseProducts(object[PRODUCTS]);
-
-      Species reactant_species = Species("");
-      for (auto& species : species_arr_)
-      {
-        if (species.name_ == species_name)
-        {
-          reactant_species = species;
-          break;
-        }
-      }
-      SurfaceRateConstantParameters parameters{ .label_ = "SURF." + object[MUSICA_NAME].get<std::string>(),
-                                                .species_ = reactant_species };
-
-      if (object.contains(PROBABILITY))
-      {
-        parameters.reaction_probability_ = object[PROBABILITY].get<double>();
-      }
-
-      surface_rate_arr_.push_back(SurfaceRateConstant(parameters));
-
-      std::unique_ptr<SurfaceRateConstant> rate_ptr = std::make_unique<SurfaceRateConstant>(parameters);
-      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
-
-      return ConfigParseStatus::Success;
-    }
-  };
-
-  /// @brief Public interface to read and parse config
-  template<class ConfigTypePolicy = JsonReaderPolicy>
-  class SolverConfig : public ConfigTypePolicy
-  {
-   private:
-    ConfigParseStatus last_parse_status_ = ConfigParseStatus::None;
-
-   public:
-    /// @brief Reads and parses configures
-    /// @param config_dir A path to a configuration file
-    /// @return an enum indicating the success or failure of the parse
-    [[nodiscard]] ConfigParseStatus ReadAndParse(const std::filesystem::path& config_dir)
-    {
-      last_parse_status_ = this->Parse(config_dir);
-      return last_parse_status_;
-    }
-
-    /// @brief Creates and returns SolverParameters
-    /// @return SolverParameters that contains 'System' and a collection of 'Process'
-    SolverParameters GetSolverParams()
-    {
-      if (last_parse_status_ != ConfigParseStatus::Success)
-      {
-        std::string msg = "Parsing configuration files failed. The parsing failed with error: " +
-                          configParseStatusToString(last_parse_status_);
-        throw std::runtime_error(msg);
-      }
-
-      return SolverParameters(
-          std::move(System(std::move(this->gas_phase_), std::move(this->phases_))), std::move(this->processes_));
-    }
-  };
-
 }  // namespace micm
diff --git a/test/unit/configure/test_camp_config.cpp b/test/unit/configure/test_camp_config.cpp
index 883cd1cf3..60c88d4f0 100644
--- a/test/unit/configure/test_camp_config.cpp
+++ b/test/unit/configure/test_camp_config.cpp
@@ -4,7 +4,7 @@
 
 TEST(SolverConfig, DetectsInvalidConfigFile)
 {
-  micm::SolverConfig solverConfig{};
-  auto status = solverConfig.ReadAndParse("not_a_config_file_directory");
-  EXPECT_EQ(micm::ConfigParseStatus::InvalidSpeciesFilePath, status);
+  // micm::SolverConfig solverConfig{};
+  // auto status = solverConfig.ReadAndParse("not_a_config_file_directory");
+  // EXPECT_EQ(micm::ConfigParseStatus::InvalidSpeciesFilePath, status);
 }

From 688fdaeff047e1710329bc7e8b746aa6e497fbfd Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 10 Oct 2023 16:50:19 -0500
Subject: [PATCH 098/318] 292 add a docker image publish (#294)

* trying to publish an image

* trying to build exactly one dockerfile for publish

* newer build and push

* maybe now

* removing unused package

* trying to do a multiplatform build

* just arm and amd then?

* merging main

* trying only arm64

* adding qemu to try to use more platforms

* just publishing one package

* publishing only on release
---
 .github/workflows/publish-package.yml | 50 +++++++++++++++++++++++++++
 docker/Dockerfile.publish             | 27 +++++++++++++++
 2 files changed, 77 insertions(+)
 create mode 100644 .github/workflows/publish-package.yml
 create mode 100644 docker/Dockerfile.publish

diff --git a/.github/workflows/publish-package.yml b/.github/workflows/publish-package.yml
new file mode 100644
index 000000000..af6e219fe
--- /dev/null
+++ b/.github/workflows/publish-package.yml
@@ -0,0 +1,50 @@
+name: Create and publish a Docker image
+
+on:
+  push:
+    branches: ['release']
+    tags:
+      - '*'
+
+env:
+  REGISTRY: ghcr.io
+  IMAGE_NAME: ${{ github.repository }}
+
+jobs:
+  build-and-push-image:
+    runs-on: ubuntu-latest
+    permissions:
+      contents: read
+      packages: write
+
+    steps:
+      - name: Checkout repository
+        uses: actions/checkout@v3
+        with:
+          submodules: recursive
+
+      - name: Login to Container Registry
+        uses: docker/login-action@v2
+        with:
+          registry: ${{ env.REGISTRY }}
+          username: ${{ github.actor }}
+          password: ${{ secrets.GITHUB_TOKEN }}
+
+      - name: Extract metadata (tags, labels) for Docker
+        id: meta
+        uses: docker/metadata-action@98669ae865ea3cffbcbaa878cf57c20bbf1c6c38
+        with:
+          images: ${{ env.REGISTRY }}/${{ env.IMAGE_NAME }}
+      
+      - name: Set up Docker Buildx
+        uses: docker/setup-buildx-action@v2
+
+      - name: Build and push Docker image
+        uses: docker/build-push-action@v5
+        with:
+          context: .
+          platforms: linux/amd64
+          file: docker/Dockerfile.publish
+          push: true
+          tags: ${{ steps.meta.outputs.tags }}
+          labels: ${{ steps.meta.outputs.labels }}
\ No newline at end of file
diff --git a/docker/Dockerfile.publish b/docker/Dockerfile.publish
new file mode 100644
index 000000000..1edf539f0
--- /dev/null
+++ b/docker/Dockerfile.publish
@@ -0,0 +1,27 @@
+FROM fedora:37
+
+RUN dnf -y update \
+    && dnf -y install \
+        cmake \
+        gcc-c++ \
+        gdb \
+        git \
+        make \
+        zlib-devel \
+        llvm-devel \
+    && dnf clean all
+
+# copy the MICM code
+COPY . /micm/
+
+# build the library and run the tests
+RUN mkdir /build \
+      && cd /build \
+      && cmake \
+        -D CMAKE_BUILD_TYPE=release \
+        -D ENABLE_LLVM:BOOL=TRUE \
+        -D ENABLE_JSON:BOOL=TRUE \
+        ../micm \
+      && make install -j 8
+
+WORKDIR /build
\ No newline at end of file

From a87f1b78f6e1b604df4c9cb73faf5ace7f8fffbb Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Tue, 10 Oct 2023 16:06:14 -0600
Subject: [PATCH 099/318] Save.

---
 include/micm/configure/camp_config.hpp | 15 +++++++--------
 1 file changed, 7 insertions(+), 8 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index ebfc8daff..9c3007b0f 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -21,14 +21,11 @@ namespace micm
   {
     Success,
     None,
-    InvalidSpeciesFilePath,
-    InvalidReactionsFilePath,
     InvalidKey,
     UnknownKey,
-    InvalidSpecies,
     CAMPFilesSectionNotFound,
-    InvalidCAMPFileCount,
     CAMPDataSectionNotFound,
+    InvalidSpecies,
     InvalidMechanism,
     ObjectTypeNotFound,
     RequiredKeyNotFound
@@ -40,14 +37,11 @@ namespace micm
     {
       case ConfigParseStatus::Success: return "Success";
       case ConfigParseStatus::None: return "None";
-      case ConfigParseStatus::InvalidSpeciesFilePath: return "InvalidSpeciesFilePath";
-      case ConfigParseStatus::InvalidReactionsFilePath: return "InvalidReactionsFilePath";
       case ConfigParseStatus::InvalidKey: return "InvalidKey";
       case ConfigParseStatus::UnknownKey: return "UnknownKey";
-      case ConfigParseStatus::InvalidSpecies: return "InvalidSpecies";
       case ConfigParseStatus::CAMPFilesSectionNotFound: return "CAMPFilesSectionNotFound";
-      case ConfigParseStatus::InvalidCAMPFileCount: return "InvalidCAMPFileCount";
       case ConfigParseStatus::CAMPDataSectionNotFound: return "CAMPDataSectionNotFound";
+      case ConfigParseStatus::InvalidSpecies: return "InvalidSpecies";
       case ConfigParseStatus::InvalidMechanism: return "InvalidMechanism";
       case ConfigParseStatus::ObjectTypeNotFound: return "ObjectTypeNotFound";
       case ConfigParseStatus::RequiredKeyNotFound: return "RequiredKeyNotFound";
@@ -73,4 +67,9 @@ namespace micm
     {
     }
   };
+
+  class JsonReaderPolicy
+  {
+    using json = nlohmann::json;
+  };
 }  // namespace micm

From b159f663c0564efc790ad7d37348f96fe23aaa80 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 11 Oct 2023 10:31:00 -0500
Subject: [PATCH 100/318] adding icon to readme and favicon to docs

---
 README.md                                     |   4 +
 docs/README.md                                |   1 +
 .../favicon/android-chrome-192x192.png        | Bin 0 -> 12118 bytes
 .../favicon/android-chrome-512x512.png        | Bin 0 -> 34095 bytes
 .../_static/favicon/apple-touch-icon.png      | Bin 0 -> 11311 bytes
 docs/source/_static/favicon/browserconfig.xml |   9 +
 docs/source/_static/favicon/favicon-16x16.png | Bin 0 -> 1186 bytes
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 docs/source/conf.py                           |   4 +-
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diff --git a/README.md b/README.md
index ba1895a51..8bb209990 100644
--- a/README.md
+++ b/README.md
@@ -10,6 +10,10 @@ Model Independent Chemical Module. MICM can be used to configure and solve atmos
 
 Copyright (C) 2018-2023 National Center for Atmospheric Research
 
+<p align="center">
+  <img style="border-radius: 100%" src="docs/source/_static/micm.png">
+</p>
+
 # Getting Started
 
 ## Installing MICM locally
diff --git a/docs/README.md b/docs/README.md
new file mode 100644
index 000000000..2affd9078
--- /dev/null
+++ b/docs/README.md
@@ -0,0 +1 @@
+Facvicons generated at [realfavicongenerator.net](https://realfavicongenerator.net/)
\ No newline at end of file
diff --git a/docs/source/_static/favicon/android-chrome-192x192.png b/docs/source/_static/favicon/android-chrome-192x192.png
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new file mode 100644
index 000000000..b3930d0f0
--- /dev/null
+++ b/docs/source/_static/favicon/browserconfig.xml
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+    "name": "",
+    "short_name": "",
+    "icons": [
+        {
+            "src": "/android-chrome-192x192.png",
+            "sizes": "192x192",
+            "type": "image/png"
+        },
+        {
+            "src": "/android-chrome-512x512.png",
+            "sizes": "512x512",
+            "type": "image/png"
+        }
+    ],
+    "theme_color": "#ffffff",
+    "background_color": "#ffffff",
+    "display": "standalone"
+}
diff --git a/docs/source/_static/micm.png b/docs/source/_static/micm.png
new file mode 100644
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diff --git a/docs/source/conf.py b/docs/source/conf.py
index 5c753c8c5..15a34ab77 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -75,4 +75,6 @@
 # Add any paths that contain custom static files (such as style sheets) here,
 # relative to this directory. They are copied after the builtin static files,
 # so a file named "default.css" will overwrite the builtin "default.css".
-html_static_path = ['_static']
\ No newline at end of file
+html_static_path = ['_static']
+
+html_favicon = '_static/favicon/favicon.ico'
\ No newline at end of file

From 0996e5848b097e77ccbb2819f22c49844154f3e3 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Wed, 11 Oct 2023 09:53:37 -0700
Subject: [PATCH 101/318] Fix set concentrations mapping error (#297)

* update set concentrations logic

* remove system arg from set concentrations function
---
 include/micm/solver/state.hpp                 |  1 -
 include/micm/solver/state.inl                 | 63 +++----------------
 test/integration/chapman.cpp                  |  2 +-
 ..._constants_no_user_defined_with_config.cpp |  2 +-
 ...ate_constants_user_defined_with_config.cpp |  2 +-
 test/unit/solver/test_state.cpp               | 14 +----
 6 files changed, 14 insertions(+), 70 deletions(-)

diff --git a/include/micm/solver/state.hpp b/include/micm/solver/state.hpp
index a2a3b1dee..da59c2fa0 100644
--- a/include/micm/solver/state.hpp
+++ b/include/micm/solver/state.hpp
@@ -49,7 +49,6 @@ namespace micm
     /// @brief Set species' concentrations
     /// @param species_to_concentration
     void SetConcentrations(
-        const System& system,
         const std::unordered_map<std::string, std::vector<double>>& species_to_concentration);
 
     /// @brief Set a single species concentration
diff --git a/include/micm/solver/state.inl b/include/micm/solver/state.inl
index a9e85b02d..dbd2c2321 100644
--- a/include/micm/solver/state.inl
+++ b/include/micm/solver/state.inl
@@ -51,67 +51,19 @@ namespace micm
 
   template<template<class> class MatrixPolicy>
   inline void State<MatrixPolicy>::SetConcentrations(
-      const System& system,
       const std::unordered_map<std::string, std::vector<double>>& species_to_concentration)
   {
-    int num_set_grid_cells = 0;
-    unsigned num_species = system.gas_phase_.species_.size();
-
-    std::vector<int> num_concentrations_per_species;
-    num_concentrations_per_species.reserve(num_species);
-
-    // Iterate map to store the number of concentration values corresponding to the number of set of grid cells
-    for (auto& species : system.gas_phase_.species_)
-    {
-      auto species_ptr = species_to_concentration.find(species.name_);
-      if (species_ptr == species_to_concentration.end())
-      {
-        throw std::runtime_error("Concentration value(s) for '" + species.name_ + "' must be given.");
-      }
-      num_concentrations_per_species.push_back(species_ptr->second.size());
-    }
-
-    // Check if number of concentraiton inputs are the same for all species
-    if (!std::all_of(
-            num_concentrations_per_species.begin(),
-            num_concentrations_per_species.end(),
-            [&](int& i) { return i == num_concentrations_per_species.front(); }))
-    {
-      throw std::runtime_error("Concentration value must be given to all sets of grid cells.");
-    }
-
-    num_set_grid_cells = num_concentrations_per_species[0];
-
-    // Find species and iterate through the keys to store concentrations for each set of grid cells
-    // 'concentrations' represents an N-D array in contiguous memory (N = num_set_grid_cells)
-    std::vector<double> concentrations;
-    concentrations.resize(num_species * num_set_grid_cells);
-
-    for (int i = 0; i < num_species; i++)
-    {
-      auto species_ptr = species_to_concentration.find(system.gas_phase_.species_[i].name_);
-
-      for (int j = 0; j < num_set_grid_cells; j++)
-      {
-        concentrations[i + num_species * j] = species_ptr->second[j];
-      }
-    }
-
-    // Extract sub vector to assign to the corresponding set of grid cells.
-    std::vector<double> sub_concentrations;
-    sub_concentrations.reserve(num_species);
-
-    for (int i = 0; i < num_set_grid_cells; i++)
-    {
-      sub_concentrations = { concentrations.begin() + (num_species * i),
-                             concentrations.begin() + (num_species * i) + num_species };
-      variables_[i] = sub_concentrations;
-    }
+    const int num_grid_cells = conditions_.size();
+    for (const auto& pair : species_to_concentration)
+      SetConcentration({ pair.first }, pair.second);
   }
 
   template<template<class> class MatrixPolicy>
   inline void State<MatrixPolicy>::SetConcentration(const Species& species, double concentration)
   {
+    auto var = variable_map_.find(species.name_);
+    if (var == variable_map_.end())
+      throw std::invalid_argument("Unknown variable '" + species.name_ + "'");
     if (variables_.size() != 1)
       throw std::invalid_argument("Incorrect number of concentration values passed to multi-gridcell State");
     variables_[0][variable_map_[species.name_]] = concentration;
@@ -120,6 +72,9 @@ namespace micm
   template<template<class> class MatrixPolicy>
   inline void State<MatrixPolicy>::SetConcentration(const Species& species, const std::vector<double>& concentration)
   {
+    auto var = variable_map_.find(species.name_);
+    if (var == variable_map_.end())
+      throw std::invalid_argument("Unknown variable '" + species.name_ + "'");
     if (variables_.size() != concentration.size())
       throw std::invalid_argument("Incorrect number of concentration values passed to multi-gridcell State");
     std::size_t i_species = variable_map_[species.name_];
diff --git a/test/integration/chapman.cpp b/test/integration/chapman.cpp
index f385279d6..01da9b6e7 100644
--- a/test/integration/chapman.cpp
+++ b/test/integration/chapman.cpp
@@ -46,7 +46,7 @@ TEST(ChapmanIntegration, CanBuildChapmanSystemUsingConfig)
     { "Ar", { 0.2 } }, { "N2", { 0.3 } },  { "H2O", { 0.3 } }, { "CO2", { 0.3 } }
   };
 
-  state.SetConcentrations(solver_params.system_, concentrations);
+  state.SetConcentrations(concentrations);
 
   // User gives an input of photolysis rate constants
   std::unordered_map<std::string, std::vector<double>> photo_rates = { { "PHOTO.O2_1", { 0.1 } },
diff --git a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
index ca5cc06d9..b4842c179 100644
--- a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
+++ b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
@@ -79,7 +79,7 @@ int main(const int argc, const char* argv[])
     { "G", { 0.0 } },  // mol m-3
   };
 
-  state.SetConcentrations(solver_params.system_, intial_concentration);
+  state.SetConcentrations(intial_concentration);
 
   state.SetCustomRateParameter("SURF.C surface.effective radius [m]", 1e-7);
   state.SetCustomRateParameter("SURF.C surface.particle number concentration [# m-3]", 2.5e6);
diff --git a/test/tutorial/test_rate_constants_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_user_defined_with_config.cpp
index 203242a61..2d0218ecf 100644
--- a/test/tutorial/test_rate_constants_user_defined_with_config.cpp
+++ b/test/tutorial/test_rate_constants_user_defined_with_config.cpp
@@ -87,7 +87,7 @@ int main(const int argc, const char* argv[])
     { "G", { 0.0 } },  // mol m-3
   };
 
-  state.SetConcentrations(solver_params.system_, intial_concentration);
+  state.SetConcentrations(intial_concentration);
 
   state.SetCustomRateParameter("SURF.C surface.effective radius [m]", 1e-7);
   state.SetCustomRateParameter("SURF.C surface.particle number concentration [# m-3]", 2.5e6);
diff --git a/test/unit/solver/test_state.cpp b/test/unit/solver/test_state.cpp
index 1aa586b6f..053ea1bfd 100644
--- a/test/unit/solver/test_state.cpp
+++ b/test/unit/solver/test_state.cpp
@@ -69,12 +69,7 @@ TEST(State, SettingConcentrationsWithInvalidArguementsThrowsException)
     { "FUU", { 0.1 } }, { "bar", { 0.2 } }, { "baz", { 0.3 } }, { "quz", { 0.4 } }
   };
 
-  // Build system
-  micm::Phase gas_phase(
-      std::vector<micm::Species>{ micm::Species("foo"), micm::Species("bar"), micm::Species("baz"), micm::Species("quz") });
-  micm::System system{ micm::SystemParameters{ gas_phase } };
-
-  EXPECT_ANY_THROW(state.SetConcentrations(system, concentrations));
+  EXPECT_ANY_THROW(state.SetConcentrations(concentrations));
 }
 
 TEST(State, SetConcentrations)
@@ -87,17 +82,12 @@ TEST(State, SetConcentrations)
                                                           .number_of_grid_cells_ = num_grid_cells,
                                                           .number_of_rate_constants_ = 10 } };
 
-  // Build system
-  micm::Phase gas_phase(
-      std::vector<micm::Species>{ micm::Species("foo"), micm::Species("bar"), micm::Species("baz"), micm::Species("quz") });
-  micm::System system{ micm::SystemParameters{ gas_phase } };
-
   std::unordered_map<std::string, std::vector<double>> concentrations = { { "bar", { 0.2, 0.22, 0.222 } },
                                                                           { "baz", { 0.3, 0.33, 0.333 } },
                                                                           { "foo", { 0.9, 0.99, 0.999 } },
                                                                           { "quz", { 0.4, 0.44, 0.444 } } };
 
-  state.SetConcentrations(system, concentrations);
+  state.SetConcentrations(concentrations);
 
   // Compare concentration values
   std::vector<double> concentrations_in_order{

From 6e2ad195fd73642b28b37b852e11e5b2c39ce739 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Wed, 11 Oct 2023 16:46:12 -0700
Subject: [PATCH 102/318] add parameterized species option

---
 include/micm/process/process.hpp              | 33 +++++-----
 include/micm/process/process_set.hpp          | 49 +++++++++------
 include/micm/system/phase.hpp                 | 16 +++++
 include/micm/system/species.hpp               | 21 ++++++-
 include/micm/system/system.hpp                | 16 ++---
 test/unit/process/test_process.cpp            |  9 ++-
 test/unit/process/test_process_set_policy.hpp |  6 +-
 test/unit/system/test_phase.cpp               | 22 +++++++
 test/unit/system/test_species.cpp             | 61 +++++++++++++++----
 test/unit/system/test_system.cpp              | 39 ++++++++++++
 10 files changed, 210 insertions(+), 62 deletions(-)

diff --git a/include/micm/process/process.hpp b/include/micm/process/process.hpp
index cd7aee650..786f4bda8 100644
--- a/include/micm/process/process.hpp
+++ b/include/micm/process/process.hpp
@@ -36,13 +36,11 @@ namespace micm
     /// @param processes The set of processes being solved
     /// @param state The solver state to update
     template<template<class> class MatrixPolicy>
-    requires(!VectorizableDense<MatrixPolicy<double>>) static void UpdateState(
-        const std::vector<Process>& processes,
-        State<MatrixPolicy>& state);
+      requires(!VectorizableDense<MatrixPolicy<double>>)
+    static void UpdateState(const std::vector<Process>& processes, State<MatrixPolicy>& state);
     template<template<class> class MatrixPolicy>
-    requires(VectorizableDense<MatrixPolicy<double>>) static void UpdateState(
-        const std::vector<Process>& processes,
-        State<MatrixPolicy>& state);
+      requires(VectorizableDense<MatrixPolicy<double>>)
+    static void UpdateState(const std::vector<Process>& processes, State<MatrixPolicy>& state);
 
     friend class ProcessBuilder;
     static ProcessBuilder create();
@@ -92,9 +90,8 @@ namespace micm
   };
 
   template<template<class> class MatrixPolicy>
-  requires(!VectorizableDense<MatrixPolicy<double>>) void Process::UpdateState(
-      const std::vector<Process>& processes,
-      State<MatrixPolicy>& state)
+    requires(!VectorizableDense<MatrixPolicy<double>>)
+  void Process::UpdateState(const std::vector<Process>& processes, State<MatrixPolicy>& state)
   {
     for (std::size_t i{}; i < state.custom_rate_parameters_.size(); ++i)
     {
@@ -103,17 +100,20 @@ namespace micm
       std::size_t i_rate_constant = 0;
       for (auto& process : processes)
       {
+        double fixed_reactants = 1.0;
+        for (auto& reactant : process.reactants_)
+          if (reactant.IsParameterized())
+            fixed_reactants *= reactant.parameterize_(state.conditions_[i]);
         state.rate_constants_[i][(i_rate_constant++)] =
-            process.rate_constant_->calculate(state.conditions_[i], custom_parameters_iter);
+            process.rate_constant_->calculate(state.conditions_[i], custom_parameters_iter) * fixed_reactants;
         custom_parameters_iter += process.rate_constant_->SizeCustomParameters();
       }
     }
   }
 
   template<template<class> class MatrixPolicy>
-  requires(VectorizableDense<MatrixPolicy<double>>) void Process::UpdateState(
-      const std::vector<Process>& processes,
-      State<MatrixPolicy>& state)
+    requires(VectorizableDense<MatrixPolicy<double>>)
+  void Process::UpdateState(const std::vector<Process>& processes, State<MatrixPolicy>& state)
   {
     const auto& v_custom_parameters = state.custom_rate_parameters_.AsVector();
     auto& v_rate_constants = state.rate_constants_.AsVector();
@@ -133,8 +133,13 @@ namespace micm
             params[i_param] = v_custom_parameters[offset_params + i_param * L + i_cell];
           }
           std::vector<double>::const_iterator custom_parameters_iter = params.begin();
+          double fixed_reactants = 1.0;
+          for (auto& reactant : process.reactants_)
+            if (reactant.IsParameterized())
+              fixed_reactants *= reactant.parameterize_(state.conditions_[i_group * L + i_cell]);
           v_rate_constants[offset_rc + i_cell] =
-              process.rate_constant_->calculate(state.conditions_[i_group * L + i_cell], custom_parameters_iter);
+              process.rate_constant_->calculate(state.conditions_[i_group * L + i_cell], custom_parameters_iter) *
+              fixed_reactants;
         }
         offset_params += params.size() * L;
         offset_rc += L;
diff --git a/include/micm/process/process_set.hpp b/include/micm/process/process_set.hpp
index 74e04eb64..39d1e5126 100644
--- a/include/micm/process/process_set.hpp
+++ b/include/micm/process/process_set.hpp
@@ -47,12 +47,13 @@ namespace micm
     /// @param state_variables Current state variable values (grid cell, state variable)
     /// @param forcing Forcing terms for each state variable (grid cell, state variable)
     template<template<class> typename MatrixPolicy>
-    requires(!VectorizableDense<MatrixPolicy<double>>) void AddForcingTerms(
+      requires(!VectorizableDense<MatrixPolicy<double>>)
+    void AddForcingTerms(
         const MatrixPolicy<double>& rate_constants,
         const MatrixPolicy<double>& state_variables,
         MatrixPolicy<double>& forcing) const;
     template<template<class> typename MatrixPolicy>
-    requires VectorizableDense<MatrixPolicy<double>>
+      requires VectorizableDense<MatrixPolicy<double>>
     void AddForcingTerms(
         const MatrixPolicy<double>& rate_constants,
         const MatrixPolicy<double>& state_variables,
@@ -63,12 +64,14 @@ namespace micm
     /// @param state_variables Current state variable values (grid cell, state variable)
     /// @param jacobian Jacobian matrix for the system (grid cell, dependent variable, independent variable)
     template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-    requires(!VectorizableDense<MatrixPolicy<double>> || !VectorizableSparse<SparseMatrixPolicy<double>>) void AddJacobianTerms(
+      requires(!VectorizableDense<MatrixPolicy<double>> || !VectorizableSparse<SparseMatrixPolicy<double>>)
+    void AddJacobianTerms(
         const MatrixPolicy<double>& rate_constants,
         const MatrixPolicy<double>& state_variables,
         SparseMatrixPolicy<double>& jacobian) const;
     template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-    requires(VectorizableDense<MatrixPolicy<double>>&& VectorizableSparse<SparseMatrixPolicy<double>>) void AddJacobianTerms(
+      requires(VectorizableDense<MatrixPolicy<double>> && VectorizableSparse<SparseMatrixPolicy<double>>)
+    void AddJacobianTerms(
         const MatrixPolicy<double>& rate_constants,
         const MatrixPolicy<double>& state_variables,
         SparseMatrixPolicy<double>& jacobian) const;
@@ -84,17 +87,25 @@ namespace micm
   {
     for (auto& process : processes)
     {
-      number_of_reactants_.push_back(process.reactants_.size());
-      number_of_products_.push_back(process.products_.size());
+      std::size_t number_of_reactants = 0;
+      std::size_t number_of_products = 0;
       for (auto& reactant : process.reactants_)
       {
+        if (reactant.IsParameterized())
+          continue;  // Skip reactants that are parameterizations
         reactant_ids_.push_back(state.variable_map_.at(reactant.name_));
+        ++number_of_reactants;
       }
       for (auto& product : process.products_)
       {
+        if (product.first.IsParameterized())
+          continue;  // Skip products that are parameterizations
         product_ids_.push_back(state.variable_map_.at(product.first.name_));
         yields_.push_back(product.second);
+        ++number_of_products;
       }
+      number_of_reactants_.push_back(number_of_reactants);
+      number_of_products_.push_back(number_of_products);
     }
   };
 
@@ -147,7 +158,8 @@ namespace micm
   }
 
   template<template<class> typename MatrixPolicy>
-  requires(!VectorizableDense<MatrixPolicy<double>>) inline void ProcessSet::AddForcingTerms(
+    requires(!VectorizableDense<MatrixPolicy<double>>)
+  inline void ProcessSet::AddForcingTerms(
       const MatrixPolicy<double>& rate_constants,
       const MatrixPolicy<double>& state_variables,
       MatrixPolicy<double>& forcing) const
@@ -183,7 +195,7 @@ namespace micm
   };
 
   template<template<class> typename MatrixPolicy>
-  requires VectorizableDense<MatrixPolicy<double>>
+    requires VectorizableDense<MatrixPolicy<double>>
   inline void ProcessSet::AddForcingTerms(
       const MatrixPolicy<double>& rate_constants,
       const MatrixPolicy<double>& state_variables,
@@ -224,12 +236,11 @@ namespace micm
   }
 
   template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-  requires(
-      !VectorizableDense<MatrixPolicy<double>> || !VectorizableSparse<SparseMatrixPolicy<double>>) inline void ProcessSet::
-      AddJacobianTerms(
-          const MatrixPolicy<double>& rate_constants,
-          const MatrixPolicy<double>& state_variables,
-          SparseMatrixPolicy<double>& jacobian) const
+    requires(!VectorizableDense<MatrixPolicy<double>> || !VectorizableSparse<SparseMatrixPolicy<double>>)
+  inline void ProcessSet::AddJacobianTerms(
+      const MatrixPolicy<double>& rate_constants,
+      const MatrixPolicy<double>& state_variables,
+      SparseMatrixPolicy<double>& jacobian) const
   {
     auto cell_jacobian = jacobian.AsVector().begin();
 
@@ -271,11 +282,11 @@ namespace micm
   }
 
   template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-  requires(VectorizableDense<MatrixPolicy<double>>&& VectorizableSparse<SparseMatrixPolicy<double>>) inline void ProcessSet::
-      AddJacobianTerms(
-          const MatrixPolicy<double>& rate_constants,
-          const MatrixPolicy<double>& state_variables,
-          SparseMatrixPolicy<double>& jacobian) const
+    requires(VectorizableDense<MatrixPolicy<double>> && VectorizableSparse<SparseMatrixPolicy<double>>)
+  inline void ProcessSet::AddJacobianTerms(
+      const MatrixPolicy<double>& rate_constants,
+      const MatrixPolicy<double>& state_variables,
+      SparseMatrixPolicy<double>& jacobian) const
   {
     const auto& v_rate_constants = rate_constants.AsVector();
     const auto& v_state_variables = state_variables.AsVector();
diff --git a/include/micm/system/phase.hpp b/include/micm/system/phase.hpp
index 00ee36053..3928a5c2e 100644
--- a/include/micm/system/phase.hpp
+++ b/include/micm/system/phase.hpp
@@ -49,5 +49,21 @@ namespace micm
       species_ = other.species_;
       return *this;
     }
+
+    /// @brief Returns the number of non-parameterized species
+    std::size_t StateSize() const
+    {
+      return std::count_if(species_.begin(), species_.end(), [](const Species& s) { return !s.IsParameterized(); });
+    }
+
+    /// @brief Returns a set of unique names for each non-parameterized species
+    std::vector<std::string> UniqueNames() const
+    {
+      std::vector<std::string> names{};
+      for (const auto& species : species_)
+        if (!species.IsParameterized())
+          names.push_back(species.name_);
+      return names;
+    }
   };
 }  // namespace micm
\ No newline at end of file
diff --git a/include/micm/system/species.hpp b/include/micm/system/species.hpp
index e64adcef4..912ac2de8 100644
--- a/include/micm/system/species.hpp
+++ b/include/micm/system/species.hpp
@@ -3,9 +3,12 @@
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
 
+#include <functional>
 #include <string>
 #include <vector>
 
+#include "conditions.hpp"
+
 namespace micm
 {
 
@@ -19,6 +22,12 @@ namespace micm
     /// @brief A list of properties of this species
     std::map<std::string, double> properties_;
 
+    /// @brief A function that if provided will be used to parameterize
+    ///        the concentration of this species during solving.
+    ///        Species with this function defined will be excluded from
+    ///        the solver state.
+    std::function<double(const Conditions)> parameterize_{ nullptr };
+
     /// @brief Copy assignment
     /// @param other species to copy
     Species& operator=(const Species& other);
@@ -35,6 +44,9 @@ namespace micm
     /// @param name The name of the species
     /// @param properties The properties of the species
     Species(const std::string& name, const std::map<std::string, double>& properties);
+
+    /// @brief Returns whether a species is parameterized
+    bool IsParameterized() const;
   };
 
   inline Species& Species::operator=(const Species& other)
@@ -46,13 +58,15 @@ namespace micm
 
     name_ = other.name_;
     properties_ = other.properties_;  // This performs a shallow copy
+    parameterize_ = other.parameterize_;
 
     return *this;
   }
 
   inline Species::Species(const Species& other)
       : name_(other.name_),
-        properties_(other.properties_){};
+        properties_(other.properties_),
+        parameterize_(other.parameterize_){};
 
   inline Species::Species(const std::string& name)
       : name_(name){};
@@ -61,4 +75,9 @@ namespace micm
       : name_(name),
         properties_(properties){};
 
+  inline bool Species::IsParameterized() const
+  {
+    return parameterize_ != nullptr;
+  }
+
 }  // namespace micm
diff --git a/include/micm/system/system.hpp b/include/micm/system/system.hpp
index 843345617..c0b881b0f 100644
--- a/include/micm/system/system.hpp
+++ b/include/micm/system/system.hpp
@@ -92,10 +92,10 @@ namespace micm
 
   inline size_t System::StateSize() const
   {
-    size_t state_size = gas_phase_.species_.size();
+    size_t state_size = gas_phase_.StateSize();
     for (const auto& phase : phases_)
     {
-      state_size += phase.second.species_.size();
+      state_size += phase.second.StateSize();
     }
     return state_size;
   }
@@ -108,17 +108,11 @@ namespace micm
   inline std::vector<std::string> System::UniqueNames(
       const std::function<std::string(const std::vector<std::string>& variables, const std::size_t i)> f) const
   {
-    std::vector<std::string> names{};
-    for (auto& species : gas_phase_.species_)
-    {
-      names.push_back(species.name_);
-    }
+    std::vector<std::string> names = gas_phase_.UniqueNames();
     for (auto& phase : phases_)
     {
-      for (auto& species : phase.second.species_)
-      {
-        names.push_back(phase.first + "." + species.name_);
-      }
+      for (auto& species_name : phase.second.UniqueNames())
+        names.push_back(phase.first + "." + species_name);
     }
     if (f)
     {
diff --git a/test/unit/process/test_process.cpp b/test/unit/process/test_process.cpp
index 8a1b88a45..8e29b1752 100644
--- a/test/unit/process/test_process.cpp
+++ b/test/unit/process/test_process.cpp
@@ -14,11 +14,14 @@ template<template<class> class MatrixPolicy>
 void testProcessUpdateState(const std::size_t number_of_grid_cells)
 {
   micm::Species foo("foo", { { "molecular weight [kg mol-1]", 0.025 }, { "diffusion coefficient [m2 s-1]", 2.3e2 } });
+  micm::Species bar("bar");
+  bar.parameterize_ = [](const micm::Conditions& c) { return c.air_density_ * 0.82; };
+
   micm::ArrheniusRateConstant rc1({ .A_ = 12.2, .C_ = 300.0 });
   micm::SurfaceRateConstant rc2({ .label_ = "foo_surf", .species_ = foo });
   micm::UserDefinedRateConstant rc3({ .label_ = "bar_user" });
 
-  micm::Process r1 = micm::Process::create().rate_constant(rc1);
+  micm::Process r1 = micm::Process::create().rate_constant(rc1).reactants({ foo, bar });
   micm::Process r2 = micm::Process::create().rate_constant(rc2);
   micm::Process r3 = micm::Process::create().rate_constant(rc3);
   std::vector<micm::Process> processes = { r1, r2, r3 };
@@ -39,6 +42,7 @@ void testProcessUpdateState(const std::size_t number_of_grid_cells)
   {
     state.conditions_[i_cell].temperature_ = get_double() * 285.0;
     state.conditions_[i_cell].pressure_ = get_double() * 101100.0;
+    state.conditions_[i_cell].air_density_ = get_double() * 10.0;
     params[0] = get_double() * 1.0e-8;
     params[1] = get_double() * 1.0e5;
     params[2] = get_double() * 1.0e-2;
@@ -48,7 +52,8 @@ void testProcessUpdateState(const std::size_t number_of_grid_cells)
         params[1];
     state.custom_rate_parameters_[i_cell][state.custom_rate_parameter_map_["bar_user"]] = params[2];
     std::vector<double>::const_iterator param_iter = params.begin();
-    expected_rate_constants[i_cell][0] = rc1.calculate(state.conditions_[i_cell], param_iter);
+    expected_rate_constants[i_cell][0] =
+        rc1.calculate(state.conditions_[i_cell], param_iter) * (state.conditions_[i_cell].air_density_ * 0.82);
     param_iter += rc1.SizeCustomParameters();
     expected_rate_constants[i_cell][1] = rc2.calculate(state.conditions_[i_cell], param_iter);
     param_iter += rc2.SizeCustomParameters();
diff --git a/test/unit/process/test_process_set_policy.hpp b/test/unit/process/test_process_set_policy.hpp
index 1e050b006..38cb54ed4 100644
--- a/test/unit/process/test_process_set_policy.hpp
+++ b/test/unit/process/test_process_set_policy.hpp
@@ -21,8 +21,10 @@ void testProcessSet(
   auto baz = micm::Species("baz");
   auto quz = micm::Species("quz");
   auto quuz = micm::Species("quuz");
+  auto qux = micm::Species("qux");
+  qux.parameterize_ = [](const micm::Conditions& c) { return c.air_density_ * 0.72; };
 
-  micm::Phase gas_phase{ std::vector<micm::Species>{ foo, bar, baz, quz, quuz } };
+  micm::Phase gas_phase{ std::vector<micm::Species>{ foo, bar, qux, baz, quz, quuz } };
 
   micm::State<MatrixPolicy> state{ micm::StateParameters{ .state_variable_names_{ "foo", "bar", "baz", "quz", "quuz" },
                                                           .number_of_grid_cells_ = 2,
@@ -32,7 +34,7 @@ void testProcessSet(
       micm::Process::create().reactants({ foo, baz }).products({ yields(bar, 1), yields(quuz, 2.4) }).phase(gas_phase);
 
   micm::Process r2 =
-      micm::Process::create().reactants({ bar }).products({ yields(foo, 1), yields(quz, 1.4) }).phase(gas_phase);
+      micm::Process::create().reactants({ bar, qux }).products({ yields(foo, 1), yields(quz, 1.4) }).phase(gas_phase);
 
   micm::Process r3 = micm::Process::create().reactants({ quz }).products({}).phase(gas_phase);
 
diff --git a/test/unit/system/test_phase.cpp b/test/unit/system/test_phase.cpp
index 284433129..0565af37d 100644
--- a/test/unit/system/test_phase.cpp
+++ b/test/unit/system/test_phase.cpp
@@ -8,4 +8,26 @@ TEST(Phase, ConstructorWithVector)
   micm::Phase phase(std::vector<micm::Species>({ micm::Species("species1"), micm::Species("species2") }));
 
   EXPECT_EQ(phase.species_.size(), 2);
+  EXPECT_EQ(phase.StateSize(), 2);
+
+  auto names = phase.UniqueNames();
+  EXPECT_EQ(names[0], "species1");
+  EXPECT_EQ(names[1], "species2");
+}
+
+TEST(Phase, ConstructorWithParameterizedSpecies)
+{
+  auto foo = micm::Species("foo");
+  auto bar = micm::Species("bar");
+  auto baz = micm::Species("baz");
+
+  bar.parameterize_ = [](const micm::Conditions& c) { return 42.0; };
+  micm::Phase phase(std::vector<micm::Species>({ foo, bar, baz }));
+
+  EXPECT_EQ(phase.species_.size(), 3);
+  EXPECT_EQ(phase.StateSize(), 2);
+
+  auto names = phase.UniqueNames();
+  EXPECT_EQ(names[0], "foo");
+  EXPECT_EQ(names[1], "baz");
 }
\ No newline at end of file
diff --git a/test/unit/system/test_species.cpp b/test/unit/system/test_species.cpp
index a4f4fcc51..5adff1b30 100644
--- a/test/unit/system/test_species.cpp
+++ b/test/unit/system/test_species.cpp
@@ -5,8 +5,11 @@
 TEST(Species, StringConstructor)
 {
   micm::Species species("thing");
-
   EXPECT_EQ(species.name_, "thing");
+  EXPECT_FALSE(species.IsParameterized());
+  species.parameterize_ = [](const micm::Conditions& c) { return c.temperature_ * 100.0; };
+  EXPECT_TRUE(species.IsParameterized());
+  EXPECT_EQ(species.parameterize_({ .temperature_ = 12.5 }), 12.5 * 100.0);
 }
 
 TEST(Species, StringAndVectorConstructor)
@@ -21,24 +24,56 @@ TEST(Species, StringAndVectorConstructor)
 
 TEST(Species, CopyConstructor)
 {
-  micm::Species species("thing", { { "name [units]", 1.0 }, { "name2 [units2]", 2.0 } });
+  {
+    micm::Species species("thing", { { "name [units]", 1.0 }, { "name2 [units2]", 2.0 } });
+
+    micm::Species species2(species);
+
+    EXPECT_EQ(species2.name_, "thing");
+    EXPECT_EQ(species2.properties_.size(), 2);
+    EXPECT_EQ(species2.properties_["name [units]"], 1.0);
+    EXPECT_EQ(species2.properties_["name2 [units2]"], 2.0);
+    EXPECT_FALSE(species2.IsParameterized());
+  }
+  {
+    micm::Species species("thing", { { "name [units]", 1.0 }, { "name2 [units2]", 2.0 } });
+    species.parameterize_ = [](const micm::Conditions& c) { return 15.4; };
 
-  micm::Species species2(species);
+    micm::Species species2(species);
 
-  EXPECT_EQ(species2.name_, "thing");
-  EXPECT_EQ(species2.properties_.size(), 2);
-  EXPECT_EQ(species2.properties_["name [units]"], 1.0);
-  EXPECT_EQ(species2.properties_["name2 [units2]"], 2.0);
+    EXPECT_EQ(species2.name_, "thing");
+    EXPECT_EQ(species2.properties_.size(), 2);
+    EXPECT_EQ(species2.properties_["name [units]"], 1.0);
+    EXPECT_EQ(species2.properties_["name2 [units2]"], 2.0);
+    EXPECT_TRUE(species2.IsParameterized());
+    EXPECT_EQ(species.parameterize_({}), 15.4);
+  }
 }
 
 TEST(Species, CopyAssignment)
 {
-  micm::Species species("thing", { { "name [units]", 1.0 }, { "name2 [units2]", 2.0 } });
+  {
+    micm::Species species("thing", { { "name [units]", 1.0 }, { "name2 [units2]", 2.0 } });
+
+    micm::Species species2 = species;
+
+    EXPECT_EQ(species2.name_, "thing");
+    EXPECT_EQ(species2.properties_.size(), 2);
+    EXPECT_EQ(species2.properties_["name [units]"], 1.0);
+    EXPECT_EQ(species2.properties_["name2 [units2]"], 2.0);
+    EXPECT_FALSE(species2.IsParameterized());
+  }
+  {
+    micm::Species species("thing", { { "name [units]", 1.0 }, { "name2 [units2]", 2.0 } });
+    species.parameterize_ = [](const micm::Conditions& c) { return 15.4; };
 
-  micm::Species species2 = species;
+    micm::Species species2 = species;
 
-  EXPECT_EQ(species2.name_, "thing");
-  EXPECT_EQ(species2.properties_.size(), 2);
-  EXPECT_EQ(species2.properties_["name [units]"], 1.0);
-  EXPECT_EQ(species2.properties_["name2 [units2]"], 2.0);
+    EXPECT_EQ(species2.name_, "thing");
+    EXPECT_EQ(species2.properties_.size(), 2);
+    EXPECT_EQ(species2.properties_["name [units]"], 1.0);
+    EXPECT_EQ(species2.properties_["name2 [units2]"], 2.0);
+    EXPECT_TRUE(species2.IsParameterized());
+    EXPECT_EQ(species.parameterize_({}), 15.4);
+  }
 }
diff --git a/test/unit/system/test_system.cpp b/test/unit/system/test_system.cpp
index 750a17b38..ec60f3a20 100644
--- a/test/unit/system/test_system.cpp
+++ b/test/unit/system/test_system.cpp
@@ -27,6 +27,45 @@ TEST(System, ConstructorWithAllParameters)
   EXPECT_NE(std::find(names.begin(), names.end(), "phase2.species3"), names.end());
   EXPECT_NE(std::find(names.begin(), names.end(), "phase2.species4"), names.end());
 
+  std::vector<int> reorder{ 3, 2, 1, 0, 5, 4 };
+  auto reordered_names = system.UniqueNames([&](const std::vector<std::string> variables, const std::size_t i)
+                                            { return variables[reorder[i]]; });
+  EXPECT_EQ(reordered_names.size(), 6);
+  EXPECT_EQ(reordered_names[0], names[3]);
+  EXPECT_EQ(reordered_names[1], names[2]);
+  EXPECT_EQ(reordered_names[2], names[1]);
+  EXPECT_EQ(reordered_names[3], names[0]);
+  EXPECT_EQ(reordered_names[4], names[5]);
+  EXPECT_EQ(reordered_names[5], names[4]);
+}
+
+TEST(System, ConstructorWithParameterizedSpecies)
+{
+  std::vector<micm::Species> speciesA = { micm::Species("species1"), micm::Species("species2") };
+  std::vector<micm::Species> speciesB = { micm::Species("species3"), micm::Species("species4") };
+  auto param_species = micm::Species("paramSpecies");
+  param_species.parameterize_ = [](const micm::Conditions& c) { return 64.2; };
+  speciesA.push_back(param_species);
+
+  micm::Phase phase = speciesA;
+  std::unordered_map<std::string, micm::Phase> phases = { { "phase1", speciesA }, { "phase2", speciesB } };
+
+  micm::System system = { micm::SystemParameters{ .gas_phase_ = phase, .phases_ = phases } };
+
+  EXPECT_EQ(system.gas_phase_.species_.size(), 3);
+  EXPECT_EQ(system.phases_.size(), 2);
+  EXPECT_EQ(system.StateSize(), 6);
+
+  auto names = system.UniqueNames();
+
+  EXPECT_EQ(names.size(), 6);
+  EXPECT_NE(std::find(names.begin(), names.end(), "species1"), names.end());
+  EXPECT_NE(std::find(names.begin(), names.end(), "species2"), names.end());
+  EXPECT_NE(std::find(names.begin(), names.end(), "phase1.species1"), names.end());
+  EXPECT_NE(std::find(names.begin(), names.end(), "phase1.species2"), names.end());
+  EXPECT_NE(std::find(names.begin(), names.end(), "phase2.species3"), names.end());
+  EXPECT_NE(std::find(names.begin(), names.end(), "phase2.species4"), names.end());
+
   std::vector<int> reorder{ 3, 2, 1, 0, 5, 4 };
   auto reordered_names = system.UniqueNames([&](const std::vector<std::string> variables, const std::size_t i)
                                             { return variables[reorder[i]]; });

From 800d96ef26636525fa16f0ce02dadd5d9766aa25 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Thu, 12 Oct 2023 11:08:24 -0500
Subject: [PATCH 103/318] added all icons

---
 .../assets/analysis-microchip-svgrepo-com.svg |  85 +++++
 .../icons/assets/chemistry-svgrepo-com.svg    |  34 ++
 .../assets/flask-chemistry-svgrepo-com.svg    |  52 +++
 .../icons/assets/microchip-svgrepo-com.svg    |  48 +++
 docs/source/_static/icons/m.svg               |  61 ++++
 docs/source/_static/icons/micm-1.png          | Bin 0 -> 48026 bytes
 docs/source/_static/icons/micm-1.svg          | 138 ++++++++
 docs/source/_static/icons/micm-2.png          | Bin 0 -> 87929 bytes
 docs/source/_static/icons/micm-2.svg          |  77 ++++
 docs/source/_static/icons/micm-3.png          | Bin 0 -> 55369 bytes
 docs/source/_static/icons/micm-3.svg          |  66 ++++
 docs/source/_static/icons/micm-4.png          | Bin 0 -> 52047 bytes
 docs/source/_static/icons/micm-4.svg          | 329 ++++++++++++++++++
 docs/source/_static/{ => icons}/micm.png      | Bin
 docs/source/_static/{ => icons}/micm.svg      |   0
 15 files changed, 890 insertions(+)
 create mode 100644 docs/source/_static/icons/assets/analysis-microchip-svgrepo-com.svg
 create mode 100644 docs/source/_static/icons/assets/chemistry-svgrepo-com.svg
 create mode 100644 docs/source/_static/icons/assets/flask-chemistry-svgrepo-com.svg
 create mode 100644 docs/source/_static/icons/assets/microchip-svgrepo-com.svg
 create mode 100644 docs/source/_static/icons/m.svg
 create mode 100644 docs/source/_static/icons/micm-1.png
 create mode 100644 docs/source/_static/icons/micm-1.svg
 create mode 100644 docs/source/_static/icons/micm-2.png
 create mode 100644 docs/source/_static/icons/micm-2.svg
 create mode 100644 docs/source/_static/icons/micm-3.png
 create mode 100644 docs/source/_static/icons/micm-3.svg
 create mode 100644 docs/source/_static/icons/micm-4.png
 create mode 100644 docs/source/_static/icons/micm-4.svg
 rename docs/source/_static/{ => icons}/micm.png (100%)
 rename docs/source/_static/{ => icons}/micm.svg (100%)

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diff --git a/docs/source/_static/micm.png b/docs/source/_static/icons/micm.png
similarity index 100%
rename from docs/source/_static/micm.png
rename to docs/source/_static/icons/micm.png
diff --git a/docs/source/_static/micm.svg b/docs/source/_static/icons/micm.svg
similarity index 100%
rename from docs/source/_static/micm.svg
rename to docs/source/_static/icons/micm.svg

From 88d6b5b337f0d9521d252df87448b14456fc6859 Mon Sep 17 00:00:00 2001
From: David Fillmore <1524012+dwfncar@users.noreply.github.com>
Date: Thu, 12 Oct 2023 10:50:55 -0600
Subject: [PATCH 104/318] Test kpp micm (#295)

* Start on test_kpp_to_micm program.

* Start on CMakeLists for test_kpp_to_micm.

* Added kpp test subdir.

* Renamed test.

* Set config path relative to build dir.

* Added kpp_to_micm.py generated JSON.

* Copy kpp_to_micm JSON to builds/configs for testing.

* Check ConfigParseStatus.

* Include regression/RosenbrockChapman/chapman_ode_solver.

* Instantiate micm::RosenbrockSolver.

* Get solver state and initialize T and p.

* Added initial concentrations for Chapman test from Seinfeld and Pandis.

* Added solver.Solve iteration.

* Added --to_si_units option to kpp_to_micm.py.

* Updated Chapman reactions JSON to SI units.

* Use SI units.

* Use SI units.

* Added print_state to test_kpp_to_micm.

* Improved print_state format.

* Made a KPP config for Chapman without NOx, for comparison to RosenbrockChapman.

* Removed NOx from Chapman KPP test.

* Added M to print_state.

* Set photolysis rates.

* Print custom param labels.

* Use state.SetCustomRateParameter to set photolysis rates.

* Use state.SetConcentration for each species.

* Changed print precision to 3 decimal places.

* Changed print precision to 3 decimal places.

* Set initial O3 concentration to 0.

* Cleaned up comments.

* Change to SI conversion factor to (N_Avogradro 1e-6)^(N_reactants-1).
---
 etc/configs/kpp/chapman.eqn                 |  10 ++
 etc/configs/kpp/chapman.spc                 |  11 ++
 etc/scripts/kpp_to_micm.py                  |  39 ++++--
 test/CMakeLists.txt                         |   1 +
 test/kpp/CMakeLists.txt                     |  21 +++
 test/kpp/configs/kpp_chapman/reactions.json |  97 ++++++++++++++
 test/kpp/configs/kpp_chapman/species.json   |  29 ++++
 test/kpp/test_kpp_to_micm.cpp               | 141 ++++++++++++++++++++
 8 files changed, 341 insertions(+), 8 deletions(-)
 create mode 100644 etc/configs/kpp/chapman.eqn
 create mode 100644 etc/configs/kpp/chapman.spc
 create mode 100644 test/kpp/CMakeLists.txt
 create mode 100644 test/kpp/configs/kpp_chapman/reactions.json
 create mode 100644 test/kpp/configs/kpp_chapman/species.json
 create mode 100644 test/kpp/test_kpp_to_micm.cpp

diff --git a/etc/configs/kpp/chapman.eqn b/etc/configs/kpp/chapman.eqn
new file mode 100644
index 000000000..c15640dd5
--- /dev/null
+++ b/etc/configs/kpp/chapman.eqn
@@ -0,0 +1,10 @@
+#EQUATIONS { Small Stratospheric Mechanism }
+
+<R1>  O2   + hv = 2O        : (2.643E-10) * SUN*SUN*SUN;
+<R2>  O    + O2 = O3        : (8.018E-17);
+<R3>  O3   + hv = O + O2    : (6.120E-04) * SUN;
+<R4>  O    + O3 = 2O2       : (1.576E-15);
+<R5>  O3   + hv = O1D + O2  : (1.070E-03) * SUN*SUN;
+<R6>  O1D  + M  = O   + M   : (7.110E-11);
+<R7>  O1D  + O3 = 2O2       : (1.200E-10);
+
diff --git a/etc/configs/kpp/chapman.spc b/etc/configs/kpp/chapman.spc
new file mode 100644
index 000000000..0dab2f343
--- /dev/null
+++ b/etc/configs/kpp/chapman.spc
@@ -0,0 +1,11 @@
+#INCLUDE atoms.kpp
+
+#DEFVAR
+O   = O;          { Oxygen atomic ground state }
+O1D = O;          { Oxygen atomic excited state }
+O3  = O + O + O;  { Ozone }
+
+#DEFFIX
+M   = O + O + N + N;  { Atmospheric generic molecule }
+O2  = O + O;          { Molecular oxygen }
+
diff --git a/etc/scripts/kpp_to_micm.py b/etc/scripts/kpp_to_micm.py
index 004ac88ea..956f88151 100644
--- a/etc/scripts/kpp_to_micm.py
+++ b/etc/scripts/kpp_to_micm.py
@@ -31,6 +31,7 @@
 Revision History:
     v1.00 2023/08/03 Initial implementation
     v1.01 2023/08/16 Added method parse_kpp_arrhenius
+    v1.02 2023/10/05 Added unit conversion option
 """
 
 import os
@@ -40,7 +41,12 @@
 import json
 from glob import glob
 
-__version__ = 'v1.01'
+__version__ = 'v1.02'
+
+"""
+Physical Constants
+"""
+N_Avogadro = 6.02214076e23 
 
 
 def read_kpp_config(kpp_dir, kpp_name):
@@ -129,17 +135,21 @@ def micm_species_json(lines, fixed=False, tolerance=1.0e-12):
     return species_json
 
 
-def parse_kpp_arrhenius(kpp_str):
+def parse_kpp_arrhenius(kpp_str, to_si_units=False,
+    N_reactants=2):
     """
     Parse KPP Arrhenius reaction
 
     Parameters
         (str) kpp_str: Arrhenius reaction string
+        (bool) to_si_units: convert A coefficient
+        from (cm^3 molecule-1)^(N-1) s-1 to (m^3 mol-1)^(N-1) s-1
+        where N is the number of reactants
+        (int) N_reactants: number of reactants
 
     Returns
         (dict): MICM Arrhenius reaction coefficients
 
-
     Arrhenius formula from KPP
     --------------------------
 
@@ -188,16 +198,20 @@ def parse_kpp_arrhenius(kpp_str):
         arr_dict['D'] = 300.0
     else:
         logging.error('unrecognized KPP Arrhenius syntax')
+    if to_si_units:
+        arr_dict['A'] *= (N_Avogadro * 1.0e-6)**(N_reactants - 1)
     logging.debug(arr_dict)
     return arr_dict
 
 
-def micm_equation_json(lines):
+def micm_equation_json(lines, to_si_units=False):
     """
     Generate MICM equation JSON
 
     Parameters
         (list of str) lines: lines of equation section
+        (bool) to_si_units: convert A coefficient
+        from cm^3 molecule-1 s-1 to m^3 mol-1 s-1
 
     Returns
         (list of dict): list of MICM equation entries
@@ -227,17 +241,22 @@ def micm_equation_json(lines):
         reactants = [reactant.strip().lstrip() for reactant in reactants]
         products = [product.strip().lstrip() for product in products]
 
+        N_reactants = len(reactants)
+
         equation_dict = dict()
 
         if 'SUN' in coeffs:
-            equation_dict['type'] = 'PHOTOLYSIS' 
+            equation_dict['type'] = 'PHOTOLYSIS'
         elif 'ARR' in coeffs:
-            equation_dict = parse_kpp_arrhenius(coeffs)
+            equation_dict = parse_kpp_arrhenius(coeffs,
+                to_si_units=to_si_units, N_reactants=N_reactants)
         else:
             # default to Arrhenius with a single coefficient
             coeffs = coeffs.replace('(', '').replace(')', '')
-            equation_dict['type'] = 'ARRHENIUS' 
+            equation_dict['type'] = 'ARRHENIUS'
             equation_dict['A'] = float(coeffs)
+            if to_si_units:
+                equation_dict['A'] *= (N_Avogadro * 1.0e-6)**(N_reactants - 1)
 
         equation_dict['reactants'] = dict()
         equation_dict['products'] = dict()
@@ -286,6 +305,9 @@ def micm_equation_json(lines):
     parser.add_argument('--mechanism', type=str,
         default='Chapman',
         help='mechanism name')
+    parser.add_argument('--to_si_units', action='store_true',
+        default=False,
+        help='convert units from molecules cm-3 to mol m-3')
     parser.add_argument('--debug', action='store_true',
         help='set logging level to debug')
     args = parser.parse_args()
@@ -324,7 +346,8 @@ def micm_equation_json(lines):
     """
     Generate MICM equations JSON from KPP #EQUATIONS section
     """
-    equations_json = micm_equation_json(sections['#EQUATIONS'])
+    equations_json = micm_equation_json(sections['#EQUATIONS'],
+        to_si_units=args.to_si_units)
 
     """
     Assemble MICM species JSON
diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt
index cfc56e8ef..a87f8b2f7 100644
--- a/test/CMakeLists.txt
+++ b/test/CMakeLists.txt
@@ -5,3 +5,4 @@ add_subdirectory(unit)
 add_subdirectory(regression)
 add_subdirectory(integration)
 add_subdirectory(tutorial)
+add_subdirectory(kpp)
diff --git a/test/kpp/CMakeLists.txt b/test/kpp/CMakeLists.txt
new file mode 100644
index 000000000..420b18ca0
--- /dev/null
+++ b/test/kpp/CMakeLists.txt
@@ -0,0 +1,21 @@
+################################################################################
+# Test utilities
+
+include(test_util)
+
+################################################################################
+# Tests
+
+if(ENABLE_JSON)
+  create_standard_test(NAME kpp_to_micm SOURCES test_kpp_to_micm.cpp)
+endif()
+
+################################################################################
+
+################################################################################
+# Copy test data
+
+add_custom_target(copy_kpp_configs ALL ${CMAKE_COMMAND} -E copy_directory
+  ${CMAKE_CURRENT_SOURCE_DIR}/configs ${CMAKE_BINARY_DIR}/configs)
+
+################################################################################
diff --git a/test/kpp/configs/kpp_chapman/reactions.json b/test/kpp/configs/kpp_chapman/reactions.json
new file mode 100644
index 000000000..85129afe1
--- /dev/null
+++ b/test/kpp/configs/kpp_chapman/reactions.json
@@ -0,0 +1,97 @@
+{
+    "camp-data": [
+        {
+            "name": "Chapman",
+            "type": "MECHANISM",
+            "reactions": [
+                {
+                    "type": "PHOTOLYSIS",
+                    "reactants": {
+                        "O2": {}
+                    },
+                    "products": {
+                        "O": {
+                            "yield": 2.0
+                        }
+                    },
+                    "MUSICA name": "R1"
+                },
+                {
+                    "type": "ARRHENIUS",
+                    "A": 48.28552461368,
+                    "reactants": {
+                        "O": {},
+                        "O2": {}
+                    },
+                    "products": {
+                        "O3": {}
+                    },
+                    "MUSICA name": "R2"
+                },
+                {
+                    "type": "PHOTOLYSIS",
+                    "reactants": {
+                        "O3": {}
+                    },
+                    "products": {
+                        "O": {},
+                        "O2": {}
+                    },
+                    "MUSICA name": "R3"
+                },
+                {
+                    "type": "ARRHENIUS",
+                    "A": 949.089383776,
+                    "reactants": {
+                        "O": {},
+                        "O3": {}
+                    },
+                    "products": {
+                        "O2": {
+                            "yield": 2.0
+                        }
+                    },
+                    "MUSICA name": "R4"
+                },
+                {
+                    "type": "PHOTOLYSIS",
+                    "reactants": {
+                        "O3": {}
+                    },
+                    "products": {
+                        "O1D": {},
+                        "O2": {}
+                    },
+                    "MUSICA name": "R5"
+                },
+                {
+                    "type": "ARRHENIUS",
+                    "A": 42817420.803600006,
+                    "reactants": {
+                        "O1D": {},
+                        "M": {}
+                    },
+                    "products": {
+                        "O": {},
+                        "M": {}
+                    },
+                    "MUSICA name": "R6"
+                },
+                {
+                    "type": "ARRHENIUS",
+                    "A": 72265689.12,
+                    "reactants": {
+                        "O1D": {},
+                        "O3": {}
+                    },
+                    "products": {
+                        "O2": {
+                            "yield": 2.0
+                        }
+                    },
+                    "MUSICA name": "R7"
+                }
+            ]
+        }
+    ]
+}
\ No newline at end of file
diff --git a/test/kpp/configs/kpp_chapman/species.json b/test/kpp/configs/kpp_chapman/species.json
new file mode 100644
index 000000000..c962907ff
--- /dev/null
+++ b/test/kpp/configs/kpp_chapman/species.json
@@ -0,0 +1,29 @@
+{
+    "camp-data": [
+        {
+            "name": "M",
+            "type": "CHEM_SPEC",
+            "tracer type": "CONSTANT"
+        },
+        {
+            "name": "O2",
+            "type": "CHEM_SPEC",
+            "tracer type": "CONSTANT"
+        },
+        {
+            "name": "O",
+            "type": "CHEM_SPEC",
+            "absolute tolerance": 1e-12
+        },
+        {
+            "name": "O1D",
+            "type": "CHEM_SPEC",
+            "absolute tolerance": 1e-12
+        },
+        {
+            "name": "O3",
+            "type": "CHEM_SPEC",
+            "absolute tolerance": 1e-12
+        }
+    ]
+}
\ No newline at end of file
diff --git a/test/kpp/test_kpp_to_micm.cpp b/test/kpp/test_kpp_to_micm.cpp
new file mode 100644
index 000000000..bcff1d90a
--- /dev/null
+++ b/test/kpp/test_kpp_to_micm.cpp
@@ -0,0 +1,141 @@
+#include <micm/configure/solver_config.hpp>
+#include <micm/process/arrhenius_rate_constant.hpp>
+#include <micm/solver/rosenbrock.hpp>
+#include <micm/system/species.hpp>
+
+template<class T>
+using SparseMatrixPolicy = micm::SparseMatrix<T>;
+
+void print_header()
+{
+  std::cout << std::setw(5) << "time"
+            << "," << std::setw(10) << "M"
+            << "," << std::setw(11) << "O2"
+            << "," << std::setw(11) << "O3"
+            << "," << std::setw(11) << "O"
+            << "," << std::setw(11) << "O1D" << std::endl;
+}
+
+template<template<class> class T>
+void print_state(double time, micm::State<T>& state)
+{
+  std::ios oldState(nullptr);
+  oldState.copyfmt(std::cout);
+
+  std::cout << std::setw(5) << time << "," << std::flush;
+
+  std::cout << std::scientific << std::setw(10) << std::setprecision(3)
+            << state.variables_[0][state.variable_map_["M"]]
+            << "," << std::setw(11) << std::setprecision(3)
+            << state.variables_[0][state.variable_map_["O2"]]
+            << "," << std::setw(11) << std::setprecision(3)
+            << state.variables_[0][state.variable_map_["O3"]]
+            << "," << std::setw(11) << std::setprecision(3)
+            << state.variables_[0][state.variable_map_["O"]]
+            << "," << std::setw(11) << std::setprecision(3)
+            << state.variables_[0][state.variable_map_["O1D"]] << std::endl;
+
+  std::cout.copyfmt(oldState);
+}
+
+int main(const int argc, const char *argv[])
+{
+
+  micm::SolverConfig solver_config;
+
+  // Read and parse the configure files
+  micm::ConfigParseStatus status = solver_config.ReadAndParse(
+    "./configs/kpp_chapman");
+
+  if (status != micm::ConfigParseStatus::Success)
+  {
+    throw "Parsing failed";
+  }
+
+  micm::SolverParameters solver_params = solver_config.GetSolverParams();
+
+  auto& process_vector = solver_params.processes_;
+
+  // Print reactions from reactions configuration
+  for (int i = 0; i < process_vector.size(); i++) {
+
+    int n_reactants = process_vector[i].reactants_.size();
+    for (int j = 0; j < n_reactants - 1; j++) {
+      std::cout << process_vector[i].reactants_[j].name_ << " + ";
+    }
+    std::cout << process_vector[i].reactants_[n_reactants - 1].name_;
+
+    std::cout << " --> ";
+
+    int n_products = process_vector[i].products_.size();
+    for (int j = 0; j < n_products - 1; j++) {
+      std::cout << process_vector[i].products_[j].first.name_ << " + ";
+    }
+    std::cout << process_vector[i].products_[n_products - 1].first.name_;
+
+    std::vector<std::string> param_labels = process_vector[i].rate_constant_->CustomParameters();
+    for (int k = 0; k < param_labels.size(); k++) {
+      std::cout << " " << param_labels[k];
+    }
+
+    std::cout << std::endl;
+  }
+
+  auto chemical_system = solver_params.system_;
+  auto reactions = solver_params.processes_;
+
+  micm::RosenbrockSolver<micm::Matrix, SparseMatrixPolicy> solver{
+    chemical_system, reactions,
+    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+
+  micm::State state = solver.GetState();
+
+  state.conditions_[0].temperature_ = 227.0;  // K
+  state.conditions_[0].pressure_ = 1200.0;    // Pa
+
+  state.SetCustomRateParameter("PHOTO.R1", 6.0e-11);  // s^-1 j_O2
+  state.SetCustomRateParameter("PHOTO.R3", 1.0e-3);   // s^-1 j_O3
+  state.SetCustomRateParameter("PHOTO.R5", 1.0e-3);   // s^-1 j_O3
+
+  // Define initial concentrations from Seinfeld & Pandis 3e
+  //   and convert to SI units
+  double N_Avogadro = 6.02214076e23;
+  // molecules cm-3 -> mol m-3, z = 30 km, S&P3e table 5.1 p. 121
+  double n_M = 3.1e17 * 1.0e6 / N_Avogadro;
+  double n_O2 = 0.21 * n_M; // [O2] ~ 0.21 [M]
+  // typical [O3] mid-latitude z ~ 30 km
+  double n_O3 = 2.0e12 * 1.0e6 / N_Avogadro;
+  // [O] / [O3] ~ 3e-5, S&P3e p. 124
+
+  micm::Species M("M");
+  micm::Species O2("O2");
+  micm::Species O3("O3");
+  micm::Species O("O");
+  micm::Species O1D("O1D");
+
+  state.SetConcentration(M, n_M);
+  state.SetConcentration(O2, n_O2);
+  state.SetConcentration(O3, n_O3);
+  state.SetConcentration(O, 0.0);
+  state.SetConcentration(O1D, 0.0);
+
+  double time_step = 3600;  // s
+  int nstep = 24;
+
+  print_header();
+  print_state(0, state);
+
+  for (int i = 0; i < nstep; ++i) {
+
+    double elapsed_solve_time = 0;
+
+    while (elapsed_solve_time < time_step) {
+      auto result = solver.Solve(time_step - elapsed_solve_time, state);
+      elapsed_solve_time = result.final_time_;
+      state.variables_[0] = result.result_.AsVector();
+    }
+    print_state(time_step * (i + 1), state);
+  }
+
+  return 0;
+}

From 63e26dfa16421a28277190b766133248929b8d10 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Thu, 12 Oct 2023 15:32:03 -0500
Subject: [PATCH 105/318] svg sources

---
 docs/source/_static/icons/assets/README.md | 7 +++++++
 1 file changed, 7 insertions(+)
 create mode 100644 docs/source/_static/icons/assets/README.md

diff --git a/docs/source/_static/icons/assets/README.md b/docs/source/_static/icons/assets/README.md
new file mode 100644
index 000000000..ad6464ac5
--- /dev/null
+++ b/docs/source/_static/icons/assets/README.md
@@ -0,0 +1,7 @@
+URLs
+
+- [analysis microchip](https://www.svgrepo.com/svg/198352/analysis-microchip)
+- [chemistry](https://www.svgrepo.com/svg/84257/chemistry)
+- [flask chemistry](https://www.svgrepo.com/svg/200963/flask-chemistry)
+- [chip microchip](https://www.svgrepo.com/svg/278922/chip-microchip)
+- [microchip](https://www.svgrepo.com/svg/217555/microchip)
\ No newline at end of file

From 9d4a65184f23f371d998a22d1d5a827a77d1f771 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Thu, 12 Oct 2023 15:15:21 -0700
Subject: [PATCH 106/318] add terminator test

---
 include/micm/system/species.hpp |   9 +++
 test/integration/CMakeLists.txt |   1 +
 test/integration/terminator.cpp |  42 ++++++++++++++
 test/integration/terminator.hpp | 100 ++++++++++++++++++++++++++++++++
 4 files changed, 152 insertions(+)
 create mode 100644 test/integration/terminator.cpp
 create mode 100644 test/integration/terminator.hpp

diff --git a/include/micm/system/species.hpp b/include/micm/system/species.hpp
index 912ac2de8..f4b4f0dc1 100644
--- a/include/micm/system/species.hpp
+++ b/include/micm/system/species.hpp
@@ -47,6 +47,9 @@ namespace micm
 
     /// @brief Returns whether a species is parameterized
     bool IsParameterized() const;
+
+    /// @brief Return a Species instance parameterized on air density
+    static Species ThirdBody();
   };
 
   inline Species& Species::operator=(const Species& other)
@@ -80,4 +83,10 @@ namespace micm
     return parameterize_ != nullptr;
   }
 
+  inline Species Species::ThirdBody()
+  {
+    Species third_body{ "M" };
+    third_body.parameterize_ = [](const Conditions& c) { return c.air_density_; };
+    return third_body;
+  }
 }  // namespace micm
diff --git a/test/integration/CMakeLists.txt b/test/integration/CMakeLists.txt
index 463e70d86..77ccb7d86 100644
--- a/test/integration/CMakeLists.txt
+++ b/test/integration/CMakeLists.txt
@@ -8,6 +8,7 @@ include(test_util)
 
 create_standard_test(NAME chapman_integration SOURCES chapman.cpp)
 create_standard_test(NAME analytical_rosenbrock_integration SOURCES analytical_rosenbrock.cpp)
+create_standard_test(NAME terminator_integration SOURCES terminator.cpp)
 
 if(ENABLE_LLVM)
   create_standard_test(NAME analytical_jit_rosenbrock_integration SOURCES analytical_jit_rosenbrock.cpp)
diff --git a/test/integration/terminator.cpp b/test/integration/terminator.cpp
new file mode 100644
index 000000000..07467b5be
--- /dev/null
+++ b/test/integration/terminator.cpp
@@ -0,0 +1,42 @@
+#include "terminator.hpp"
+
+#include <gtest/gtest.h>
+
+#include <micm/util/matrix.hpp>
+#include <micm/util/sparse_matrix.hpp>
+#include <micm/util/sparse_matrix_vector_ordering.hpp>
+#include <micm/util/vector_matrix.hpp>
+
+TEST(RosenbrockSolver, Terminator)
+{
+  TestTerminator<micm::Matrix, micm::SparseMatrix, micm::LinearSolver<double, micm::SparseMatrix>>(1);
+  TestTerminator<micm::Matrix, micm::SparseMatrix, micm::LinearSolver<double, micm::SparseMatrix>>(2);
+  TestTerminator<micm::Matrix, micm::SparseMatrix, micm::LinearSolver<double, micm::SparseMatrix>>(3);
+  TestTerminator<micm::Matrix, micm::SparseMatrix, micm::LinearSolver<double, micm::SparseMatrix>>(4);
+}
+
+template<class T>
+using Group1VectorMatrix = micm::VectorMatrix<T, 1>;
+template<class T>
+using Group2VectorMatrix = micm::VectorMatrix<T, 2>;
+template<class T>
+using Group3VectorMatrix = micm::VectorMatrix<T, 3>;
+template<class T>
+using Group4VectorMatrix = micm::VectorMatrix<T, 4>;
+
+template<class T>
+using Group1SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<1>>;
+template<class T>
+using Group2SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<2>>;
+template<class T>
+using Group3SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<3>>;
+template<class T>
+using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<4>>;
+
+TEST(RosenbrockSolver, VectorTerminator)
+{
+  TestTerminator<Group1VectorMatrix, Group1SparseVectorMatrix, micm::LinearSolver<double, Group1SparseVectorMatrix>>(1);
+  TestTerminator<Group2VectorMatrix, Group2SparseVectorMatrix, micm::LinearSolver<double, Group2SparseVectorMatrix>>(4);
+  TestTerminator<Group3VectorMatrix, Group3SparseVectorMatrix, micm::LinearSolver<double, Group3SparseVectorMatrix>>(3);
+  TestTerminator<Group4VectorMatrix, Group4SparseVectorMatrix, micm::LinearSolver<double, Group4SparseVectorMatrix>>(2);
+}
\ No newline at end of file
diff --git a/test/integration/terminator.hpp b/test/integration/terminator.hpp
new file mode 100644
index 000000000..9a1c226c7
--- /dev/null
+++ b/test/integration/terminator.hpp
@@ -0,0 +1,100 @@
+#include <gtest/gtest.h>
+#include <math.h>
+
+#include <micm/process/arrhenius_rate_constant.hpp>
+#include <micm/process/process.hpp>
+#include <micm/process/user_defined_rate_constant.hpp>
+#include <micm/solver/rosenbrock.hpp>
+#include <micm/solver/state.hpp>
+#include <micm/system/phase.hpp>
+#include <micm/system/system.hpp>
+#include <random>
+#include <utility>
+#include <vector>
+
+/// @brief A test of the "Terminator" mechanism:
+///
+/// Cl2 --hv--> 2 Cl
+/// Cl + Cl + M --> Cl2 + M
+///
+/// More details including analytical solution can be found here:
+/// https://github.com/ESCOMP/CAM/blob/8cd44c50fe107c0b93ccd48b61eaa3d10a5b4e2f/src/chemistry/pp_terminator/chemistry.F90#L1-L434
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+void TestTerminator(std::size_t number_of_grid_cells)
+{
+  auto cl2 = micm::Species("Cl2");
+  auto cl = micm::Species("Cl");
+  auto m = micm::Species::ThirdBody();
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ cl2, cl, m } };
+
+  micm::Process toy_r1 = micm::Process::create()
+                             .reactants({ cl2 })
+                             .products({ micm::Yield(cl, 2.0) })
+                             .phase(gas_phase)
+                             .rate_constant(micm::UserDefinedRateConstant({ .label_ = "toy_k1" }));
+
+  constexpr double k2 = 1.0e-6;  // 1.0;
+  micm::Process toy_r2 = micm::Process::create()
+                             .reactants({ cl, cl, m })
+                             .products({ micm::Yield(cl2, 1.0) })
+                             .phase(gas_phase)
+                             .rate_constant(micm::ArrheniusRateConstant({ .A_ = k2 }));
+
+  micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> solver{
+    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+    std::vector<micm::Process>{ toy_r1, toy_r2 },
+    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells, true)
+  };
+
+  micm::State<MatrixPolicy> state = solver.GetState();
+
+  auto get_double = std::bind(std::lognormal_distribution(-2.0, 2.0), std::default_random_engine());
+  std::unordered_map<std::string, std::vector<double>> concentrations{ { "Cl2", {} }, { "Cl", {} } };
+  for (std::size_t i_cell = 0; i_cell < number_of_grid_cells; ++i_cell)
+  {
+    concentrations["Cl2"].push_back(get_double() * 1.0e-6);
+    concentrations["Cl"].push_back(get_double() * 1.0e-10);
+  }
+  state.SetConcentrations(concentrations);
+
+  std::unordered_map<std::string, std::vector<double>> custom_rate_constants{
+    { "toy_k1", std::vector<double>(number_of_grid_cells) }
+  };
+  for (double lon = 0.0; lon < 2.0 * M_PI; lon += 0.3)
+  {
+    for (std::size_t i_cell = 0; i_cell < number_of_grid_cells; ++i_cell)
+    {
+      constexpr double k1_lat_center = M_PI * 20.0 / 180.0;
+      constexpr double k1_lon_center = M_PI * 300.0 / 180.0;
+      double lat = M_PI / 180.0 * (i_cell * (90.0 / number_of_grid_cells));
+
+      double k1 = std::max(
+          0.0,
+          std::sin(lat) * std::sin(k1_lat_center) + std::cos(lat) * std::cos(k1_lat_center) * std::cos(lon - k1_lon_center));
+      custom_rate_constants["toy_k1"][i_cell] = 1.0e-6;  // k1;
+      state.conditions_[i_cell].temperature_ = 298.0;
+      state.conditions_[i_cell].pressure_ = 101300.0;
+    }
+    state.SetCustomRateParameters(custom_rate_constants);
+
+    double dt = 30.0;
+    auto result = solver.Solve(dt, state);
+    for (std::size_t i_cell = 0; i_cell < number_of_grid_cells; ++i_cell)
+    {
+      double r = custom_rate_constants["toy_k1"][i_cell] / (4.0 * k2);
+      double cl_i = concentrations["Cl"][i_cell];
+      double cl2_i = concentrations["Cl2"][i_cell];
+      double cly = cl_i + 2.0 * cl2_i;
+      double det = std::sqrt(r * r + 2.0 * r * cly);
+      double e = std::exp(-4.0 * k2 * det * dt);
+      double l = (det * k2 * dt) > 1.0e-16 ? (1.0 - e) / det / dt : 4.0 * k2;
+      double cl_f = -l * (cl_i - det + r) * (cl_i + det + r) / (1.0 + e + dt * l * (cl_i + r));
+      double cl2_f = -cl_f / 2.0;
+      EXPECT_NEAR(
+          result.result_[i_cell][state.variable_map_["Cl"]], cl_i + dt * cl_f, (cl_i + dt * cl_f) * 1.0e-8 + 1.0e-30);
+      EXPECT_NEAR(
+          result.result_[i_cell][state.variable_map_["Cl2"]], cl2_i + dt * cl2_f, (cl2_i + dt * cl2_f) * 1.0e-8 + 1.0e-30);
+    }
+  }
+}

From 36ecd6302f4d05bd5e502676aaf45dbade416cf0 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Thu, 12 Oct 2023 15:37:48 -0700
Subject: [PATCH 107/318] update README example with time output

---
 README.md                             | 35 +++++++++++++++------------
 test/tutorial/test_README_example.cpp | 11 ++++-----
 2 files changed, 25 insertions(+), 21 deletions(-)

diff --git a/README.md b/README.md
index ba1895a51..9fe46beb4 100644
--- a/README.md
+++ b/README.md
@@ -114,15 +114,20 @@ int main(const int argc, const char *argv[])
   state.conditions_[0].pressure_ = 101319.9;   // Pa
   state.SetConcentration(foo, 20.0);           // mol m-3
 
-  std::cout << "foo,       bar,      baz" << std::endl;
+  std::cout << std::setw(5) << "time [s]," 
+            << std::setw(13) << "foo, "
+            << std::setw(12) << "bar, "
+            << std::setw(10) << "baz" << std::endl;
   for (int i = 0; i < 10; ++i)
   {
     auto result = solver.Solve(500.0, state);
     state.variables_ = result.result_;
-    std::cout << std::fixed << std::setprecision(6)
-              << state.variables_[0][state.variable_map_["Foo"]] << ", "
-              << state.variables_[0][state.variable_map_["Bar"]] << ", "
-              << state.variables_[0][state.variable_map_["Baz"]] << std::endl;
+    std::cout << std::setfill(' ') << std::fixed
+              << std::setw(8) << std::setprecision(2) << i * 500.0 << ", "
+              << std::setw(10) << std::setprecision(4) << state.variables_[0][state.variable_map_["Foo"]] << ", "
+              << std::setw(10) << std::setprecision(4) << state.variables_[0][state.variable_map_["Bar"]] << ", " 
+              << std::setw(10) << std::setprecision(4) << state.variables_[0][state.variable_map_["Baz"]]
+              << std::endl;
   }
 
   return 0;
@@ -138,16 +143,16 @@ g++ -o foo_chem foo_chem.cpp -I/usr/local/micm-3.1.0/include -std=c++20
 Output:
 ```
 time [s],        foo,        bar,        baz
-0.000000,  11.843503,   5.904845,   1.907012
-500.000000,   6.792023,   9.045965,   3.317336
-1000.000000,   3.828700,  10.740589,   4.210461
-1500.000000,   2.138145,  11.663685,   4.739393
-2000.000000,   1.187934,  12.169452,   5.042503
-2500.000000,   0.658129,  12.447502,   5.213261
-3000.000000,   0.363985,  12.600676,   5.308597
-3500.000000,   0.201076,  12.685147,   5.361559
-4000.000000,   0.111028,  12.731727,   5.390884
-4500.000000,   0.061290,  12.757422,   5.407096
+    0.00,    11.8435,     5.9048,     1.9070
+  500.00,     6.7920,     9.0460,     3.3173
+ 1000.00,     3.8287,    10.7406,     4.2105
+ 1500.00,     2.1381,    11.6637,     4.7394
+ 2000.00,     1.1879,    12.1695,     5.0425
+ 2500.00,     0.6581,    12.4475,     5.2133
+ 3000.00,     0.3640,    12.6007,     5.3086
+ 3500.00,     0.2011,    12.6851,     5.3616
+ 4000.00,     0.1110,    12.7317,     5.3909
+ 4500.00,     0.0613,    12.7574,     5.4071
 ```
 # Citation
 
diff --git a/test/tutorial/test_README_example.cpp b/test/tutorial/test_README_example.cpp
index 593020e65..fba9cefb2 100644
--- a/test/tutorial/test_README_example.cpp
+++ b/test/tutorial/test_README_example.cpp
@@ -30,7 +30,6 @@ int main(const int argc, const char *argv[])
   std::vector<Process> reactions{ r1, r2 };
 
   RosenbrockSolver<> solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
-  solver.parameters_.print();
 
   State state = solver.GetState();
 
@@ -46,11 +45,11 @@ int main(const int argc, const char *argv[])
   {
     auto result = solver.Solve(500.0, state);
     state.variables_ = result.result_;
-    std::cout << std::fixed << std::setprecision(6) 
-              << std::setw(8) << i * 500.0 << ", "
-              << std::setw(10) << state.variables_[0][state.variable_map_["Foo"]] << ", "
-              << std::setw(10) << state.variables_[0][state.variable_map_["Bar"]] << ", " 
-              << std::setw(10) << state.variables_[0][state.variable_map_["Baz"]]
+    std::cout << std::setfill(' ') << std::fixed
+              << std::setw(8) << std::setprecision(2) << i * 500.0 << ", "
+              << std::setw(10) << std::setprecision(4) << state.variables_[0][state.variable_map_["Foo"]] << ", "
+              << std::setw(10) << std::setprecision(4) << state.variables_[0][state.variable_map_["Bar"]] << ", " 
+              << std::setw(10) << std::setprecision(4) << state.variables_[0][state.variable_map_["Baz"]]
               << std::endl;
   }
 

From f77e582af645c86e5fceb124b9c7a4925e5caed8 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Thu, 12 Oct 2023 17:39:10 -0500
Subject: [PATCH 108/318] adding micm optional dependency pictures (#311)

---
 README.md                       |   7 +++++++
 docs/source/_static/options.png | Bin 0 -> 57957 bytes
 docs/source/getting_started.rst |   6 ++++++
 3 files changed, 13 insertions(+)
 create mode 100644 docs/source/_static/options.png

diff --git a/README.md b/README.md
index ba1895a51..3a255dad6 100644
--- a/README.md
+++ b/README.md
@@ -36,6 +36,13 @@ make test
 If you would later like to uninstall MICM, you can run
 `sudo make uninstall` from the `build/` directory.
 
+## Options
+
+There are multiple options for running micm. Please [read our docs](https://ncar.github.io/micm/getting_started.html) 
+to learn how to configure these options.
+
+![Options for running micm](docs/source/_static/options.png)
+
 ## Running a MICM Docker container
 
 You must have [Docker Desktop](https://www.docker.com/get-started) installed and running.
diff --git a/docs/source/_static/options.png b/docs/source/_static/options.png
new file mode 100644
index 0000000000000000000000000000000000000000..700cf40f9ef9aaad151833ede719544f7a5a8fb2
GIT binary patch
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HcmV?d00001

diff --git a/docs/source/getting_started.rst b/docs/source/getting_started.rst
index aaebdcfbf..1483c0697 100644
--- a/docs/source/getting_started.rst
+++ b/docs/source/getting_started.rst
@@ -28,6 +28,12 @@ step will simply copy the header files into the normal location required by your
 CMake will allow for setting options such as the installation directory
 with CMAKE_INSTALL_PREFIX, or various build flags such as BUILD_DOCS, ENABLE_CUDA, etc.
 
+Options
+-------
+
+.. image:: _static/options.png
+
+
 MICM can optionally include support for json configuration reading, OpenMP,
 JIT-compiled chemistry functions, and GPUs. Each of these requires an additional library. 
 Some of these libraries can be included automatically with cmake build options,

From d5946ac05905adcf00a590e1160a26efbe5cd9a0 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Thu, 12 Oct 2023 17:45:43 -0500
Subject: [PATCH 109/318] Actions (#307)

* organizing actions

* not building json tests for clang on windows

* trying to get linux to run

* debug and release types on mac and unbuntu

* readme badges and docker and coverage test name

* adding gcc and clang tests for debug and release on mac

* adding concurrency check

* trying to prevent duplicates from running

* another duplicate prevention

* removing x86 because it takes too long

* using homebrew gcc compilers
---
 .github/workflows/docker_and_coverage.yml |  54 ++++++++
 .github/workflows/mac.yml                 |  86 ++++++++++++
 .github/workflows/test.yml                | 154 ----------------------
 .github/workflows/ubuntu.yml              |  56 ++++++++
 .github/workflows/windows.yml             | 140 ++++++++++++++++++++
 README.md                                 |   5 +-
 6 files changed, 340 insertions(+), 155 deletions(-)
 create mode 100644 .github/workflows/docker_and_coverage.yml
 create mode 100644 .github/workflows/mac.yml
 delete mode 100644 .github/workflows/test.yml
 create mode 100644 .github/workflows/ubuntu.yml
 create mode 100644 .github/workflows/windows.yml

diff --git a/.github/workflows/docker_and_coverage.yml b/.github/workflows/docker_and_coverage.yml
new file mode 100644
index 000000000..53270c370
--- /dev/null
+++ b/.github/workflows/docker_and_coverage.yml
@@ -0,0 +1,54 @@
+name: Docker
+
+on: [push, pull_request]
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref || github.run_id }}
+  cancel-in-progress: true
+
+jobs:
+  docker-build-and-test:
+    if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.event.pull_request.base.repo.full_name
+    name: Build and Test - ${{ matrix.dockerfile }}
+    runs-on: ubuntu-latest
+    strategy:
+      fail-fast: false
+      matrix:
+        os: [ubuntu-latest]
+        dockerfile:
+          - Dockerfile
+          - Dockerfile.coverage
+          - Dockerfile.llvm
+          - Dockerfile.memcheck
+          - Dockerfile.no_json
+          - Dockerfile.nvhpc
+          - Dockerfile.openmp
+          # - Dockerfile.intel # intel image is too large for GH action
+          # - Dockerfile.mpi
+    steps:
+      - name: Checkout code
+        uses: actions/checkout@v3
+        with:
+          submodules: recursive
+
+      - name: Build Docker image
+        run: docker build -t micm -f docker/${{ matrix.dockerfile }} .
+
+      - name: Run tests in container
+        if: matrix.dockerfile != 'Dockerfile.coverage'
+        run: docker run --name test-container -t micm bash -c 'make test ARGS="--rerun-failed --output-on-failure -j8"'
+
+      - name: Run coverage tests in container
+        if: matrix.dockerfile == 'Dockerfile.coverage'
+        run: docker run --name test-container -t micm bash -c 'make coverage ARGS="--rerun-failed --output-on-failure -j8"'
+
+      - name: Copy coverage from container
+        if: matrix.dockerfile == 'Dockerfile.coverage'
+        run: docker cp test-container:build/coverage.info .
+
+      - name: Upload coverage report
+        if: matrix.dockerfile == 'Dockerfile.coverage'
+        uses: codecov/codecov-action@v3
+        with:
+          token: ${{ secrets.CODECOV_TOKEN }}
+          files: coverage.info
\ No newline at end of file
diff --git a/.github/workflows/mac.yml b/.github/workflows/mac.yml
new file mode 100644
index 000000000..9e9bc0eb6
--- /dev/null
+++ b/.github/workflows/mac.yml
@@ -0,0 +1,86 @@
+name: Mac
+
+on: [push, pull_request]
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref || github.run_id }}
+  cancel-in-progress: true
+
+jobs:
+  xcode_macos_12:
+    if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.event.pull_request.base.repo.full_name
+    runs-on: macos-12
+    strategy:
+      matrix:
+        # all available versions of xcode: https://github.com/actions/runner-images/blob/main/images/macos/macos-12-Readme.md#xcode
+        xcode: ['13.1', '14.1']
+        build_type: [Debug, Release]
+    env:
+      DEVELOPER_DIR: /Applications/Xcode_${{ matrix.xcode }}.app/Contents/Developer
+
+    steps:
+      - uses: actions/checkout@v3
+
+      - name: Run Cmake 
+        run: cmake -S . -B build -D CMAKE_BUILD_TYPE=${{ matrix.build_type }}
+
+      - name: Build
+        run: cmake --build build --parallel 10
+
+      - name: Run tests
+        run: |
+          cd build
+          ctest -C ${{ matrix.build_type }} --rerun-failed --output-on-failure . --verbose -j 10
+
+  xcode_macos_13:
+    if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.event.pull_request.base.repo.full_name
+    runs-on: macos-13
+    strategy:
+      matrix:
+        # all available versions of xcode: https://github.com/actions/runner-images/blob/main/images/macos/macos-13-Readme.md#xcode
+        xcode: ['14.1', '15.0']
+        build_type: [Debug, Release]
+    env:
+      DEVELOPER_DIR: /Applications/Xcode_${{ matrix.xcode }}.app/Contents/Developer
+
+    steps:
+      - uses: actions/checkout@v3
+
+      - name: Run Cmake 
+        run: cmake -S . -B build -D CMAKE_BUILD_TYPE=${{ matrix.build_type }}
+
+      - name: Build
+        run: cmake --build build --parallel 10
+
+      - name: Run tests
+        run: |
+          cd build
+          ctest -C ${{ matrix.build_type }} --rerun-failed --output-on-failure . --verbose -j 10
+
+  macos_lateset:
+    if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.event.pull_request.base.repo.full_name
+    runs-on: macos-latest
+    strategy:
+      matrix:
+        compiler:
+          - { cpp: g++-11, c: gcc-11}
+          - { cpp: g++-12, c: gcc-12}
+          - { cpp: clang++, c: clang}
+        build_type: [Debug, Release]
+    env:
+      CC: ${{ matrix.compiler.c }}
+      CXX: ${{ matrix.compiler.cpp }}
+
+    steps:
+      - uses: actions/checkout@v3
+
+      - name: Run Cmake 
+        run: cmake -S . -B build -D CMAKE_BUILD_TYPE=${{ matrix.build_type }}
+
+      - name: Build
+        run: cmake --build build --parallel 10
+
+      - name: Run tests
+        run: |
+          cd build
+          ctest -C ${{ matrix.build_type }} --rerun-failed --output-on-failure . --verbose -j 10
\ No newline at end of file
diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
deleted file mode 100644
index 6196422ef..000000000
--- a/.github/workflows/test.yml
+++ /dev/null
@@ -1,154 +0,0 @@
-name: build
-
-on: [push, pull_request]
-
-jobs:
-  docker-build-and-test:
-    if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.event.pull_request.base.repo.full_name
-    name: Build and Test - ${{ matrix.dockerfile }}
-    runs-on: ubuntu-latest
-    strategy:
-      fail-fast: false
-      matrix:
-        os: [ubuntu-latest]
-        dockerfile:
-          - Dockerfile
-          - Dockerfile.coverage
-          - Dockerfile.llvm
-          - Dockerfile.memcheck
-          - Dockerfile.no_json
-          - Dockerfile.nvhpc
-          - Dockerfile.openmp
-          # - Dockerfile.intel # intel image is too large for GH action
-          # - Dockerfile.mpi
-    steps:
-      - name: Checkout code
-        uses: actions/checkout@v3
-        with:
-          submodules: recursive
-
-      - name: Build Docker image
-        run: docker build -t micm -f docker/${{ matrix.dockerfile }} .
-
-      - name: Run tests in container
-        if: matrix.dockerfile != 'Dockerfile.coverage'
-        run: docker run --name test-container -t micm bash -c 'make test ARGS="--rerun-failed --output-on-failure -j8"'
-
-      - name: Run coverage tests in container
-        if: matrix.dockerfile == 'Dockerfile.coverage'
-        run: docker run --name test-container -t micm bash -c 'make coverage ARGS="--rerun-failed --output-on-failure -j8"'
-
-      - name: Copy coverage from container
-        if: matrix.dockerfile == 'Dockerfile.coverage'
-        run: docker cp test-container:build/coverage.info .
-
-      - name: Upload coverage report
-        if: matrix.dockerfile == 'Dockerfile.coverage'
-        uses: codecov/codecov-action@v3
-        with:
-          token: ${{ secrets.CODECOV_TOKEN }}
-          files: coverage.info
-
-  multiplatform:
-    if: github.event_name == 'pull_request'
-    runs-on: ${{ matrix.os }}
-    strategy:
-      fail-fast: false
-      matrix:
-        os:
-          - macos-latest
-          - ubuntu-latest
-          - windows-latest
-        compiler:
-          - { cpp: g++, c: gcc}
-          - { cpp: clang++, c: clang}
-          - { cpp: cl, c: cl }
-        exclude:
-          - os: windows-latest
-            compiler: { cpp: clang++, c: clang }
-          - os: windows-latest
-            compiler: { cpp: g++, c: gcc }
-          - os: ubuntu-latest
-            compiler: { cpp: cl, c: cl }
-          - os: macos-latest
-            compiler: { cpp: cl, c: cl }
-    env:
-      CC: ${{ matrix.compiler.c }}
-      CXX: ${{ matrix.compiler.cpp }}
-    steps:
-      - name: Checkout code
-        uses: actions/checkout@v3
-
-      - name: Install CMake
-        if: matrix.os == 'windows-latest'
-        run: choco install cmake --installargs 'ADD_CMAKE_TO_PATH=System'
-
-      - name: Install CMake
-        if: matrix.os != 'windows-latest'
-        run: |
-          if [[ "${{ matrix.os }}" == "ubuntu-latest" ]]; then
-            sudo apt-get update
-            sudo apt-get install -y cmake
-          elif [[ "${{ matrix.os }}" == "macos-latest" ]]; then
-            brew install cmake
-          fi
-
-      - name: Configure and build
-        run: |
-          mkdir build
-          cd build
-          cmake ..
-          cmake --build . --parallel 10
-
-      - name: Run tests
-        run: |
-          cd build
-          ctest -C Debug --rerun-failed --output-on-failure . --verbose
-
-  xcode_1:
-    if: github.event_name == 'pull_request'
-    runs-on: macos-12
-    strategy:
-      matrix:
-        xcode: ['13.1', '13.2.1', '13.3.1', '13.4.1', '14.0', '14.0.1', '14.1']
-    env:
-      DEVELOPER_DIR: /Applications/Xcode_${{ matrix.xcode }}.app/Contents/Developer
-
-    steps:
-      - uses: actions/checkout@v3
-
-      - name: Configure and build
-        run: |
-          mkdir build
-          cd build
-          cmake ..
-          cmake --build . --parallel 10
-
-      - name: Run tests
-        run: |
-          cd build
-          ctest --rerun-failed --output-on-failure . --verbose -j 10
-
-  xcode_2:
-    if: github.event_name == 'pull_request'
-    runs-on: macos-13
-    strategy:
-      matrix:
-        xcode: ['14.1', '14.2', '14.3.1', '15.0']
-    env:
-      DEVELOPER_DIR: /Applications/Xcode_${{ matrix.xcode }}.app/Contents/Developer
-
-    steps:
-      - uses: actions/checkout@v3
-
-      - name: Configure and build
-        run: |
-          mkdir build
-          cd build
-          cmake ..
-          cmake --build . --parallel 10
-
-      - name: Run tests
-        run: |
-          cd build
-          ctest --rerun-failed --output-on-failure . --verbose -j 10
\ No newline at end of file
diff --git a/.github/workflows/ubuntu.yml b/.github/workflows/ubuntu.yml
new file mode 100644
index 000000000..3cd9aad7c
--- /dev/null
+++ b/.github/workflows/ubuntu.yml
@@ -0,0 +1,56 @@
+name: Ubuntu
+
+on: [push, pull_request]
+  
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref || github.run_id }}
+  cancel-in-progress: true
+
+jobs:
+  gcc:
+    if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.event.pull_request.base.repo.full_name
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        build_type: [Debug, Release]
+    env:
+      CC: gcc
+      CXX: g++
+    steps:
+      - name: Checkout code
+        uses: actions/checkout@v3
+
+      - name: Run Cmake 
+        run: cmake -S . -B build -D CMAKE_BUILD_TYPE=${{ matrix.build_type }}
+
+      - name: Build
+        run: cmake --build build --parallel 10
+
+      - name: Run tests
+        run: |
+          cd build
+          ctest -C ${{ matrix.build_type }} --rerun-failed --output-on-failure . --verbose -j 10
+
+  clang:
+    if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.event.pull_request.base.repo.full_name
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        build_type: [Debug, Release]
+    env:
+      CC: clang
+      CXX: clang++
+    steps:
+      - name: Checkout code
+        uses: actions/checkout@v3
+
+      - name: Run Cmake 
+        run: cmake -S . -B build -D CMAKE_BUILD_TYPE=${{ matrix.build_type }}
+
+      - name: Build
+        run: cmake --build build --parallel 10
+
+      - name: Run tests
+        run: |
+          cd build
+          ctest -C ${{ matrix.build_type }} --rerun-failed --output-on-failure . --verbose -j 10
\ No newline at end of file
diff --git a/.github/workflows/windows.yml b/.github/workflows/windows.yml
new file mode 100644
index 000000000..f72b4b427
--- /dev/null
+++ b/.github/workflows/windows.yml
@@ -0,0 +1,140 @@
+name: Windows
+
+on: [push, pull_request]
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref || github.run_id }}
+  cancel-in-progress: true
+
+jobs:
+  mingw:
+    if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.event.pull_request.base.repo.full_name
+    runs-on: windows-2019
+    strategy:
+      matrix:
+        architecture: [x64]
+
+    steps:
+      - uses: actions/checkout@v3
+      - name: Set up MinGW
+        uses: egor-tensin/setup-mingw@v2
+        with:
+          platform: ${{ matrix.architecture }}
+          version: 12.2.0 # https://github.com/egor-tensin/setup-mingw/issues/14
+
+      - name: Run Cmake 
+        run: cmake -S . -B build -G "MinGW Makefiles"
+
+      - name: Build
+        run: cmake --build build --parallel 10
+
+      - name: Run tests
+        run: |
+          cd build
+          ctest -C Debug --rerun-failed --output-on-failure . --verbose
+
+  msvc2019:
+    if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.event.pull_request.base.repo.full_name
+    runs-on: windows-2019
+    strategy:
+      matrix:
+        build_type: [Debug, Release]
+        architecture: [Win32, x64]
+
+    steps:
+    - uses: actions/checkout@v3
+
+    - name: Run CMake
+      run: cmake -S . -B build -G "Visual Studio 16 2019" -A ${{ matrix.architecture }}
+      if: matrix.build_type == 'Release'
+
+    - name: Run CMake
+      run: cmake -S . -B build -G "Visual Studio 16 2019" -A ${{ matrix.architecture }}
+      if: matrix.build_type == 'Debug'
+
+    - name: Build
+      run: cmake --build build --config ${{ matrix.build_type }} --parallel 10
+
+    - name: Test
+      run: cd build ; ctest -j 10 -C ${{ matrix.build_type }} --output-on-failure
+
+  msvc2019_latest:
+    if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.event.pull_request.base.repo.full_name
+    runs-on: windows-2019
+
+    steps:
+    - uses: actions/checkout@v3
+    - name: Run CMake
+      run: cmake -S . -B build -G "Visual Studio 16 2019" 
+    - name: Build
+      run: cmake --build build --config Release --parallel 10
+    - name: Test
+      run: cd build ; ctest -j 10 -C Release --output-on-failure
+
+  msvc2022:
+    if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.event.pull_request.base.repo.full_name
+    runs-on: windows-2022
+    strategy:
+      matrix:
+        build_type: [Debug, Release]
+        architecture: [Win32, x64]
+
+    steps:
+    - uses: actions/checkout@v3
+    - name: Run CMake
+      run: cmake -S . -B build -G "Visual Studio 17 2022" -A ${{ matrix.architecture }}
+      if: matrix.build_type == 'Release'
+    - name: Run CMake
+      run: cmake -S . -B build -G "Visual Studio 17 2022" -A ${{ matrix.architecture }}
+      if: matrix.build_type == 'Debug'
+    - name: Build
+      run: cmake --build build --config ${{ matrix.build_type }} --parallel 10
+    - name: Test
+      run: cd build ; ctest -j 10 -C ${{ matrix.build_type }} --output-on-failure
+
+  msvc2022_latest:
+    if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.event.pull_request.base.repo.full_name
+    runs-on: windows-2022
+
+    steps:
+    - uses: actions/checkout@v3
+    - name: Run CMake
+      run: cmake -S . -B build -G "Visual Studio 17 2022"
+    - name: Build
+      run: cmake --build build --config Release --parallel 10
+    - name: Test
+      run: cd build ; ctest -j 10 -C Release --output-on-failure
+
+  clang:
+    if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.event.pull_request.base.repo.full_name
+    runs-on: windows-2019
+    strategy:
+      matrix:
+        version: [11, 12, 13, 14, 15]
+
+    steps:
+      - uses: actions/checkout@v3
+      - name: Install Clang
+        run: curl -fsSL -o LLVM${{ matrix.version }}.exe https://github.com/llvm/llvm-project/releases/download/llvmorg-${{ matrix.version }}.0.0/LLVM-${{ matrix.version }}.0.0-win64.exe ; 7z x LLVM${{ matrix.version }}.exe -y -o"C:/Program Files/LLVM"
+      - name: Run CMake
+        run: cmake -S . -B build -DCMAKE_CXX_COMPILER="C:/Program Files/LLVM/bin/clang++.exe" -G"MinGW Makefiles" -DCMAKE_BUILD_TYPE=Debug
+      - name: Build
+        run: cmake --build build --parallel 10
+      - name: Test
+        run: cd build ; ctest -j 10 -C Debug --exclude-regex "test-unicode" --output-on-failure
+
+  clang-cl-11:
+    if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.event.pull_request.base.repo.full_name
+    runs-on: windows-2019
+    strategy:
+      matrix:
+        architecture: [Win32, x64]
+
+    steps:
+      - uses: actions/checkout@v3
+      - name: Run CMake
+        run: cmake -S . -B build -G "Visual Studio 16 2019" -A ${{ matrix.architecture }} -T ClangCL
+      - name: Build
+        run: cmake --build build --config Debug --parallel 10
+      - name: Test
+        run: cd build ; ctest -j 10 -C Debug --exclude-regex "test-unicode" --output-on-failure
\ No newline at end of file
diff --git a/README.md b/README.md
index 3a255dad6..5b8218eac 100644
--- a/README.md
+++ b/README.md
@@ -4,7 +4,10 @@ MICM Chemistry
 Model Independent Chemical Module. MICM can be used to configure and solve atmospheric chemistry systems.
 
 [![License](https://img.shields.io/github/license/NCAR/micm.svg)](https://github.com/NCAR/micm/blob/master/LICENSE)
-[![CI Status](https://github.com/NCAR/micm/actions/workflows/test.yml/badge.svg)](https://github.com/NCAR/micm/actions/workflows/test.yml)
+[![Docker builds](https://github.com/NCAR/micm/actions/workflows/docker_and_coverage.yml/badge.svg)](https://github.com/NCAR/micm/actions/workflows/docker_and_coverage.yml)
+[![Windows](https://github.com/NCAR/micm/actions/workflows/windows.yml/badge.svg)](https://github.com/NCAR/micm/actions/workflows/windows.yml)
+[![Mac](https://github.com/NCAR/micm/actions/workflows/mac.yml/badge.svg)](https://github.com/NCAR/micm/actions/workflows/mac.yml)
+[![Ubuntu](https://github.com/NCAR/micm/actions/workflows/ubuntu.yml/badge.svg)](https://github.com/NCAR/micm/actions/workflows/ubuntu.yml)
 [![codecov](https://codecov.io/gh/NCAR/micm/branch/main/graph/badge.svg?token=ATGO4DKTMY)](https://codecov.io/gh/NCAR/micm)
 [![DOI](https://zenodo.org/badge/294492778.svg)](https://zenodo.org/badge/latestdoi/294492778)
 

From 7d5730d0a759b51346d0c02f59a3fb6d18e9ceec Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Thu, 12 Oct 2023 16:37:48 -0700
Subject: [PATCH 110/318] update README

---
 README.md | 17 +++++++++--------
 1 file changed, 9 insertions(+), 8 deletions(-)

diff --git a/README.md b/README.md
index 5b8218eac..954cac94b 100644
--- a/README.md
+++ b/README.md
@@ -13,6 +13,10 @@ Model Independent Chemical Module. MICM can be used to configure and solve atmos
 
 Copyright (C) 2018-2023 National Center for Atmospheric Research
 
+> **Note**
+> MICM 3.x.x is part of a refactor and may include breaking changes across minor revision numbers
+and partially implemented features
+
 # Getting Started
 
 ## Installing MICM locally
@@ -41,10 +45,11 @@ If you would later like to uninstall MICM, you can run
 
 ## Options
 
-There are multiple options for running micm. Please [read our docs](https://ncar.github.io/micm/getting_started.html) 
-to learn how to configure these options.
-
-![Options for running micm](docs/source/_static/options.png)
+There are multiple options for running micm. You can use [json](https://github.com/nlohmann/json)
+to configure a solver, [llvm](https://llvm.org/) to JIT-compile
+solvers on CPUs or [cuda](https://developer.nvidia.com/cuda-zone)-based solvers to solve chemistry on GPUs.
+Please [read our docs](https://ncar.github.io/micm/getting_started.html) 
+to learn how to enable these options.
 
 ## Running a MICM Docker container
 
@@ -204,7 +209,3 @@ installation and usage instructions.
 - [Apache 2.0](/LICENSE)
 
 Copyright (C) 2018-2023 National Center for Atmospheric Research
-
-
-> **Note**
-> MICM 3.x.x is part of a refactor and may include breaking changes across minor revision numbers

From dcefba53999371ab557c9f573397646985c88cc7 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Fri, 13 Oct 2023 09:54:25 -0700
Subject: [PATCH 111/318] update Rosenbrock parameters

---
 include/micm/solver/rosenbrock.hpp | 11 ++++++---
 include/micm/solver/rosenbrock.inl | 39 +++++++++++++++++-------------
 test/integration/terminator.hpp    | 18 ++++++++++----
 3 files changed, 42 insertions(+), 26 deletions(-)

diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index b692d1151..99f95af55 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -50,9 +50,11 @@ namespace micm
     double rejection_factor_decrease_{ 0.1 };                     // used to decrease the step after 2 successive rejections
     double safety_factor_{ 0.9 };                                 // safety factor in new step size computation
 
-    double h_min_{ 0 };        // step size min
-    double h_max_{ 0.5 };      // step size max
-    double h_start_{ 0.005 };  // step size start
+    double h_min_{ 0.0 };  // step size min [s]
+    double h_max_{
+      0.0
+    };  // step size max [s] (if zero or greater than the solver time-step, the time-step passed to the solver will be used)
+    double h_start_{ 0.0 };  // step size start [s] (if zero, 1.0e-6 will be used, if greater than h_max, h_max will be used)
 
     // Does the stage i require a new function evaluation (ros_NewF(i)=TRUE)
     // or does it re-use the function evaluation from stage i-1 (ros_NewF(i)=FALSE)
@@ -173,7 +175,8 @@ namespace micm
       uint64_t decompositions{};
       /// @brief The number of linear solvers
       uint64_t solves{};
-      /// @brief The number of times a singular matrix is detected. For now, this will always be zero as we assume the matrix is never singular
+      /// @brief The number of times a singular matrix is detected. For now, this will always be zero as we assume the matrix
+      /// is never singular
       uint64_t singular{};
       /// @brief The cumulative amount of time spent calculating the forcing function
       std::chrono::duration<double, std::nano> total_forcing_time{};
diff --git a/include/micm/solver/rosenbrock.inl b/include/micm/solver/rosenbrock.inl
index 7d1cc6f9b..bdb582fb3 100644
--- a/include/micm/solver/rosenbrock.inl
+++ b/include/micm/solver/rosenbrock.inl
@@ -1,17 +1,20 @@
 // Copyright (C) 2023 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
-#define TIMED_METHOD(assigned_increment, time_it, method, ...) \
-    { \
-      if constexpr (time_it) { \
-          auto start = std::chrono::high_resolution_clock::now(); \
-          method(__VA_ARGS__); \
-          auto end = std::chrono::high_resolution_clock::now(); \
-          assigned_increment += std::chrono::duration_cast<std::chrono::nanoseconds>(end - start); \
-      } else { \
-          method(__VA_ARGS__); \
-      } \
-    } \
+#define TIMED_METHOD(assigned_increment, time_it, method, ...)                                 \
+  {                                                                                            \
+    if constexpr (time_it)                                                                     \
+    {                                                                                          \
+      auto start = std::chrono::high_resolution_clock::now();                                  \
+      method(__VA_ARGS__);                                                                     \
+      auto end = std::chrono::high_resolution_clock::now();                                    \
+      assigned_increment += std::chrono::duration_cast<std::chrono::nanoseconds>(end - start); \
+    }                                                                                          \
+    else                                                                                       \
+    {                                                                                          \
+      method(__VA_ARGS__);                                                                     \
+    }                                                                                          \
+  }
 
 namespace micm
 {
@@ -517,9 +520,9 @@ namespace micm
     MatrixPolicy<double> forcing(Y.size(), Y[0].size(), 0.0);
     MatrixPolicy<double> temp(Y.size(), Y[0].size(), 0.0);
     std::vector<MatrixPolicy<double>> K{};
-
-    parameters_.h_max_ = time_step;
-    parameters_.h_start_ = std::max(parameters_.h_min_, delta_min_);
+    const double h_max = parameters_.h_max_ == 0.0 ? time_step : std::min(time_step, parameters_.h_max_);
+    const double h_start =
+        parameters_.h_start_ == 0.0 ? std::max(parameters_.h_min_, delta_min_) : std::min(h_max, parameters_.h_start_);
 
     stats_.Reset();
     UpdateState(state);
@@ -528,12 +531,14 @@ namespace micm
       K.push_back(MatrixPolicy<double>(Y.size(), Y[0].size(), 0.0));
 
     double present_time = 0.0;
-    double H =
-        std::min(std::max(std::abs(parameters_.h_min_), std::abs(parameters_.h_start_)), std::abs(parameters_.h_max_));
+    double H = std::min(std::max(std::abs(parameters_.h_min_), std::abs(h_start)), std::abs(h_max));
 
     if (std::abs(H) <= 10 * parameters_.round_off_)
       H = delta_min_;
 
+    // TODO: the logic above this point should be moved to the constructor and should return an error
+    //       if the parameters are invalid (e.g., h_min > h_max or h_start > h_max)
+
     bool reject_last_h = false;
     bool reject_more_h = false;
 
@@ -639,7 +644,7 @@ namespace micm
           stats_.accepted += 1;
           present_time = present_time + H;
           Y.AsVector().assign(Ynew.AsVector().begin(), Ynew.AsVector().end());
-          Hnew = std::max(parameters_.h_min_, std::min(Hnew, parameters_.h_max_));
+          Hnew = std::max(parameters_.h_min_, std::min(Hnew, h_max));
           if (reject_last_h)
           {
             // No step size increase after a rejected step
diff --git a/test/integration/terminator.hpp b/test/integration/terminator.hpp
index 9a1c226c7..d417139d5 100644
--- a/test/integration/terminator.hpp
+++ b/test/integration/terminator.hpp
@@ -34,17 +34,21 @@ void TestTerminator(std::size_t number_of_grid_cells)
                              .phase(gas_phase)
                              .rate_constant(micm::UserDefinedRateConstant({ .label_ = "toy_k1" }));
 
-  constexpr double k2 = 1.0e-6;  // 1.0;
+  constexpr double k2 = 1.0;
   micm::Process toy_r2 = micm::Process::create()
                              .reactants({ cl, cl, m })
                              .products({ micm::Yield(cl2, 1.0) })
                              .phase(gas_phase)
                              .rate_constant(micm::ArrheniusRateConstant({ .A_ = k2 }));
 
+  auto solver_params = micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells, true);
+  solver_params.absolute_tolerance_ = 1.0e-20;
+  solver_params.relative_tolerance_ = 1.0e-8;
+  solver_params.max_number_of_steps_ = 100000;
   micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> solver{
     micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
     std::vector<micm::Process>{ toy_r1, toy_r2 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells, true)
+    solver_params
   };
 
   micm::State<MatrixPolicy> state = solver.GetState();
@@ -72,14 +76,18 @@ void TestTerminator(std::size_t number_of_grid_cells)
       double k1 = std::max(
           0.0,
           std::sin(lat) * std::sin(k1_lat_center) + std::cos(lat) * std::cos(k1_lat_center) * std::cos(lon - k1_lon_center));
-      custom_rate_constants["toy_k1"][i_cell] = 1.0e-6;  // k1;
+      custom_rate_constants["toy_k1"][i_cell] = k1;
       state.conditions_[i_cell].temperature_ = 298.0;
       state.conditions_[i_cell].pressure_ = 101300.0;
+      state.conditions_[i_cell].air_density_ = 1.0;
     }
     state.SetCustomRateParameters(custom_rate_constants);
 
     double dt = 30.0;
     auto result = solver.Solve(dt, state);
+
+    EXPECT_EQ(result.state_, micm::SolverState::Converged);
+
     for (std::size_t i_cell = 0; i_cell < number_of_grid_cells; ++i_cell)
     {
       double r = custom_rate_constants["toy_k1"][i_cell] / (4.0 * k2);
@@ -92,9 +100,9 @@ void TestTerminator(std::size_t number_of_grid_cells)
       double cl_f = -l * (cl_i - det + r) * (cl_i + det + r) / (1.0 + e + dt * l * (cl_i + r));
       double cl2_f = -cl_f / 2.0;
       EXPECT_NEAR(
-          result.result_[i_cell][state.variable_map_["Cl"]], cl_i + dt * cl_f, (cl_i + dt * cl_f) * 1.0e-8 + 1.0e-30);
+          result.result_[i_cell][state.variable_map_["Cl"]], cl_i + dt * cl_f, (cl_i + dt * cl_f) * 1.0e-8 + 1.0e-15);
       EXPECT_NEAR(
-          result.result_[i_cell][state.variable_map_["Cl2"]], cl2_i + dt * cl2_f, (cl2_i + dt * cl2_f) * 1.0e-8 + 1.0e-30);
+          result.result_[i_cell][state.variable_map_["Cl2"]], cl2_i + dt * cl2_f, (cl2_i + dt * cl2_f) * 1.0e-8 + 1.0e-15);
     }
   }
 }

From 476e481b8d7dbfd85e9cf6456a08edf73c789db7 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Fri, 13 Oct 2023 14:17:35 -0700
Subject: [PATCH 112/318] add jit terminator test

---
 test/integration/CMakeLists.txt     |  1 +
 test/integration/jit_terminator.cpp | 69 +++++++++++++++++++++++++++++
 test/integration/terminator.cpp     | 35 +++++++++++----
 test/integration/terminator.hpp     | 18 +++-----
 4 files changed, 103 insertions(+), 20 deletions(-)
 create mode 100644 test/integration/jit_terminator.cpp

diff --git a/test/integration/CMakeLists.txt b/test/integration/CMakeLists.txt
index 77ccb7d86..df835627c 100644
--- a/test/integration/CMakeLists.txt
+++ b/test/integration/CMakeLists.txt
@@ -12,4 +12,5 @@ create_standard_test(NAME terminator_integration SOURCES terminator.cpp)
 
 if(ENABLE_LLVM)
   create_standard_test(NAME analytical_jit_rosenbrock_integration SOURCES analytical_jit_rosenbrock.cpp)
+  create_standard_test(NAME jit_terminator_integration SOURCES jit_terminator.cpp)
 endif()
\ No newline at end of file
diff --git a/test/integration/jit_terminator.cpp b/test/integration/jit_terminator.cpp
new file mode 100644
index 000000000..1499054fc
--- /dev/null
+++ b/test/integration/jit_terminator.cpp
@@ -0,0 +1,69 @@
+#include <gtest/gtest.h>
+
+#include <micm/process/process.hpp>
+#include <micm/solver/jit_rosenbrock.hpp>
+#include <micm/system/system.hpp>
+#include <micm/util/sparse_matrix.hpp>
+#include <micm/util/sparse_matrix_vector_ordering.hpp>
+#include <micm/util/vector_matrix.hpp>
+
+#include "terminator.hpp"
+
+template<std::size_t number_of_grid_cells, template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
+void RunTerminatorTest()
+{
+  TestTerminator<
+      MatrixPolicy,
+      micm::JitRosenbrockSolver<
+          MatrixPolicy,
+          SparseMatrixPolicy,
+          micm::JitLinearSolver<number_of_grid_cells, SparseMatrixPolicy>>>(
+      [&](const micm::System& s, const std::vector<micm::Process>& p)
+          -> micm::JitRosenbrockSolver<
+              MatrixPolicy,
+              SparseMatrixPolicy,
+              micm::JitLinearSolver<number_of_grid_cells, SparseMatrixPolicy>>
+      {
+        auto jit{ micm::JitCompiler::create() };
+        if (auto err = jit.takeError())
+        {
+          llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+          EXPECT_TRUE(false);
+        }
+        auto solver_params = micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells, true);
+        solver_params.absolute_tolerance_ = 1.0e-20;
+        solver_params.relative_tolerance_ = 1.0e-8;
+        solver_params.max_number_of_steps_ = 100000;
+        return micm::JitRosenbrockSolver<
+            MatrixPolicy,
+            SparseMatrixPolicy,
+            micm::JitLinearSolver<number_of_grid_cells, SparseMatrixPolicy>>{ jit.get(), s, p, solver_params };
+      },
+      number_of_grid_cells);
+}
+
+template<class T>
+using Group1VectorMatrix = micm::VectorMatrix<T, 1>;
+template<class T>
+using Group2VectorMatrix = micm::VectorMatrix<T, 2>;
+template<class T>
+using Group3VectorMatrix = micm::VectorMatrix<T, 3>;
+template<class T>
+using Group4VectorMatrix = micm::VectorMatrix<T, 4>;
+
+template<class T>
+using Group1SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<1>>;
+template<class T>
+using Group2SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<2>>;
+template<class T>
+using Group3SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<3>>;
+template<class T>
+using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<4>>;
+
+TEST(JitRosenbrockSolver, Terminator)
+{
+  RunTerminatorTest<1, Group1VectorMatrix, Group1SparseVectorMatrix>();
+  RunTerminatorTest<2, Group2VectorMatrix, Group2SparseVectorMatrix>();
+  RunTerminatorTest<3, Group3VectorMatrix, Group3SparseVectorMatrix>();
+  RunTerminatorTest<4, Group4VectorMatrix, Group4SparseVectorMatrix>();
+}
\ No newline at end of file
diff --git a/test/integration/terminator.cpp b/test/integration/terminator.cpp
index 07467b5be..813a37c6c 100644
--- a/test/integration/terminator.cpp
+++ b/test/integration/terminator.cpp
@@ -2,17 +2,36 @@
 
 #include <gtest/gtest.h>
 
+#include <micm/process/process.hpp>
+#include <micm/solver/rosenbrock.hpp>
+#include <micm/system/system.hpp>
 #include <micm/util/matrix.hpp>
 #include <micm/util/sparse_matrix.hpp>
 #include <micm/util/sparse_matrix_vector_ordering.hpp>
 #include <micm/util/vector_matrix.hpp>
 
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+void RunTerminatorTest(std::size_t number_of_grid_cells)
+{
+  TestTerminator<MatrixPolicy, micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>>(
+      [&](const micm::System& s, const std::vector<micm::Process>& p)
+          -> micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
+      {
+        auto solver_params = micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells, true);
+        solver_params.absolute_tolerance_ = 1.0e-20;
+        solver_params.relative_tolerance_ = 1.0e-8;
+        solver_params.max_number_of_steps_ = 100000;
+        return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>{ s, p, solver_params };
+      },
+      number_of_grid_cells);
+}
+
 TEST(RosenbrockSolver, Terminator)
 {
-  TestTerminator<micm::Matrix, micm::SparseMatrix, micm::LinearSolver<double, micm::SparseMatrix>>(1);
-  TestTerminator<micm::Matrix, micm::SparseMatrix, micm::LinearSolver<double, micm::SparseMatrix>>(2);
-  TestTerminator<micm::Matrix, micm::SparseMatrix, micm::LinearSolver<double, micm::SparseMatrix>>(3);
-  TestTerminator<micm::Matrix, micm::SparseMatrix, micm::LinearSolver<double, micm::SparseMatrix>>(4);
+  RunTerminatorTest<micm::Matrix, micm::SparseMatrix, micm::LinearSolver<double, micm::SparseMatrix>>(2);
+  RunTerminatorTest<micm::Matrix, micm::SparseMatrix, micm::LinearSolver<double, micm::SparseMatrix>>(2);
+  RunTerminatorTest<micm::Matrix, micm::SparseMatrix, micm::LinearSolver<double, micm::SparseMatrix>>(3);
+  RunTerminatorTest<micm::Matrix, micm::SparseMatrix, micm::LinearSolver<double, micm::SparseMatrix>>(4);
 }
 
 template<class T>
@@ -35,8 +54,8 @@ using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorO
 
 TEST(RosenbrockSolver, VectorTerminator)
 {
-  TestTerminator<Group1VectorMatrix, Group1SparseVectorMatrix, micm::LinearSolver<double, Group1SparseVectorMatrix>>(1);
-  TestTerminator<Group2VectorMatrix, Group2SparseVectorMatrix, micm::LinearSolver<double, Group2SparseVectorMatrix>>(4);
-  TestTerminator<Group3VectorMatrix, Group3SparseVectorMatrix, micm::LinearSolver<double, Group3SparseVectorMatrix>>(3);
-  TestTerminator<Group4VectorMatrix, Group4SparseVectorMatrix, micm::LinearSolver<double, Group4SparseVectorMatrix>>(2);
+  RunTerminatorTest<Group1VectorMatrix, Group1SparseVectorMatrix, micm::LinearSolver<double, Group1SparseVectorMatrix>>(1);
+  RunTerminatorTest<Group2VectorMatrix, Group2SparseVectorMatrix, micm::LinearSolver<double, Group2SparseVectorMatrix>>(4);
+  RunTerminatorTest<Group3VectorMatrix, Group3SparseVectorMatrix, micm::LinearSolver<double, Group3SparseVectorMatrix>>(3);
+  RunTerminatorTest<Group4VectorMatrix, Group4SparseVectorMatrix, micm::LinearSolver<double, Group4SparseVectorMatrix>>(2);
 }
\ No newline at end of file
diff --git a/test/integration/terminator.hpp b/test/integration/terminator.hpp
index d417139d5..60451ed34 100644
--- a/test/integration/terminator.hpp
+++ b/test/integration/terminator.hpp
@@ -19,8 +19,10 @@
 ///
 /// More details including analytical solution can be found here:
 /// https://github.com/ESCOMP/CAM/blob/8cd44c50fe107c0b93ccd48b61eaa3d10a5b4e2f/src/chemistry/pp_terminator/chemistry.F90#L1-L434
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-void TestTerminator(std::size_t number_of_grid_cells)
+template<template<class> class MatrixPolicy, class OdeSolverPolicy>
+void TestTerminator(
+    const std::function<OdeSolverPolicy(const micm::System&, const std::vector<micm::Process>&)> create_solver,
+    std::size_t number_of_grid_cells)
 {
   auto cl2 = micm::Species("Cl2");
   auto cl = micm::Species("Cl");
@@ -41,16 +43,8 @@ void TestTerminator(std::size_t number_of_grid_cells)
                              .phase(gas_phase)
                              .rate_constant(micm::ArrheniusRateConstant({ .A_ = k2 }));
 
-  auto solver_params = micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells, true);
-  solver_params.absolute_tolerance_ = 1.0e-20;
-  solver_params.relative_tolerance_ = 1.0e-8;
-  solver_params.max_number_of_steps_ = 100000;
-  micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ toy_r1, toy_r2 },
-    solver_params
-  };
-
+  auto solver = create_solver(
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::vector<micm::Process>{ toy_r1, toy_r2 });
   micm::State<MatrixPolicy> state = solver.GetState();
 
   auto get_double = std::bind(std::lognormal_distribution(-2.0, 2.0), std::default_random_engine());

From d03b4faf7f64c93ea2ae6b555cfa7d640ffc60d6 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Fri, 13 Oct 2023 14:43:52 -0700
Subject: [PATCH 113/318] remove third-body species from terminator

---
 test/integration/terminator.hpp   | 13 ++++++-------
 test/unit/system/test_species.cpp |  8 ++++++++
 2 files changed, 14 insertions(+), 7 deletions(-)

diff --git a/test/integration/terminator.hpp b/test/integration/terminator.hpp
index 60451ed34..1a57f475f 100644
--- a/test/integration/terminator.hpp
+++ b/test/integration/terminator.hpp
@@ -15,7 +15,7 @@
 /// @brief A test of the "Terminator" mechanism:
 ///
 /// Cl2 --hv--> 2 Cl
-/// Cl + Cl + M --> Cl2 + M
+/// Cl + Cl --> Cl2
 ///
 /// More details including analytical solution can be found here:
 /// https://github.com/ESCOMP/CAM/blob/8cd44c50fe107c0b93ccd48b61eaa3d10a5b4e2f/src/chemistry/pp_terminator/chemistry.F90#L1-L434
@@ -26,9 +26,8 @@ void TestTerminator(
 {
   auto cl2 = micm::Species("Cl2");
   auto cl = micm::Species("Cl");
-  auto m = micm::Species::ThirdBody();
 
-  micm::Phase gas_phase{ std::vector<micm::Species>{ cl2, cl, m } };
+  micm::Phase gas_phase{ std::vector<micm::Species>{ cl2, cl } };
 
   micm::Process toy_r1 = micm::Process::create()
                              .reactants({ cl2 })
@@ -38,7 +37,7 @@ void TestTerminator(
 
   constexpr double k2 = 1.0;
   micm::Process toy_r2 = micm::Process::create()
-                             .reactants({ cl, cl, m })
+                             .reactants({ cl, cl })
                              .products({ micm::Yield(cl2, 1.0) })
                              .phase(gas_phase)
                              .rate_constant(micm::ArrheniusRateConstant({ .A_ = k2 }));
@@ -71,9 +70,9 @@ void TestTerminator(
           0.0,
           std::sin(lat) * std::sin(k1_lat_center) + std::cos(lat) * std::cos(k1_lat_center) * std::cos(lon - k1_lon_center));
       custom_rate_constants["toy_k1"][i_cell] = k1;
-      state.conditions_[i_cell].temperature_ = 298.0;
-      state.conditions_[i_cell].pressure_ = 101300.0;
-      state.conditions_[i_cell].air_density_ = 1.0;
+      state.conditions_[i_cell].temperature_ = 298.0;  // K
+      state.conditions_[i_cell].pressure_ = 101300.0;  // Pa
+      state.conditions_[i_cell].air_density_ = 42.0;   // mol m-3
     }
     state.SetCustomRateParameters(custom_rate_constants);
 
diff --git a/test/unit/system/test_species.cpp b/test/unit/system/test_species.cpp
index 5adff1b30..dcfab1f89 100644
--- a/test/unit/system/test_species.cpp
+++ b/test/unit/system/test_species.cpp
@@ -22,6 +22,14 @@ TEST(Species, StringAndVectorConstructor)
   EXPECT_EQ(species.properties_["name2 [units2]"], 2.0);
 }
 
+TEST(Species, ThirdBody)
+{
+  micm::Species species = micm::Species::ThirdBody();
+  EXPECT_EQ(species.name_, "M");
+  EXPECT_TRUE(species.IsParameterized());
+  EXPECT_EQ(species.parameterize_({ .air_density_ = 42.4 }), 42.4);
+}
+
 TEST(Species, CopyConstructor)
 {
   {

From 251f6db15bc8ab80dd7aabe1a0fe3d4b5ab635dc Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 15 Oct 2023 09:31:55 -0600
Subject: [PATCH 114/318] Start on new JsonReaderPolicy in camp_config.hpp.

---
 include/micm/configure/camp_config.hpp | 38 ++++++++++++++++++++++++++
 1 file changed, 38 insertions(+)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 9c3007b0f..cb82db4d6 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -15,6 +15,14 @@
 #include <micm/system/species.hpp>
 #include <micm/util/constants.hpp>
 
+#include <micm/process/user_defined_rate_constant.hpp>
+#include <micm/process/arrhenius_rate_constant.hpp>
+#include <micm/process/troe_rate_constant.hpp>
+#include <micm/process/branched_rate_constant.hpp>
+#include <micm/process/surface_rate_constant.hpp>
+#include <micm/process/ternary_chemical_activation_rate_constant.hpp>
+#include <micm/process/tunneling_rate_constant.hpp>
+
 namespace micm
 {
   enum class ConfigParseStatus
@@ -71,5 +79,35 @@ namespace micm
   class JsonReaderPolicy
   {
     using json = nlohmann::json;
+
+    public:
+      std::vector<Species> species_arr_;
+
+      std::vector<UserDefinedRateConstant> user_defined_rate_arr_;
+      std::vector<ArrheniusRateConstant> arrhenius_rate_arr_;
+      std::vector<TroeRateConstant> troe_rate_arr_;
+      std::vector<BranchedRateConstant> branched_rate_arr_;
+      std::vector<SurfaceRateConstant> surface_rate_arr_;
+      std::vector<TernaryChemicalActivationRateConstant> ternary_rate_arr_;
+      std::vector<TunnelingRateConstant> tunneling_rate_arr_;
+
+      // Specific for solver parameters
+      Phase gas_phase_;
+      std::unordered_map<std::string, Phase> phases_;
+      std::vector<Process> processes_;
+
+      // Constants
+      // Configure files
+      static const inline std::string CAMP_CONFIG = "config.json";
+      static const inline std::string SPECIES_CONFIG = "species.json";
+      static const inline std::string MECHANISM_CONFIG = "mechanism.json";
+      static const inline std::string REACTIONS_CONFIG = "reactions.json";
+      static const inline std::string TOLERANCE_CONFIG = "tolerance.json";
+
+      // Common JSON
+      static const inline std::string CAMP_DATA = "camp-data";
+      static const inline std::string CAMP_FILES = "camp-files";
+      static const inline std::string TYPE = "type";
+
   };
 }  // namespace micm

From 84a79e1e1740808499f55ff81dc831200168a852 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 15 Oct 2023 10:03:16 -0600
Subject: [PATCH 115/318] Start on new JsonReaderPolicy in camp_config.hpp.

---
 include/micm/configure/camp_config.hpp | 40 +++++++++++++++++++++++---
 1 file changed, 36 insertions(+), 4 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index cb82db4d6..37d89601c 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -31,6 +31,7 @@ namespace micm
     None,
     InvalidKey,
     UnknownKey,
+    InvalidCAMPFilePath,
     CAMPFilesSectionNotFound,
     CAMPDataSectionNotFound,
     InvalidSpecies,
@@ -47,6 +48,7 @@ namespace micm
       case ConfigParseStatus::None: return "None";
       case ConfigParseStatus::InvalidKey: return "InvalidKey";
       case ConfigParseStatus::UnknownKey: return "UnknownKey";
+      case ConfigParseStatus::InvalidCAMPFilePath: return "InvalidCAMPFilePath";
       case ConfigParseStatus::CAMPFilesSectionNotFound: return "CAMPFilesSectionNotFound";
       case ConfigParseStatus::CAMPDataSectionNotFound: return "CAMPDataSectionNotFound";
       case ConfigParseStatus::InvalidSpecies: return "InvalidSpecies";
@@ -99,15 +101,45 @@ namespace micm
       // Constants
       // Configure files
       static const inline std::string CAMP_CONFIG = "config.json";
-      static const inline std::string SPECIES_CONFIG = "species.json";
-      static const inline std::string MECHANISM_CONFIG = "mechanism.json";
-      static const inline std::string REACTIONS_CONFIG = "reactions.json";
-      static const inline std::string TOLERANCE_CONFIG = "tolerance.json";
 
       // Common JSON
       static const inline std::string CAMP_DATA = "camp-data";
       static const inline std::string CAMP_FILES = "camp-files";
       static const inline std::string TYPE = "type";
 
+      // Functions
+
+      /// @brief Parse configures
+      /// @return True for successful parsing
+      ConfigParseStatus Parse(const std::filesystem::path& config_dir)
+      {
+        std::vector<std::string> camp_files;
+
+        // Look for CAMP config file
+        std::filesystem::path camp_config(config_dir / CAMP_CONFIG);
+        if (std::filesystem::exists(camp_config))
+        {
+          json camp_data = json::parse(std::ifstream(camp_config));
+          if (!camp_data.contains(CAMP_FILES))
+            return ConfigParseStatus::CAMPFilesSectionNotFound;
+
+          for (const auto& element : camp_data[CAMP_FILES])
+          {
+            camp_files.push_back(element.get<std::string>());
+          }
+        }
+        else
+        {
+          return ConfigParseStatus::InvalidCAMPFilePath;
+        }
+
+        // Merge config JSON from CAMP file list
+        for (const auto& camp_file : camp_files)
+        {
+          json config_data = json::parse(std::ifstream(camp_file));
+        }
+
+        return ConfigParseStatus::Success;
+      }
   };
 }  // namespace micm

From f685fa3a154d6a0f444d392852ab3ed9dde410a1 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 15 Oct 2023 10:36:40 -0600
Subject: [PATCH 116/318] Added class SolverConfig to camp_config.hpp.

---
 include/micm/configure/camp_config.hpp   | 19 +++++++++++++++++++
 test/unit/configure/test_camp_config.cpp |  6 +++---
 2 files changed, 22 insertions(+), 3 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 37d89601c..5414fb2df 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -110,6 +110,7 @@ namespace micm
       // Functions
 
       /// @brief Parse configures
+      /// @param config_dir Path to a the configuration directory
       /// @return True for successful parsing
       ConfigParseStatus Parse(const std::filesystem::path& config_dir)
       {
@@ -142,4 +143,22 @@ namespace micm
         return ConfigParseStatus::Success;
       }
   };
+
+  /// @brief Public interface to read and parse config
+  template<class ConfigTypePolicy = JsonReaderPolicy>
+  class SolverConfig : public ConfigTypePolicy
+  {
+    private:
+      ConfigParseStatus last_parse_status_ = ConfigParseStatus::None;
+
+    public:
+      /// @brief Reads and parses configures
+      /// @param config_dir Path to a the configuration directory
+      /// @return an enum indicating the success or failure of the parse
+      [[nodiscard]] ConfigParseStatus ReadAndParse(const std::filesystem::path& config_dir)
+      {
+        last_parse_status_ = this->Parse(config_dir);
+        return last_parse_status_;
+      }
+  };
 }  // namespace micm
diff --git a/test/unit/configure/test_camp_config.cpp b/test/unit/configure/test_camp_config.cpp
index 60c88d4f0..8a650efe7 100644
--- a/test/unit/configure/test_camp_config.cpp
+++ b/test/unit/configure/test_camp_config.cpp
@@ -4,7 +4,7 @@
 
 TEST(SolverConfig, DetectsInvalidConfigFile)
 {
-  // micm::SolverConfig solverConfig{};
-  // auto status = solverConfig.ReadAndParse("not_a_config_file_directory");
-  // EXPECT_EQ(micm::ConfigParseStatus::InvalidSpeciesFilePath, status);
+  micm::SolverConfig solverConfig{};
+  auto status = solverConfig.ReadAndParse("not_a_config_file_directory");
+  EXPECT_EQ(micm::ConfigParseStatus::InvalidCAMPFilePath, status);
 }

From c31d2e2d7e3ddb6bf286ffa50da0c79d5a7a6e1d Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 15 Oct 2023 10:41:37 -0600
Subject: [PATCH 117/318] Added ReadAndParseCAMPFiles test.

---
 test/unit/configure/test_camp_config.cpp | 10 ++++++++++
 1 file changed, 10 insertions(+)

diff --git a/test/unit/configure/test_camp_config.cpp b/test/unit/configure/test_camp_config.cpp
index 8a650efe7..46f06a18e 100644
--- a/test/unit/configure/test_camp_config.cpp
+++ b/test/unit/configure/test_camp_config.cpp
@@ -8,3 +8,13 @@ TEST(SolverConfig, DetectsInvalidConfigFile)
   auto status = solverConfig.ReadAndParse("not_a_config_file_directory");
   EXPECT_EQ(micm::ConfigParseStatus::InvalidCAMPFilePath, status);
 }
+
+TEST(SolverConfig, ReadAndParseCAMPFiles)
+{
+  micm::SolverConfig solverConfig{};
+
+  // Read and parse the CAMP configure file
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_valid");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+}
+

From 7dd63026f3e69135cd01ae3a37f3e27dfa511326 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 15 Oct 2023 10:54:20 -0600
Subject: [PATCH 118/318] Prepend config dir to CAMP files.

---
 include/micm/configure/camp_config.hpp | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 5414fb2df..affef9873 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -137,7 +137,8 @@ namespace micm
         // Merge config JSON from CAMP file list
         for (const auto& camp_file : camp_files)
         {
-          json config_data = json::parse(std::ifstream(camp_file));
+          std::cout << "JsonReaderPolicy.Parse CAMP file" << camp_file << std::endl;
+          json config_data = json::parse(std::ifstream(config_dir / camp_file));
         }
 
         return ConfigParseStatus::Success;

From aef6e2a71144ccc31a66606ef3d5d58c65c596d2 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 15 Oct 2023 11:14:16 -0600
Subject: [PATCH 119/318] Added some debug output.

---
 include/micm/configure/camp_config.hpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index affef9873..bb5288aba 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -139,6 +139,7 @@ namespace micm
         {
           std::cout << "JsonReaderPolicy.Parse CAMP file" << camp_file << std::endl;
           json config_data = json::parse(std::ifstream(config_dir / camp_file));
+          std::cout << config_data.dump(4) << std::endl;
         }
 
         return ConfigParseStatus::Success;

From d04e2f9f0bed9d4b7c8b0b1c35225617efec748a Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 15 Oct 2023 11:52:00 -0600
Subject: [PATCH 120/318] Merge config JSON from CAMP file list.

---
 include/micm/configure/camp_config.hpp | 7 +++++--
 1 file changed, 5 insertions(+), 2 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index bb5288aba..a73fe01e8 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -135,12 +135,15 @@ namespace micm
         }
 
         // Merge config JSON from CAMP file list
+        json config_data;
         for (const auto& camp_file : camp_files)
         {
           std::cout << "JsonReaderPolicy.Parse CAMP file" << camp_file << std::endl;
-          json config_data = json::parse(std::ifstream(config_dir / camp_file));
-          std::cout << config_data.dump(4) << std::endl;
+          json config_subset = json::parse(std::ifstream(config_dir / camp_file));
+          std::copy(config_subset.begin(), config_subset.end(),
+            std::back_inserter(config_data));
         }
+        std::cout << config_data.dump(4) << std::endl;
 
         return ConfigParseStatus::Success;
       }

From 74765718868b44453b0f9448bbe0f3ed60384bf9 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 15 Oct 2023 13:23:35 -0600
Subject: [PATCH 121/318] Iterate JSON objects.

---
 include/micm/configure/camp_config.hpp | 37 ++++++++++++++++++++++++--
 1 file changed, 35 insertions(+), 2 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index a73fe01e8..212bb8426 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -143,9 +143,42 @@ namespace micm
           std::copy(config_subset.begin(), config_subset.end(),
             std::back_inserter(config_data));
         }
-        std::cout << config_data.dump(4) << std::endl;
 
-        return ConfigParseStatus::Success;
+        ConfigParseStatus status;
+
+        status = Configure(config_data);
+
+        return status;
+      }
+
+    private:
+
+      ConfigParseStatus Configure(const json& config_data)
+      {
+        // std::cout << config_data.dump(4) << std::endl;
+
+        ConfigParseStatus status = ConfigParseStatus::None;
+
+        std::vector<json> sections;
+        std::vector<json> objects;
+
+        for (const auto& section : config_data)
+        {
+          sections.push_back(section);
+        }
+
+        for (const auto& section : sections)
+        {
+          for (const auto& object : section)
+          {
+            objects.push_back(object);
+            std::cout << object.dump(4) << std::endl;
+          }
+        }
+
+        status = ConfigParseStatus::Success;
+
+        return status;
       }
   };
 

From c0dcef313dbc009fcb7c2ca814818e10ca4f54d3 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 15 Oct 2023 13:37:52 -0600
Subject: [PATCH 122/318] Check JSON object for TYPE.

---
 include/micm/configure/camp_config.hpp | 22 ++++++++++++++++------
 1 file changed, 16 insertions(+), 6 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 212bb8426..058c1752f 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -159,18 +159,17 @@ namespace micm
 
         ConfigParseStatus status = ConfigParseStatus::None;
 
-        std::vector<json> sections;
         std::vector<json> objects;
 
         for (const auto& section : config_data)
-        {
-          sections.push_back(section);
-        }
-
-        for (const auto& section : sections)
         {
           for (const auto& object : section)
           {
+            if (!ValidateJsonWithKey(object, TYPE))
+            {
+              status = ConfigParseStatus::ObjectTypeNotFound;
+              break;
+            }
             objects.push_back(object);
             std::cout << object.dump(4) << std::endl;
           }
@@ -180,6 +179,17 @@ namespace micm
 
         return status;
       }
+
+      bool ValidateJsonWithKey(const json& object, const std::string& key)
+      {
+        if (!object.contains(key))
+        {
+          std::string msg = "Key " + key + " was not found in the config file";
+          std::cerr << msg << std::endl;
+          return false;
+        }
+        return true;
+      }
   };
 
   /// @brief Public interface to read and parse config

From acfb17b5794b924dace2268359bb2ca8e41af261 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 15 Oct 2023 14:30:01 -0600
Subject: [PATCH 123/318] Check JSON type.

---
 include/micm/configure/camp_config.hpp | 45 ++++++++++++++++++++++++++
 1 file changed, 45 insertions(+)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 058c1752f..609f680b9 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -175,6 +175,51 @@ namespace micm
           }
         }
 
+        for (const auto& object : objects)
+        {
+          std::string type = object[TYPE].get<std::string>();
+
+          if (type == "CHEM_SPEC")
+          {
+          }
+          else if (type == "RELATIVE_TOLERANCE")
+          {
+          }
+          else if (type == "MECHANISM")
+          {
+          }
+          else if (type == "PHOTOLYSIS")
+          {
+          }
+          else if (type == "EMISSION")
+          {
+          }
+          else if (type == "FIRST_ORDER_LOSS")
+          {
+          }
+          else if (type == "ARRHENIUS")
+          {
+          }
+          else if (type == "TROE")
+          {
+          }
+          else if (type == "BRANCHED" || type == "WENNBERG_NO_RO2")
+          {
+          }
+          else if (type == "SURFACE")
+          {
+          }
+          else if (type == "TERNARY_CHEMICAL_ACTIVATION")
+          {
+          }
+          else if (type == "TUNNELING" || type == "WENNBERG_TUNNELING")
+          {
+          }
+
+          if (status != ConfigParseStatus::Success)
+            break;
+        }
+
         status = ConfigParseStatus::Success;
 
         return status;

From 50c45667275ec31902f349130c21d98df479e1bc Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 15 Oct 2023 14:35:17 -0600
Subject: [PATCH 124/318] Save.

---
 include/micm/configure/camp_config.hpp | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 609f680b9..6e8634f21 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -215,6 +215,10 @@ namespace micm
           else if (type == "TUNNELING" || type == "WENNBERG_TUNNELING")
           {
           }
+          else
+          {
+            status = ConfigParseStatus::UnknownKey;
+          }
 
           if (status != ConfigParseStatus::Success)
             break;

From fb41655ebfbe3c420af508a529721f9d7ca64bab Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 15 Oct 2023 17:20:41 -0600
Subject: [PATCH 125/318] Save.

---
 include/micm/configure/camp_config.hpp | 50 ++++++++++++++++++++++++++
 1 file changed, 50 insertions(+)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 6e8634f21..df6dfe904 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -181,6 +181,7 @@ namespace micm
 
           if (type == "CHEM_SPEC")
           {
+            status = ParseChemicalSpecies(object);
           }
           else if (type == "RELATIVE_TOLERANCE")
           {
@@ -239,6 +240,55 @@ namespace micm
         }
         return true;
       }
+
+      ConfigParseStatus ParseChemicalSpecies(const json& object)
+      {
+        // required keys
+        const std::string NAME = "name";
+        std::array<std::string, 1> required_keys = { NAME };
+
+        // Check if it contains the required key(s)
+        for (const auto& key : required_keys)
+        {
+          if (!ValidateJsonWithKey(object, key))
+            return ConfigParseStatus::RequiredKeyNotFound;
+        }
+        std::string name = object[NAME].get<std::string>();
+
+        // Load remaining keys as properties
+        std::map<std::string, double> properties{};
+        for (auto& [key, value] : object.items())
+        {
+          if (value.is_number_float())
+            properties[key] = value;
+        }
+        species_arr_.push_back(Species(name, properties));
+
+        return ConfigParseStatus::Success;
+      }
+
+      ConfigParseStatus ParseRelativeTolerance(const json& object)
+      {
+        return ConfigParseStatus::Success;
+      }
+
+      ConfigParseStatus ParseMechanism(const json& object)
+      {
+        std::vector<std::string> required_keys = { "name", "reactions" };
+        for (const auto& key : required_keys)
+        {
+          if (!ValidateJsonWithKey(object, key))
+            return ConfigParseStatus::RequiredKeyNotFound;
+        }
+        std::vector<json> objects;
+        for (const auto& element : object["reactions"])
+        {
+          objects.push_back(element);
+        }
+
+        return ParseObjectArray(objects);
+      }
+
   };
 
   /// @brief Public interface to read and parse config

From 5bbf7b78eeceb6d3400b195ca3bfe8044072784c Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Sun, 15 Oct 2023 17:25:52 -0600
Subject: [PATCH 126/318] Save.

---
 include/micm/configure/camp_config.hpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index df6dfe904..c44cb7db0 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -286,7 +286,7 @@ namespace micm
           objects.push_back(element);
         }
 
-        return ParseObjectArray(objects);
+        // return ParseObjectArray(objects);
       }
 
   };

From a4ce2eb82f97ab8bf893c3d2e5c68b70d1d4f33c Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 16 Oct 2023 07:49:58 -0600
Subject: [PATCH 127/318] Added method ParseObjectArray.

---
 include/micm/configure/camp_config.hpp | 10 +++++++++-
 1 file changed, 9 insertions(+), 1 deletion(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index c44cb7db0..cb17519e4 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -156,7 +156,6 @@ namespace micm
       ConfigParseStatus Configure(const json& config_data)
       {
         // std::cout << config_data.dump(4) << std::endl;
-
         ConfigParseStatus status = ConfigParseStatus::None;
 
         std::vector<json> objects;
@@ -175,6 +174,15 @@ namespace micm
           }
         }
 
+        status = ParseObjectArray(objects);
+
+        return status;
+      }
+
+      ConfigParseStatus ParseObjectArray(const std::vector<json>& objects)
+      {
+        ConfigParseStatus status = ConfigParseStatus::None;
+
         for (const auto& object : objects)
         {
           std::string type = object[TYPE].get<std::string>();

From b9fb27a8ab5cb900550b2928e12af6d1ae2862de Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 16 Oct 2023 08:33:58 -0600
Subject: [PATCH 128/318] Added method ParseObjectArray.

---
 include/micm/configure/camp_config.hpp | 20 +++++++++++---------
 1 file changed, 11 insertions(+), 9 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index cb17519e4..00c7e62b3 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -164,13 +164,7 @@ namespace micm
         {
           for (const auto& object : section)
           {
-            if (!ValidateJsonWithKey(object, TYPE))
-            {
-              status = ConfigParseStatus::ObjectTypeNotFound;
-              break;
-            }
             objects.push_back(object);
-            std::cout << object.dump(4) << std::endl;
           }
         }
 
@@ -185,8 +179,16 @@ namespace micm
 
         for (const auto& object : objects)
         {
+          if (!ValidateJsonWithKey(object, TYPE))
+          {
+            status = ConfigParseStatus::ObjectTypeNotFound;
+            break;
+          }
           std::string type = object[TYPE].get<std::string>();
 
+          std::cout << type << std::endl;
+          std::cout << object.dump(4) << std::endl;
+
           if (type == "CHEM_SPEC")
           {
             status = ParseChemicalSpecies(object);
@@ -229,8 +231,8 @@ namespace micm
             status = ConfigParseStatus::UnknownKey;
           }
 
-          if (status != ConfigParseStatus::Success)
-            break;
+          // if (status != ConfigParseStatus::Success)
+          //   break;
         }
 
         status = ConfigParseStatus::Success;
@@ -294,7 +296,7 @@ namespace micm
           objects.push_back(element);
         }
 
-        // return ParseObjectArray(objects);
+        return ParseObjectArray(objects);
       }
 
   };

From 67bcea35b8ef4258678472331c6a2f6989d49474 Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Mon, 16 Oct 2023 08:51:17 -0600
Subject: [PATCH 129/318] Call ParseMechanism for MECHANISM type.

---
 include/micm/configure/camp_config.hpp | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 00c7e62b3..bed3f40b2 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -195,9 +195,11 @@ namespace micm
           }
           else if (type == "RELATIVE_TOLERANCE")
           {
+            status = ParseRelativeTolerance(object);
           }
           else if (type == "MECHANISM")
           {
+            status = ParseMechanism(object);
           }
           else if (type == "PHOTOLYSIS")
           {

From 8a75e3d3d489fc20fff8ce952706f90a407003c2 Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Mon, 16 Oct 2023 09:08:19 -0600
Subject: [PATCH 130/318] Restored ParseReactants and ParseProducts.

---
 include/micm/configure/camp_config.hpp | 34 ++++++++++++++++++++++++++
 1 file changed, 34 insertions(+)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index bed3f40b2..6d618feb3 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -301,6 +301,40 @@ namespace micm
         return ParseObjectArray(objects);
       }
 
+      std::vector<Species> ParseReactants(const json& object)
+      {
+        const std::string QTY = "qty";
+        std::vector<Species> reactants;
+        for (auto& [key, value] : object.items())
+        {
+          std::size_t qty = 1;
+          if (value.contains(QTY))
+            qty = value[QTY];
+          for (std::size_t i = 0; i < qty; ++i)
+            reactants.push_back(Species(key));
+        }
+        return reactants;
+      }
+
+      std::vector<std::pair<Species, double>> ParseProducts(const json& object)
+      {
+        const std::string YIELD = "yield";
+        constexpr double DEFAULT_YEILD = 1.0;
+        std::vector<std::pair<Species, double>> products;
+        for (auto& [key, value] : object.items())
+        {
+          if (value.contains(YIELD))
+          {
+            products.push_back(std::make_pair(Species(key), value[YIELD]));
+          }
+          else
+          {
+            products.push_back(std::make_pair(Species(key), DEFAULT_YEILD));
+          }
+        }
+        return products;
+      }
+
   };
 
   /// @brief Public interface to read and parse config

From dc289e1f2e98264f4b6836436f768bcecd4e9783 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 16 Oct 2023 09:26:04 -0600
Subject: [PATCH 131/318] Restored more reaction type parsers.

---
 include/micm/configure/camp_config.hpp | 137 +++++++++++++++++++++++++
 1 file changed, 137 insertions(+)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 6d618feb3..31b29b890 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -203,15 +203,19 @@ namespace micm
           }
           else if (type == "PHOTOLYSIS")
           {
+            status = ParsePhotolysis(object);
           }
           else if (type == "EMISSION")
           {
+            status = ParseEmission(object);
           }
           else if (type == "FIRST_ORDER_LOSS")
           {
+            status = ParseFirstOrderLoss(object);
           }
           else if (type == "ARRHENIUS")
           {
+            status = ParseArrhenius(object);
           }
           else if (type == "TROE")
           {
@@ -335,6 +339,139 @@ namespace micm
         return products;
       }
 
+      ConfigParseStatus ParsePhotolysis(const json& object)
+      {
+        const std::string REACTANTS = "reactants";
+        const std::string PRODUCTS = "products";
+        const std::string MUSICA_NAME = "MUSICA name";
+
+        for (const auto& key : { REACTANTS, PRODUCTS, MUSICA_NAME })
+        {
+          if (!ValidateJsonWithKey(object, key))
+            return ConfigParseStatus::RequiredKeyNotFound;
+        }
+
+        auto reactants = ParseReactants(object[REACTANTS]);
+        auto products = ParseProducts(object[PRODUCTS]);
+
+        std::string name = "PHOTO." + object[MUSICA_NAME].get<std::string>();
+
+        user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
+
+        std::unique_ptr<UserDefinedRateConstant> rate_ptr =
+          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
+        processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+
+        return ConfigParseStatus::Success;
+      }
+
+      ConfigParseStatus ParseEmission(const json& object)
+      {
+        const std::string SPECIES = "species";
+        const std::string MUSICA_NAME = "MUSICA name";
+        for (const auto& key : { SPECIES, MUSICA_NAME })
+        {
+          if (!ValidateJsonWithKey(object, key))
+            return ConfigParseStatus::RequiredKeyNotFound;
+        }
+
+        std::string species = object["species"].get<std::string>();
+        json reactants_object{};
+        json products_object{};
+        products_object[species] = { { "YIELD", 1.0 } };
+        auto reactants = ParseReactants(reactants_object);
+        auto products = ParseProducts(products_object);
+
+        std::string name = "EMIS." + object[MUSICA_NAME].get<std::string>();
+
+        user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
+
+        std::unique_ptr<UserDefinedRateConstant> rate_ptr =
+          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
+        processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+
+        return ConfigParseStatus::Success;
+      }
+
+      ConfigParseStatus ParseFirstOrderLoss(const json& object)
+      {
+        const std::string SPECIES = "species";
+        const std::string MUSICA_NAME = "MUSICA name";
+        for (const auto& key : { SPECIES, MUSICA_NAME })
+        {
+          if (!ValidateJsonWithKey(object, key))
+            return ConfigParseStatus::RequiredKeyNotFound;
+        }
+
+        std::string species = object["species"].get<std::string>();
+        json reactants_object{};
+        json products_object{};
+        reactants_object[species] = { {} };
+        auto reactants = ParseReactants(reactants_object);
+        auto products = ParseProducts(products_object);
+
+        std::string name = "LOSS." + object[MUSICA_NAME].get<std::string>();
+
+        user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
+
+        std::unique_ptr<UserDefinedRateConstant> rate_ptr =
+          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
+        processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+
+        return ConfigParseStatus::Success;
+      }
+
+      ConfigParseStatus ParseArrhenius(const json& object)
+      {
+        const std::string REACTANTS = "reactants";
+        const std::string PRODUCTS = "products";
+
+        // Check required json objects exist
+        for (const auto& key : { REACTANTS, PRODUCTS })
+        {
+          if (!ValidateJsonWithKey(object, key))
+            return ConfigParseStatus::RequiredKeyNotFound;
+        }
+
+        auto reactants = ParseReactants(object[REACTANTS]);
+        auto products = ParseProducts(object[PRODUCTS]);
+
+        ArrheniusRateConstantParameters parameters;
+        if (object.contains("A"))
+        {
+          parameters.A_ = object["A"].get<double>();
+        }
+        if (object.contains("B"))
+        {
+          parameters.B_ = object["B"].get<double>();
+        }
+        if (object.contains("C"))
+        {
+          parameters.C_ = object["C"].get<double>();
+        }
+        if (object.contains("D"))
+        {
+          parameters.D_ = object["D"].get<double>();
+        }
+        if (object.contains("E"))
+        {
+          parameters.E_ = object["E"].get<double>();
+        }
+        if (object.contains("Ea"))
+        {
+          // Calculate 'C' using 'Ea'
+          parameters.C_ = -1 * object["Ea"].get<double>() / BOLTZMANN_CONSTANT;
+        }
+
+        arrhenius_rate_arr_.push_back(ArrheniusRateConstant(parameters));
+ 
+        std::unique_ptr<ArrheniusRateConstant> rate_ptr = std::make_unique<ArrheniusRateConstant>(parameters);
+
+        processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+
+        return ConfigParseStatus::Success;
+      }
+
   };
 
   /// @brief Public interface to read and parse config

From 47bdc7663cbbbccc142221a92725459e63a36cc3 Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Mon, 16 Oct 2023 09:39:22 -0600
Subject: [PATCH 132/318] Restored more reaction type parsers.

---
 include/micm/configure/camp_config.hpp | 102 +++++++++++++++++++++++++
 1 file changed, 102 insertions(+)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 31b29b890..0b9344e2f 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -219,9 +219,11 @@ namespace micm
           }
           else if (type == "TROE")
           {
+            status = ParseTroe(object);
           }
           else if (type == "BRANCHED" || type == "WENNBERG_NO_RO2")
           {
+            status = ParseBranched(object);
           }
           else if (type == "SURFACE")
           {
@@ -472,6 +474,106 @@ namespace micm
         return ConfigParseStatus::Success;
       }
 
+      ConfigParseStatus ParseTroe(const json& object)
+      {
+        const std::string REACTANTS = "reactants";
+        const std::string PRODUCTS = "products";
+
+        // Check required json objects exist
+        for (const auto& key : { REACTANTS, PRODUCTS })
+        {
+          if (!ValidateJsonWithKey(object, key))
+            return ConfigParseStatus::RequiredKeyNotFound;
+        }
+
+        auto reactants = ParseReactants(object[REACTANTS]);
+        auto products = ParseProducts(object[PRODUCTS]);
+
+        TroeRateConstantParameters parameters;
+        if (object.contains("k0_A"))
+        {
+          parameters.k0_A_ = object["k0_A"].get<double>();
+        }
+        if (object.contains("k0_B"))
+        {
+          parameters.k0_B_ = object["k0_B"].get<double>();
+        }
+        if (object.contains("k0_C"))
+        {
+          parameters.k0_C_ = object["k0_C"].get<double>();
+        }
+        if (object.contains("kinf_A"))
+        {
+          parameters.kinf_A_ = object["kinf_A"].get<double>();
+        }
+        if (object.contains("kinf_B"))
+        {
+          parameters.kinf_B_ = object["kinf_B"].get<double>();
+        }
+        if (object.contains("kinf_C"))
+        {
+          parameters.kinf_C_ = object["kinf_C"].get<double>();
+        }
+        if (object.contains("Fc"))
+        {
+          parameters.Fc_ = object["Fc"].get<double>();
+        }
+        if (object.contains("N"))
+        {
+          parameters.N_ = object["N"].get<double>();
+        }
+
+        troe_rate_arr_.push_back(TroeRateConstant(parameters));
+
+        std::unique_ptr<TroeRateConstant> rate_ptr = std::make_unique<TroeRateConstant>(parameters);
+
+        processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+
+        return ConfigParseStatus::Success;
+      }
+
+      ConfigParseStatus ParseBranched(const json& object)
+      {
+        const std::string REACTANTS = "reactants";
+        const std::string ALKOXY_PRODUCTS = "alkoxy products";
+        const std::string NITRATE_PRODUCTS = "nitrate products";
+        const std::string X = "X";
+        const std::string Y = "Y";
+        const std::string A0 = "a0";
+        const std::string N = "n";
+
+        // Check required json objects exist
+        for (const auto& key : { REACTANTS, ALKOXY_PRODUCTS, NITRATE_PRODUCTS, X, Y, A0, N })
+        {
+          if (!ValidateJsonWithKey(object, key))
+            return ConfigParseStatus::RequiredKeyNotFound;
+        }
+
+        auto reactants = ParseReactants(object[REACTANTS]);
+        auto alkoxy_products = ParseProducts(object[ALKOXY_PRODUCTS]);
+        auto nitrate_products = ParseProducts(object[NITRATE_PRODUCTS]);
+
+        BranchedRateConstantParameters parameters;
+        parameters.X_ = object[X].get<double>();
+        parameters.Y_ = object[Y].get<double>();
+        parameters.a0_ = object[A0].get<double>();
+        parameters.n_ = object[N].get<int>();
+
+        // Alkoxy branch
+        parameters.branch_ = BranchedRateConstantParameters::Branch::Alkoxy;
+        branched_rate_arr_.push_back(BranchedRateConstant(parameters));
+        std::unique_ptr<BranchedRateConstant> rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
+        processes_.push_back(Process(reactants, alkoxy_products, std::move(rate_ptr), gas_phase_));
+
+        // Nitrate branch
+        parameters.branch_ = BranchedRateConstantParameters::Branch::Nitrate;
+        branched_rate_arr_.push_back(BranchedRateConstant(parameters));
+        rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
+        processes_.push_back(Process(reactants, nitrate_products, std::move(rate_ptr), gas_phase_));
+
+        return ConfigParseStatus::Success;
+      }
+
   };
 
   /// @brief Public interface to read and parse config

From 0ebc729932d1d4b8e2df19a47be9b6c3404f5904 Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Mon, 16 Oct 2023 09:58:05 -0600
Subject: [PATCH 133/318] Restored ParseSurface.

---
 include/micm/configure/camp_config.hpp | 44 ++++++++++++++++++++++++++
 1 file changed, 44 insertions(+)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 0b9344e2f..a7b91b13d 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -227,6 +227,7 @@ namespace micm
           }
           else if (type == "SURFACE")
           {
+            status = ParseSurface(object);
           }
           else if (type == "TERNARY_CHEMICAL_ACTIVATION")
           {
@@ -574,6 +575,49 @@ namespace micm
         return ConfigParseStatus::Success;
       }
 
+      ConfigParseStatus ParseSurface(const json& object)
+      {
+        const std::string REACTANTS = "gas-phase reactant";
+        const std::string PRODUCTS = "gas-phase products";
+        const std::string MUSICA_NAME = "MUSICA name";
+        const std::string PROBABILITY = "reaction probability";
+        for (const auto& key : { REACTANTS, PRODUCTS, MUSICA_NAME })
+        {
+          if (!ValidateJsonWithKey(object, key))
+            return ConfigParseStatus::RequiredKeyNotFound;
+        }
+
+        std::string species_name = object[REACTANTS].get<std::string>();
+        json reactants_object{};
+        reactants_object[species_name] = { {} };
+        auto reactants = ParseReactants(reactants_object);
+        auto products = ParseProducts(object[PRODUCTS]);
+
+        Species reactant_species = Species("");
+        for (auto& species : species_arr_)
+        {
+          if (species.name_ == species_name)
+          {
+            reactant_species = species;
+            break;
+          }
+        }
+        SurfaceRateConstantParameters parameters{ .label_ = "SURF." + object[MUSICA_NAME].get<std::string>(),
+                                                  .species_ = reactant_species };
+
+        if (object.contains(PROBABILITY))
+        {
+          parameters.reaction_probability_ = object[PROBABILITY].get<double>();
+        }
+
+        surface_rate_arr_.push_back(SurfaceRateConstant(parameters));
+
+        std::unique_ptr<SurfaceRateConstant> rate_ptr = std::make_unique<SurfaceRateConstant>(parameters);
+        processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+
+        return ConfigParseStatus::Success;
+      }
+
   };
 
   /// @brief Public interface to read and parse config

From bd96286f01a4f49b1b78be4b7a18f881f9c3374c Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 16 Oct 2023 10:11:03 -0600
Subject: [PATCH 134/318] Save.

---
 include/micm/configure/camp_config.hpp | 104 ++++++++++++++++++++++++-
 1 file changed, 100 insertions(+), 4 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index a7b91b13d..4c73ea1e2 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -231,21 +231,21 @@ namespace micm
           }
           else if (type == "TERNARY_CHEMICAL_ACTIVATION")
           {
+            status = ParseTernaryChemicalActivation(object);
           }
           else if (type == "TUNNELING" || type == "WENNBERG_TUNNELING")
           {
+            status = ParseTunneling(object);
           }
           else
           {
             status = ConfigParseStatus::UnknownKey;
           }
 
-          // if (status != ConfigParseStatus::Success)
-          //   break;
+          if (status != ConfigParseStatus::Success)
+            break;
         }
 
-        status = ConfigParseStatus::Success;
-
         return status;
       }
 
@@ -618,6 +618,102 @@ namespace micm
         return ConfigParseStatus::Success;
       }
 
+      ConfigParseStatus ParseTernaryChemicalActivation(const json& object)
+      {
+        const std::string REACTANTS = "reactants";
+        const std::string PRODUCTS = "products";
+
+        // Check required json objects exist
+        for (const auto& key : { REACTANTS, PRODUCTS })
+        {
+          if (!ValidateJsonWithKey(object, key))
+            return ConfigParseStatus::RequiredKeyNotFound;
+        }
+
+        auto reactants = ParseReactants(object[REACTANTS]);
+        auto products = ParseProducts(object[PRODUCTS]);
+
+        TernaryChemicalActivationRateConstantParameters parameters;
+        if (object.contains("k0_A"))
+        {
+          parameters.k0_A_ = object["k0_A"].get<double>();
+        }
+        if (object.contains("k0_B"))
+        {
+          parameters.k0_B_ = object["k0_B"].get<double>();
+        }
+        if (object.contains("k0_C"))
+        {
+          parameters.k0_C_ = object["k0_C"].get<double>();
+        }
+        if (object.contains("kinf_A"))
+        {
+          parameters.kinf_A_ = object["kinf_A"].get<double>();
+        }
+        if (object.contains("kinf_B"))
+        {
+          parameters.kinf_B_ = object["kinf_B"].get<double>();
+        }
+        if (object.contains("kinf_C"))
+        {
+          parameters.kinf_C_ = object["kinf_C"].get<double>();
+        }
+        if (object.contains("Fc"))
+        {
+          parameters.Fc_ = object["Fc"].get<double>();
+        }
+        if (object.contains("N"))
+        {
+          parameters.N_ = object["N"].get<double>();
+        }
+
+        ternary_rate_arr_.push_back(TernaryChemicalActivationRateConstant(parameters));
+
+        std::unique_ptr<TernaryChemicalActivationRateConstant> rate_ptr =
+          std::make_unique<TernaryChemicalActivationRateConstant>(parameters);
+
+        processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+
+        return ConfigParseStatus::Success;
+      }
+
+      ConfigParseStatus ParseTunneling(const json& object)
+      {
+        const std::string REACTANTS = "reactants";
+        const std::string PRODUCTS = "products";
+
+        // Check required json objects exist
+        for (const auto& key : { REACTANTS, PRODUCTS })
+        {
+          if (!ValidateJsonWithKey(object, key))
+            return ConfigParseStatus::RequiredKeyNotFound;
+        }
+
+        auto reactants = ParseReactants(object[REACTANTS]);
+        auto products = ParseProducts(object[PRODUCTS]);
+
+        TunnelingRateConstantParameters parameters;
+        if (object.contains("A"))
+        {
+          parameters.A_ = object["A"].get<double>();
+        }
+        if (object.contains("B"))
+        {
+          parameters.B_ = object["B"].get<double>();
+        }
+        if (object.contains("C"))
+        {
+          parameters.C_ = object["C"].get<double>();
+        }
+
+        tunneling_rate_arr_.push_back(TunnelingRateConstant(parameters));
+
+        std::unique_ptr<TunnelingRateConstant> rate_ptr = std::make_unique<TunnelingRateConstant>(parameters);
+
+        processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+
+        return ConfigParseStatus::Success;
+      }
   };
 
   /// @brief Public interface to read and parse config

From 164fbf1e82f1538108d58aa35225bd591913f736 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 16 Oct 2023 10:29:22 -0600
Subject: [PATCH 135/318] Restored complete set of config parser unit tests.

---
 include/micm/configure/camp_config.hpp   |   3 +
 test/unit/configure/test_camp_config.cpp | 267 ++++++++++++++++++++++-
 2 files changed, 268 insertions(+), 2 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 4c73ea1e2..74ab9ab09 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -148,6 +148,9 @@ namespace micm
 
         status = Configure(config_data);
 
+        // Assign the parsed 'Species' to 'Phase'
+        gas_phase_ = Phase(species_arr_);
+
         return status;
       }
 
diff --git a/test/unit/configure/test_camp_config.cpp b/test/unit/configure/test_camp_config.cpp
index 46f06a18e..c9e5b7e4d 100644
--- a/test/unit/configure/test_camp_config.cpp
+++ b/test/unit/configure/test_camp_config.cpp
@@ -1,12 +1,12 @@
 #include <gtest/gtest.h>
 
-#include <micm/configure/camp_config.hpp>
+#include <micm/configure/solver_config.hpp>
 
 TEST(SolverConfig, DetectsInvalidConfigFile)
 {
   micm::SolverConfig solverConfig{};
   auto status = solverConfig.ReadAndParse("not_a_config_file_directory");
-  EXPECT_EQ(micm::ConfigParseStatus::InvalidCAMPFilePath, status);
+  EXPECT_EQ(micm::ConfigParseStatus::InvalidSpeciesFilePath, status);
 }
 
 TEST(SolverConfig, ReadAndParseCAMPFiles)
@@ -18,3 +18,266 @@ TEST(SolverConfig, ReadAndParseCAMPFiles)
   EXPECT_EQ(micm::ConfigParseStatus::Success, status);
 }
 
+TEST(SolverConfig, DetectsInvalidCAMPConfigFile)
+{
+  micm::SolverConfig solverConfig{};
+
+  // Read and parse the CAMP configure file
+  micm::ConfigParseStatus status;
+  status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_invalid");
+  EXPECT_EQ(micm::ConfigParseStatus::InvalidCAMPFileCount, status);
+
+  status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_no_files_key");
+  EXPECT_EQ(micm::ConfigParseStatus::CAMPFilesSectionNotFound, status);
+}
+
+TEST(SolverConfig, ReadAndParseSystemObject)
+{
+  micm::SolverConfig solverConfig;
+
+  // Read and parse the configure files
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/chapman");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+
+  // Get solver parameters ('System', the collection of 'Process')
+  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
+
+  // Check 'gas_phase' in 'System'
+  EXPECT_EQ(solver_params.system_.gas_phase_.species_.size(), 9);
+
+  // Check 'phases' in 'System'
+  EXPECT_EQ(solver_params.system_.phases_.size(), 0);
+
+  // Check 'name' and 'properties' in 'Species'
+  std::vector<std::pair<std::string, short>> species_name_and_num_properties = {
+    std::make_pair("M", 0),   std::make_pair("Ar", 1), std::make_pair("CO2", 1),
+    std::make_pair("H2O", 1), std::make_pair("N2", 1), std::make_pair("O1D", 1),
+    std::make_pair("O", 1),   std::make_pair("O2", 1), std::make_pair("O3", 1)
+  };
+
+  short idx = 0;
+  for (const auto& s : solver_params.system_.gas_phase_.species_)
+  {
+    EXPECT_EQ(s.name_, species_name_and_num_properties[idx].first);
+    EXPECT_EQ(s.properties_.size(), species_name_and_num_properties[idx].second);
+    idx++;
+  }
+}
+
+TEST(SolverConfig, ReadAndParseProcessObjects)
+{
+  micm::SolverConfig<micm::JsonReaderPolicy> solverConfig;
+
+  // Read and parse the configure files
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/chapman");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+
+  // Get solver parameters ('System', the collection of 'Process')
+  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
+
+  auto& process_vector = solver_params.processes_;
+
+  // Check the number of 'Process' created
+  EXPECT_EQ(process_vector.size(), 15);
+
+  // Check the number of 'reactants' and 'products' in each 'Process'
+  // Check 'yield' value for the first product and the number of 'spieces in 'phase' in each 'Process'
+  int num_reactants_in_each_process[] = { 1, 1, 1, 2, 2, 2, 3, 0, 0, 0, 1, 1, 1, 1, 1 };
+  int num_products_in_each_process[] = { 1, 2, 2, 2, 2, 1, 2, 1, 1, 1, 0, 0, 0, 0, 0 };
+  double yield_value_of_first_product_in_each_process[] = { 2.0, 1.0, 1.0, 1.0, 1.0, 2.0, 1.0, 1.0,
+                                                            1.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0 };
+  int num_phase_in_each_process = 9;
+
+  short idx = 0;
+  for (const auto& p : process_vector)
+  {
+    EXPECT_EQ(p.reactants_.size(), num_reactants_in_each_process[idx]);
+    EXPECT_EQ(p.products_.size(), num_products_in_each_process[idx]);
+    if (num_products_in_each_process[idx] > 0)
+      EXPECT_EQ(p.products_[0].second, yield_value_of_first_product_in_each_process[idx]);
+    EXPECT_EQ(p.phase_.species_.size(), num_phase_in_each_process);
+    idx++;
+  }
+
+  // Check the parameters for 'ArrheniusRateConstant'
+  micm::ArrheniusRateConstant* arrhenius_rate_const = nullptr;
+  double A_param[] = { 2.15e-11, 3.3e-11, 8.0e-12, 6.0e-34 };
+  double B_param[] = { 0.0, 0.0, 0.0, 2.4 };
+  double C_param[] = { 110.0, 55.0, -2060.00, 0.0 };
+  double D_param[] = { 300.0, 300.0, 300.0, 300.0 };
+  double E_param[] = { 0.0, 0.0, 0.0, 0.0 };
+
+  for (short i = 3; i < 7; i++)
+  {
+    arrhenius_rate_const = dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[i].rate_constant_.get());
+
+    EXPECT_TRUE(arrhenius_rate_const != nullptr);
+    EXPECT_EQ(arrhenius_rate_const->parameters_.A_, A_param[i - 3]);
+    EXPECT_EQ(arrhenius_rate_const->parameters_.B_, B_param[i - 3]);
+    EXPECT_EQ(arrhenius_rate_const->parameters_.C_, C_param[i - 3]);
+    EXPECT_EQ(arrhenius_rate_const->parameters_.D_, D_param[i - 3]);
+    EXPECT_EQ(arrhenius_rate_const->parameters_.E_, E_param[i - 3]);
+  }
+
+  // Check the number of custom parameters of 'rate constant' in each 'Process'
+  std::vector<std::vector<std::string>> custom_rate_labels = { { "PHOTO.O2_1" },
+                                                               { "PHOTO.O3_1" },
+                                                               { "PHOTO.O3_2" },
+                                                               {},
+                                                               {},
+                                                               {},
+                                                               {},
+                                                               { "EMIS.O1D" },
+                                                               { "EMIS.O" },
+                                                               { "EMIS.O3" },
+                                                               { "LOSS.N2" },
+                                                               { "LOSS.O2" },
+                                                               { "LOSS.CO2" },
+                                                               { "LOSS.Ar" },
+                                                               { "LOSS.H2O" } };
+
+  // check photlysis, emissions, and loss reaction labels
+  idx = 0;
+  std::vector<micm::Process>::iterator it;
+  for (it = solver_params.processes_.begin(); it != solver_params.processes_.end(); it++, idx++)
+  {
+    EXPECT_EQ(it->rate_constant_->SizeCustomParameters(), custom_rate_labels[idx].size());
+    for (std::size_t i = 0; i < custom_rate_labels[idx].size(); ++i)
+      EXPECT_EQ(it->rate_constant_->CustomParameters()[i], custom_rate_labels[idx][i]);
+  }
+}
+
+TEST(SolverConfig, GettingSolverParamsThrowsExceptionWithFailedParsing)
+{
+  micm::SolverConfig solverConfig;
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("not_a_config_file_directory");
+  EXPECT_NE(micm::ConfigParseStatus::Success, status);
+  EXPECT_ANY_THROW(solverConfig.GetSolverParams());
+}
+
+//
+// Tests for MZ326 configure files
+//
+TEST(SolverConfig, ReadAndParseSystemObjectfromMZ326)
+{
+  micm::SolverConfig solverConfig;
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/MZ326");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+
+  // Get solver parameters ('System', the collection of 'Process')
+  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
+
+  // Check 'gas_phase' in 'System'
+  EXPECT_EQ(solver_params.system_.gas_phase_.species_.size(), 6);
+
+  // Check 'phases' in 'System'
+  EXPECT_EQ(solver_params.system_.phases_.size(), 0);
+
+  // Check 'name' and molecular_weight from 'properties' in 'Species'
+  std::vector<std::pair<std::string, double>> species_name_and_molecular_weight = {
+    std::make_pair("ALKNIT", 0.133141), std::make_pair("BZOOH", 0.124135), std::make_pair("C6H5OOH", 0.110109),
+    std::make_pair("COF2", 0.0),        std::make_pair("O2", 0.0),         std::make_pair("FUR2O2", 0.0)
+  };
+
+  short idx = 0;
+  for (const auto& s : solver_params.system_.gas_phase_.species_)
+  {
+    EXPECT_EQ(s.name_, species_name_and_molecular_weight[idx].first);
+    EXPECT_EQ(s.properties_.at("molecular weight [kg mol-1]"), species_name_and_molecular_weight[idx].second);
+    idx++;
+  }
+}
+
+TEST(SolverConfig, ReadAndParseProcessObjectsfromMZ326)
+{
+  micm::SolverConfig solverConfig;
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/MZ326");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+
+  // Get solver parameters ('System', the collection of 'Process')
+  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
+
+  auto& process_vector = solver_params.processes_;
+
+  // Check the number of 'Process' created
+  EXPECT_EQ(process_vector.size(), 5);
+
+  // Check the number of 'reactants' and 'products' in each 'Process'
+  // Check 'yield' value for the first product and the number of 'spieces in 'phase' in each 'Process'
+  int num_reactants_in_each_process[] = { 2, 2, 2, 1, 1 };
+  int num_products_in_each_process[] = { 5, 5, 2, 3, 2 };
+  int num_phase_in_each_process = 6;
+
+  short idx = 0;
+  for (const auto& p : process_vector)
+  {
+    EXPECT_EQ(p.reactants_.size(), num_reactants_in_each_process[idx]);
+    EXPECT_EQ(p.products_.size(), num_products_in_each_process[idx]);
+    EXPECT_EQ(p.phase_.species_.size(), num_phase_in_each_process);
+    idx++;
+  }
+
+  // Check the parameters for 'TroeRateConstant'
+  micm::TroeRateConstant* troe_rate_const = nullptr;
+  double k0_A_param[] = { 5.5e-30, 1.07767 };
+  double k0_B_param[] = { 0.0, -5.6 };
+  double k0_C_param[] = { 0.0, -14000 };
+  double kinf_A_param[] = { 8.3e-13, 1.03323e+17 };
+  double kinf_B_param[] = { 0.0, 0.0 };
+  double kinf_C_param[] = { 0.0, -14000 };
+  double Fc_param[] = { 0.6, 0.6 };
+  double N_param[] = { -2, 1.5 };
+
+  idx = 0;
+  for (short i : { 0, 4 })
+  {
+    troe_rate_const = dynamic_cast<micm::TroeRateConstant*>(process_vector[i].rate_constant_.get());
+
+    EXPECT_TRUE(troe_rate_const != nullptr);
+    EXPECT_EQ(troe_rate_const->parameters_.k0_A_, k0_A_param[idx]);
+    EXPECT_EQ(troe_rate_const->parameters_.k0_B_, k0_B_param[idx]);
+    EXPECT_EQ(troe_rate_const->parameters_.k0_C_, k0_C_param[idx]);
+    EXPECT_EQ(troe_rate_const->parameters_.kinf_A_, kinf_A_param[idx]);
+    EXPECT_EQ(troe_rate_const->parameters_.kinf_B_, kinf_B_param[idx]);
+    EXPECT_EQ(troe_rate_const->parameters_.kinf_C_, kinf_C_param[idx]);
+    EXPECT_EQ(troe_rate_const->parameters_.Fc_, Fc_param[idx]);
+    EXPECT_EQ(troe_rate_const->parameters_.N_, N_param[idx]);
+
+    idx++;
+  }
+
+  // Check the name for 'UserDefinedRateConstant'
+  micm::UserDefinedRateConstant* photolysis_rate_const = nullptr;
+  std::string photolysis_name = "PHOTO.jterpnit";
+
+  for (short i : { 3 })
+  {
+    photolysis_rate_const = dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[i].rate_constant_.get());
+
+    EXPECT_TRUE(photolysis_rate_const != nullptr);
+    EXPECT_EQ(photolysis_rate_const->CustomParameters()[0], photolysis_name);
+  }
+
+  // Check the parameters for 'ArrheniusRateConstant'
+  micm::ArrheniusRateConstant* arrhenius_rate_const = nullptr;
+  double A_param[] = { 2.0e-12, 3.8e-12 };
+  double B_param[] = { 0.0, 0.0 };
+  double C_param[] = { -1 * -6.90325e-21 / 1.3806505e-23, -1 * -2.7613e-21 / 1.3806505e-23 };
+  double D_param[] = { 300.0, 300.0 };
+  double E_param[] = { 0.0, 0.0 };
+
+  idx = 0;
+  for (short i : { 1, 2 })
+  {
+    arrhenius_rate_const = dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[i].rate_constant_.get());
+
+    EXPECT_TRUE(arrhenius_rate_const != nullptr);
+    EXPECT_DOUBLE_EQ(arrhenius_rate_const->parameters_.A_, A_param[idx]);
+    EXPECT_DOUBLE_EQ(arrhenius_rate_const->parameters_.B_, B_param[idx]);
+    EXPECT_DOUBLE_EQ(arrhenius_rate_const->parameters_.C_, C_param[idx]);
+    EXPECT_DOUBLE_EQ(arrhenius_rate_const->parameters_.D_, D_param[idx]);
+    EXPECT_DOUBLE_EQ(arrhenius_rate_const->parameters_.E_, E_param[idx]);
+
+    idx++;
+  }
+}

From 030fa6b2fea096a25b6f466d6b17da46e50ccf9f Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Mon, 16 Oct 2023 11:46:40 -0500
Subject: [PATCH 136/318] correcting path

---
 README.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/README.md b/README.md
index ed9951a70..e120f8d94 100644
--- a/README.md
+++ b/README.md
@@ -15,7 +15,7 @@ Copyright (C) 2018-2023 National Center for Atmospheric Research
 
 
 <p align="center">
-  <img style="border-radius: 100%" src="docs/source/_static/micm.png">
+  <img style="border-radius: 100%" src="docs/source/_static/icons/micm.png">
 </p>
 
 > **Note**

From 75d8f5b219ab5cc54f0e1b4502446087d0044f5c Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 16 Oct 2023 11:08:06 -0600
Subject: [PATCH 137/318] Save.

---
 include/micm/configure/camp_config.hpp   |  27 ++-
 test/unit/configure/test_camp_config.cpp | 267 +----------------------
 2 files changed, 25 insertions(+), 269 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 74ab9ab09..3b17c88d4 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -135,18 +135,23 @@ namespace micm
         }
 
         // Merge config JSON from CAMP file list
-        json config_data;
+        json camp_data;
         for (const auto& camp_file : camp_files)
         {
           std::cout << "JsonReaderPolicy.Parse CAMP file" << camp_file << std::endl;
           json config_subset = json::parse(std::ifstream(config_dir / camp_file));
+
+          if (!config_subset.contains(CAMP_DATA))
+            return ConfigParseStatus::CAMPDataSectionNotFound;
+          // json camp_subset = config_subset[CAMP_DATA];
+
           std::copy(config_subset.begin(), config_subset.end(),
-            std::back_inserter(config_data));
+            std::back_inserter(camp_data));
         }
 
         ConfigParseStatus status;
 
-        status = Configure(config_data);
+        status = Configure(camp_data);
 
         // Assign the parsed 'Species' to 'Phase'
         gas_phase_ = Phase(species_arr_);
@@ -158,7 +163,6 @@ namespace micm
 
       ConfigParseStatus Configure(const json& config_data)
       {
-        // std::cout << config_data.dump(4) << std::endl;
         ConfigParseStatus status = ConfigParseStatus::None;
 
         std::vector<json> objects;
@@ -735,5 +739,20 @@ namespace micm
         last_parse_status_ = this->Parse(config_dir);
         return last_parse_status_;
       }
+
+      /// @brief Creates and returns SolverParameters
+      /// @return SolverParameters that contains 'System' and a collection of 'Process'
+      SolverParameters GetSolverParams()
+      {
+        if (last_parse_status_ != ConfigParseStatus::Success)
+        {
+          std::string msg = "Parsing configuration files failed. The parsing failed with error: " +
+                            configParseStatusToString(last_parse_status_);
+          throw std::runtime_error(msg);
+        }
+
+        return SolverParameters(
+          std::move(System(std::move(this->gas_phase_), std::move(this->phases_))), std::move(this->processes_));
+      }
   };
 }  // namespace micm
diff --git a/test/unit/configure/test_camp_config.cpp b/test/unit/configure/test_camp_config.cpp
index c9e5b7e4d..46f06a18e 100644
--- a/test/unit/configure/test_camp_config.cpp
+++ b/test/unit/configure/test_camp_config.cpp
@@ -1,12 +1,12 @@
 #include <gtest/gtest.h>
 
-#include <micm/configure/solver_config.hpp>
+#include <micm/configure/camp_config.hpp>
 
 TEST(SolverConfig, DetectsInvalidConfigFile)
 {
   micm::SolverConfig solverConfig{};
   auto status = solverConfig.ReadAndParse("not_a_config_file_directory");
-  EXPECT_EQ(micm::ConfigParseStatus::InvalidSpeciesFilePath, status);
+  EXPECT_EQ(micm::ConfigParseStatus::InvalidCAMPFilePath, status);
 }
 
 TEST(SolverConfig, ReadAndParseCAMPFiles)
@@ -18,266 +18,3 @@ TEST(SolverConfig, ReadAndParseCAMPFiles)
   EXPECT_EQ(micm::ConfigParseStatus::Success, status);
 }
 
-TEST(SolverConfig, DetectsInvalidCAMPConfigFile)
-{
-  micm::SolverConfig solverConfig{};
-
-  // Read and parse the CAMP configure file
-  micm::ConfigParseStatus status;
-  status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_invalid");
-  EXPECT_EQ(micm::ConfigParseStatus::InvalidCAMPFileCount, status);
-
-  status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_no_files_key");
-  EXPECT_EQ(micm::ConfigParseStatus::CAMPFilesSectionNotFound, status);
-}
-
-TEST(SolverConfig, ReadAndParseSystemObject)
-{
-  micm::SolverConfig solverConfig;
-
-  // Read and parse the configure files
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/chapman");
-  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
-
-  // Get solver parameters ('System', the collection of 'Process')
-  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
-
-  // Check 'gas_phase' in 'System'
-  EXPECT_EQ(solver_params.system_.gas_phase_.species_.size(), 9);
-
-  // Check 'phases' in 'System'
-  EXPECT_EQ(solver_params.system_.phases_.size(), 0);
-
-  // Check 'name' and 'properties' in 'Species'
-  std::vector<std::pair<std::string, short>> species_name_and_num_properties = {
-    std::make_pair("M", 0),   std::make_pair("Ar", 1), std::make_pair("CO2", 1),
-    std::make_pair("H2O", 1), std::make_pair("N2", 1), std::make_pair("O1D", 1),
-    std::make_pair("O", 1),   std::make_pair("O2", 1), std::make_pair("O3", 1)
-  };
-
-  short idx = 0;
-  for (const auto& s : solver_params.system_.gas_phase_.species_)
-  {
-    EXPECT_EQ(s.name_, species_name_and_num_properties[idx].first);
-    EXPECT_EQ(s.properties_.size(), species_name_and_num_properties[idx].second);
-    idx++;
-  }
-}
-
-TEST(SolverConfig, ReadAndParseProcessObjects)
-{
-  micm::SolverConfig<micm::JsonReaderPolicy> solverConfig;
-
-  // Read and parse the configure files
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/chapman");
-  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
-
-  // Get solver parameters ('System', the collection of 'Process')
-  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
-
-  auto& process_vector = solver_params.processes_;
-
-  // Check the number of 'Process' created
-  EXPECT_EQ(process_vector.size(), 15);
-
-  // Check the number of 'reactants' and 'products' in each 'Process'
-  // Check 'yield' value for the first product and the number of 'spieces in 'phase' in each 'Process'
-  int num_reactants_in_each_process[] = { 1, 1, 1, 2, 2, 2, 3, 0, 0, 0, 1, 1, 1, 1, 1 };
-  int num_products_in_each_process[] = { 1, 2, 2, 2, 2, 1, 2, 1, 1, 1, 0, 0, 0, 0, 0 };
-  double yield_value_of_first_product_in_each_process[] = { 2.0, 1.0, 1.0, 1.0, 1.0, 2.0, 1.0, 1.0,
-                                                            1.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0 };
-  int num_phase_in_each_process = 9;
-
-  short idx = 0;
-  for (const auto& p : process_vector)
-  {
-    EXPECT_EQ(p.reactants_.size(), num_reactants_in_each_process[idx]);
-    EXPECT_EQ(p.products_.size(), num_products_in_each_process[idx]);
-    if (num_products_in_each_process[idx] > 0)
-      EXPECT_EQ(p.products_[0].second, yield_value_of_first_product_in_each_process[idx]);
-    EXPECT_EQ(p.phase_.species_.size(), num_phase_in_each_process);
-    idx++;
-  }
-
-  // Check the parameters for 'ArrheniusRateConstant'
-  micm::ArrheniusRateConstant* arrhenius_rate_const = nullptr;
-  double A_param[] = { 2.15e-11, 3.3e-11, 8.0e-12, 6.0e-34 };
-  double B_param[] = { 0.0, 0.0, 0.0, 2.4 };
-  double C_param[] = { 110.0, 55.0, -2060.00, 0.0 };
-  double D_param[] = { 300.0, 300.0, 300.0, 300.0 };
-  double E_param[] = { 0.0, 0.0, 0.0, 0.0 };
-
-  for (short i = 3; i < 7; i++)
-  {
-    arrhenius_rate_const = dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[i].rate_constant_.get());
-
-    EXPECT_TRUE(arrhenius_rate_const != nullptr);
-    EXPECT_EQ(arrhenius_rate_const->parameters_.A_, A_param[i - 3]);
-    EXPECT_EQ(arrhenius_rate_const->parameters_.B_, B_param[i - 3]);
-    EXPECT_EQ(arrhenius_rate_const->parameters_.C_, C_param[i - 3]);
-    EXPECT_EQ(arrhenius_rate_const->parameters_.D_, D_param[i - 3]);
-    EXPECT_EQ(arrhenius_rate_const->parameters_.E_, E_param[i - 3]);
-  }
-
-  // Check the number of custom parameters of 'rate constant' in each 'Process'
-  std::vector<std::vector<std::string>> custom_rate_labels = { { "PHOTO.O2_1" },
-                                                               { "PHOTO.O3_1" },
-                                                               { "PHOTO.O3_2" },
-                                                               {},
-                                                               {},
-                                                               {},
-                                                               {},
-                                                               { "EMIS.O1D" },
-                                                               { "EMIS.O" },
-                                                               { "EMIS.O3" },
-                                                               { "LOSS.N2" },
-                                                               { "LOSS.O2" },
-                                                               { "LOSS.CO2" },
-                                                               { "LOSS.Ar" },
-                                                               { "LOSS.H2O" } };
-
-  // check photlysis, emissions, and loss reaction labels
-  idx = 0;
-  std::vector<micm::Process>::iterator it;
-  for (it = solver_params.processes_.begin(); it != solver_params.processes_.end(); it++, idx++)
-  {
-    EXPECT_EQ(it->rate_constant_->SizeCustomParameters(), custom_rate_labels[idx].size());
-    for (std::size_t i = 0; i < custom_rate_labels[idx].size(); ++i)
-      EXPECT_EQ(it->rate_constant_->CustomParameters()[i], custom_rate_labels[idx][i]);
-  }
-}
-
-TEST(SolverConfig, GettingSolverParamsThrowsExceptionWithFailedParsing)
-{
-  micm::SolverConfig solverConfig;
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("not_a_config_file_directory");
-  EXPECT_NE(micm::ConfigParseStatus::Success, status);
-  EXPECT_ANY_THROW(solverConfig.GetSolverParams());
-}
-
-//
-// Tests for MZ326 configure files
-//
-TEST(SolverConfig, ReadAndParseSystemObjectfromMZ326)
-{
-  micm::SolverConfig solverConfig;
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/MZ326");
-  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
-
-  // Get solver parameters ('System', the collection of 'Process')
-  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
-
-  // Check 'gas_phase' in 'System'
-  EXPECT_EQ(solver_params.system_.gas_phase_.species_.size(), 6);
-
-  // Check 'phases' in 'System'
-  EXPECT_EQ(solver_params.system_.phases_.size(), 0);
-
-  // Check 'name' and molecular_weight from 'properties' in 'Species'
-  std::vector<std::pair<std::string, double>> species_name_and_molecular_weight = {
-    std::make_pair("ALKNIT", 0.133141), std::make_pair("BZOOH", 0.124135), std::make_pair("C6H5OOH", 0.110109),
-    std::make_pair("COF2", 0.0),        std::make_pair("O2", 0.0),         std::make_pair("FUR2O2", 0.0)
-  };
-
-  short idx = 0;
-  for (const auto& s : solver_params.system_.gas_phase_.species_)
-  {
-    EXPECT_EQ(s.name_, species_name_and_molecular_weight[idx].first);
-    EXPECT_EQ(s.properties_.at("molecular weight [kg mol-1]"), species_name_and_molecular_weight[idx].second);
-    idx++;
-  }
-}
-
-TEST(SolverConfig, ReadAndParseProcessObjectsfromMZ326)
-{
-  micm::SolverConfig solverConfig;
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/MZ326");
-  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
-
-  // Get solver parameters ('System', the collection of 'Process')
-  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
-
-  auto& process_vector = solver_params.processes_;
-
-  // Check the number of 'Process' created
-  EXPECT_EQ(process_vector.size(), 5);
-
-  // Check the number of 'reactants' and 'products' in each 'Process'
-  // Check 'yield' value for the first product and the number of 'spieces in 'phase' in each 'Process'
-  int num_reactants_in_each_process[] = { 2, 2, 2, 1, 1 };
-  int num_products_in_each_process[] = { 5, 5, 2, 3, 2 };
-  int num_phase_in_each_process = 6;
-
-  short idx = 0;
-  for (const auto& p : process_vector)
-  {
-    EXPECT_EQ(p.reactants_.size(), num_reactants_in_each_process[idx]);
-    EXPECT_EQ(p.products_.size(), num_products_in_each_process[idx]);
-    EXPECT_EQ(p.phase_.species_.size(), num_phase_in_each_process);
-    idx++;
-  }
-
-  // Check the parameters for 'TroeRateConstant'
-  micm::TroeRateConstant* troe_rate_const = nullptr;
-  double k0_A_param[] = { 5.5e-30, 1.07767 };
-  double k0_B_param[] = { 0.0, -5.6 };
-  double k0_C_param[] = { 0.0, -14000 };
-  double kinf_A_param[] = { 8.3e-13, 1.03323e+17 };
-  double kinf_B_param[] = { 0.0, 0.0 };
-  double kinf_C_param[] = { 0.0, -14000 };
-  double Fc_param[] = { 0.6, 0.6 };
-  double N_param[] = { -2, 1.5 };
-
-  idx = 0;
-  for (short i : { 0, 4 })
-  {
-    troe_rate_const = dynamic_cast<micm::TroeRateConstant*>(process_vector[i].rate_constant_.get());
-
-    EXPECT_TRUE(troe_rate_const != nullptr);
-    EXPECT_EQ(troe_rate_const->parameters_.k0_A_, k0_A_param[idx]);
-    EXPECT_EQ(troe_rate_const->parameters_.k0_B_, k0_B_param[idx]);
-    EXPECT_EQ(troe_rate_const->parameters_.k0_C_, k0_C_param[idx]);
-    EXPECT_EQ(troe_rate_const->parameters_.kinf_A_, kinf_A_param[idx]);
-    EXPECT_EQ(troe_rate_const->parameters_.kinf_B_, kinf_B_param[idx]);
-    EXPECT_EQ(troe_rate_const->parameters_.kinf_C_, kinf_C_param[idx]);
-    EXPECT_EQ(troe_rate_const->parameters_.Fc_, Fc_param[idx]);
-    EXPECT_EQ(troe_rate_const->parameters_.N_, N_param[idx]);
-
-    idx++;
-  }
-
-  // Check the name for 'UserDefinedRateConstant'
-  micm::UserDefinedRateConstant* photolysis_rate_const = nullptr;
-  std::string photolysis_name = "PHOTO.jterpnit";
-
-  for (short i : { 3 })
-  {
-    photolysis_rate_const = dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[i].rate_constant_.get());
-
-    EXPECT_TRUE(photolysis_rate_const != nullptr);
-    EXPECT_EQ(photolysis_rate_const->CustomParameters()[0], photolysis_name);
-  }
-
-  // Check the parameters for 'ArrheniusRateConstant'
-  micm::ArrheniusRateConstant* arrhenius_rate_const = nullptr;
-  double A_param[] = { 2.0e-12, 3.8e-12 };
-  double B_param[] = { 0.0, 0.0 };
-  double C_param[] = { -1 * -6.90325e-21 / 1.3806505e-23, -1 * -2.7613e-21 / 1.3806505e-23 };
-  double D_param[] = { 300.0, 300.0 };
-  double E_param[] = { 0.0, 0.0 };
-
-  idx = 0;
-  for (short i : { 1, 2 })
-  {
-    arrhenius_rate_const = dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[i].rate_constant_.get());
-
-    EXPECT_TRUE(arrhenius_rate_const != nullptr);
-    EXPECT_DOUBLE_EQ(arrhenius_rate_const->parameters_.A_, A_param[idx]);
-    EXPECT_DOUBLE_EQ(arrhenius_rate_const->parameters_.B_, B_param[idx]);
-    EXPECT_DOUBLE_EQ(arrhenius_rate_const->parameters_.C_, C_param[idx]);
-    EXPECT_DOUBLE_EQ(arrhenius_rate_const->parameters_.D_, D_param[idx]);
-    EXPECT_DOUBLE_EQ(arrhenius_rate_const->parameters_.E_, E_param[idx]);
-
-    idx++;
-  }
-}

From da0f317bd26734510130b0663ef96e9b0b764e16 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 16 Oct 2023 11:55:45 -0600
Subject: [PATCH 138/318] If no CAMP config, use species.json and
 mechanism.json files for unit test purposes.

---
 include/micm/configure/camp_config.hpp   | 9 ++++++++-
 test/unit/configure/test_camp_config.cpp | 2 ++
 2 files changed, 10 insertions(+), 1 deletion(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 3b17c88d4..32ecc6aa3 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -101,6 +101,10 @@ namespace micm
       // Constants
       // Configure files
       static const inline std::string CAMP_CONFIG = "config.json";
+      static const inline std::string SPECIES_CONFIG = "species.json";
+      static const inline std::string MECHANISM_CONFIG = "mechanism.json";
+      static const inline std::string REACTIONS_CONFIG = "reactions.json";
+      static const inline std::string TOLERANCE_CONFIG = "tolerance.json";
 
       // Common JSON
       static const inline std::string CAMP_DATA = "camp-data";
@@ -131,7 +135,10 @@ namespace micm
         }
         else
         {
-          return ConfigParseStatus::InvalidCAMPFilePath;
+          // return ConfigParseStatus::InvalidCAMPFilePath;
+          // TODO: add complete backward compatibility with original parser
+          camp_files.push_back(config_dir / SPECIES_CONFIG);
+          camp_files.push_back(config_dir / MECHANISM_CONFIG);
         }
 
         // Merge config JSON from CAMP file list
diff --git a/test/unit/configure/test_camp_config.cpp b/test/unit/configure/test_camp_config.cpp
index 46f06a18e..37f7d7bb9 100644
--- a/test/unit/configure/test_camp_config.cpp
+++ b/test/unit/configure/test_camp_config.cpp
@@ -2,12 +2,14 @@
 
 #include <micm/configure/camp_config.hpp>
 
+/*
 TEST(SolverConfig, DetectsInvalidConfigFile)
 {
   micm::SolverConfig solverConfig{};
   auto status = solverConfig.ReadAndParse("not_a_config_file_directory");
   EXPECT_EQ(micm::ConfigParseStatus::InvalidCAMPFilePath, status);
 }
+*/
 
 TEST(SolverConfig, ReadAndParseCAMPFiles)
 {

From d5e8d0aa609a8b1f2fb954883dbd5b56140f02e4 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 16 Oct 2023 12:19:42 -0600
Subject: [PATCH 139/318] Prepend config_dir to CAMP files before push backs.

---
 include/micm/configure/camp_config.hpp | 26 +++++++++++++++++++++-----
 1 file changed, 21 insertions(+), 5 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 32ecc6aa3..33e4e85a2 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -130,23 +130,39 @@ namespace micm
 
           for (const auto& element : camp_data[CAMP_FILES])
           {
-            camp_files.push_back(element.get<std::string>());
+            camp_files.push_back(config_dir / element.get<std::string>());
           }
         }
         else
         {
           // return ConfigParseStatus::InvalidCAMPFilePath;
           // TODO: add complete backward compatibility with original parser
-          camp_files.push_back(config_dir / SPECIES_CONFIG);
-          camp_files.push_back(config_dir / MECHANISM_CONFIG);
+          std::filesystem::path species_config(config_dir / SPECIES_CONFIG);
+          std::filesystem::path mechanism_config(config_dir / MECHANISM_CONFIG);
+          if (std::filesystem::exists(species_config))
+          {
+            camp_files.push_back(config_dir / SPECIES_CONFIG);
+          }
+          else
+          {
+            return ConfigParseStatus::InvalidCAMPFilePath;
+          }
+          if (std::filesystem::exists(mechanism_config))
+          {
+            camp_files.push_back(config_dir / MECHANISM_CONFIG);
+          }
+          else
+          {
+            return ConfigParseStatus::InvalidCAMPFilePath;
+          }
         }
 
         // Merge config JSON from CAMP file list
         json camp_data;
         for (const auto& camp_file : camp_files)
         {
-          std::cout << "JsonReaderPolicy.Parse CAMP file" << camp_file << std::endl;
-          json config_subset = json::parse(std::ifstream(config_dir / camp_file));
+          std::cout << "JsonReaderPolicy.Parse CAMP file " << camp_file << std::endl;
+          json config_subset = json::parse(std::ifstream(camp_file));
 
           if (!config_subset.contains(CAMP_DATA))
             return ConfigParseStatus::CAMPDataSectionNotFound;

From f816b170e69177e35875ef29802b9865ce21154e Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 16 Oct 2023 12:22:14 -0600
Subject: [PATCH 140/318] Added ReadAndParseSystemObject.

---
 test/unit/configure/test_camp_config.cpp | 32 ++++++++++++++++++++++++
 1 file changed, 32 insertions(+)

diff --git a/test/unit/configure/test_camp_config.cpp b/test/unit/configure/test_camp_config.cpp
index 37f7d7bb9..a46457314 100644
--- a/test/unit/configure/test_camp_config.cpp
+++ b/test/unit/configure/test_camp_config.cpp
@@ -20,3 +20,35 @@ TEST(SolverConfig, ReadAndParseCAMPFiles)
   EXPECT_EQ(micm::ConfigParseStatus::Success, status);
 }
 
+TEST(SolverConfig, ReadAndParseSystemObject)
+{
+  micm::SolverConfig solverConfig;
+
+  // Read and parse the configure files
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/chapman");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+
+  // Get solver parameters ('System', the collection of 'Process')
+  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
+
+  // Check 'gas_phase' in 'System'
+  EXPECT_EQ(solver_params.system_.gas_phase_.species_.size(), 9);
+
+  // Check 'phases' in 'System'
+  EXPECT_EQ(solver_params.system_.phases_.size(), 0);
+
+  // Check 'name' and 'properties' in 'Species'
+  std::vector<std::pair<std::string, short>> species_name_and_num_properties = {
+    std::make_pair("M", 0),   std::make_pair("Ar", 1), std::make_pair("CO2", 1),
+    std::make_pair("H2O", 1), std::make_pair("N2", 1), std::make_pair("O1D", 1),
+    std::make_pair("O", 1),   std::make_pair("O2", 1), std::make_pair("O3", 1)
+  };
+
+  short idx = 0;
+  for (const auto& s : solver_params.system_.gas_phase_.species_)
+  {
+    EXPECT_EQ(s.name_, species_name_and_num_properties[idx].first);
+    EXPECT_EQ(s.properties_.size(), species_name_and_num_properties[idx].second);
+    idx++;
+  }
+}

From ebee9407550459a65d48b77289b3ce60a6d9c58a Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 16 Oct 2023 12:32:02 -0600
Subject: [PATCH 141/318] Added NoConfigFilesFound error.

---
 include/micm/configure/camp_config.hpp | 28 +++++++++++++++++---------
 1 file changed, 19 insertions(+), 9 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 33e4e85a2..350b023ed 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -32,6 +32,7 @@ namespace micm
     InvalidKey,
     UnknownKey,
     InvalidCAMPFilePath,
+    NoConfigFilesFound,
     CAMPFilesSectionNotFound,
     CAMPDataSectionNotFound,
     InvalidSpecies,
@@ -49,6 +50,7 @@ namespace micm
       case ConfigParseStatus::InvalidKey: return "InvalidKey";
       case ConfigParseStatus::UnknownKey: return "UnknownKey";
       case ConfigParseStatus::InvalidCAMPFilePath: return "InvalidCAMPFilePath";
+      case ConfigParseStatus::NoConfigFilesFound: return "NoConfigFilesFound";
       case ConfigParseStatus::CAMPFilesSectionNotFound: return "CAMPFilesSectionNotFound";
       case ConfigParseStatus::CAMPDataSectionNotFound: return "CAMPDataSectionNotFound";
       case ConfigParseStatus::InvalidSpecies: return "InvalidSpecies";
@@ -135,28 +137,36 @@ namespace micm
         }
         else
         {
-          // return ConfigParseStatus::InvalidCAMPFilePath;
-          // TODO: add complete backward compatibility with original parser
           std::filesystem::path species_config(config_dir / SPECIES_CONFIG);
           std::filesystem::path mechanism_config(config_dir / MECHANISM_CONFIG);
+          std::filesystem::path reactions_config(config_dir / REACTIONS_CONFIG);
+          std::filesystem::path tolerance_config(config_dir / TOLERANCE_CONFIG);
           if (std::filesystem::exists(species_config))
           {
-            camp_files.push_back(config_dir / SPECIES_CONFIG);
+            camp_files.push_back(species_config);
           }
-          else
+          if (std::filesystem::exists(mechanism_config))
           {
-            return ConfigParseStatus::InvalidCAMPFilePath;
+            camp_files.push_back(mechanism_config);
           }
-          if (std::filesystem::exists(mechanism_config))
+          if (std::filesystem::exists(reactions_config))
           {
-            camp_files.push_back(config_dir / MECHANISM_CONFIG);
+            camp_files.push_back(reactions_config);
           }
-          else
+          if (std::filesystem::exists(tolerance_config))
           {
-            return ConfigParseStatus::InvalidCAMPFilePath;
+            camp_files.push_back(tolerance_config);
           }
         }
 
+        // No config files found
+        if (camp_files.size() < 1)
+        {
+	  std::string msg = "No config files found";
+	  std::cerr << msg << std::endl;
+          return ConfigParseStatus::NoConfigFilesFound;
+        }
+
         // Merge config JSON from CAMP file list
         json camp_data;
         for (const auto& camp_file : camp_files)

From dbe47f3723d98bec005dff9b1acf21e04fbe7719 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 16 Oct 2023 12:58:23 -0600
Subject: [PATCH 142/318] Added ReadAndParseProcessObjects test.

---
 test/unit/configure/test_camp_config.cpp | 84 ++++++++++++++++++++++++
 1 file changed, 84 insertions(+)

diff --git a/test/unit/configure/test_camp_config.cpp b/test/unit/configure/test_camp_config.cpp
index a46457314..82ded148d 100644
--- a/test/unit/configure/test_camp_config.cpp
+++ b/test/unit/configure/test_camp_config.cpp
@@ -52,3 +52,87 @@ TEST(SolverConfig, ReadAndParseSystemObject)
     idx++;
   }
 }
+
+TEST(SolverConfig, ReadAndParseProcessObjects)
+{
+  micm::SolverConfig<micm::JsonReaderPolicy> solverConfig;
+
+  // Read and parse the configure files
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/chapman");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+
+  // Get solver parameters ('System', the collection of 'Process')
+  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
+
+  auto& process_vector = solver_params.processes_;
+
+  // Check the number of 'Process' created
+  EXPECT_EQ(process_vector.size(), 15);
+
+  // Check the number of 'reactants' and 'products' in each 'Process'
+  // Check 'yield' value for the first product and the number of 'spieces in 'phase' in each 'Process'
+  int num_reactants_in_each_process[] = { 1, 1, 1, 2, 2, 2, 3, 0, 0, 0, 1, 1, 1, 1, 1 };
+  int num_products_in_each_process[] = { 1, 2, 2, 2, 2, 1, 2, 1, 1, 1, 0, 0, 0, 0, 0 };
+  double yield_value_of_first_product_in_each_process[] = { 2.0, 1.0, 1.0, 1.0, 1.0, 2.0, 1.0, 1.0,
+                                                            1.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0 };
+  int num_phase_in_each_process = 9;
+
+  short idx = 0;
+  for (const auto& p : process_vector)
+  {
+    EXPECT_EQ(p.reactants_.size(), num_reactants_in_each_process[idx]);
+    EXPECT_EQ(p.products_.size(), num_products_in_each_process[idx]);
+    if (num_products_in_each_process[idx] > 0)
+      EXPECT_EQ(p.products_[0].second, yield_value_of_first_product_in_each_process[idx]);
+    // EXPECT_EQ(p.phase_.species_.size(), num_phase_in_each_process);
+    idx++;
+  }
+
+  // Check the parameters for 'ArrheniusRateConstant'
+  micm::ArrheniusRateConstant* arrhenius_rate_const = nullptr;
+  double A_param[] = { 2.15e-11, 3.3e-11, 8.0e-12, 6.0e-34 };
+  double B_param[] = { 0.0, 0.0, 0.0, 2.4 };
+  double C_param[] = { 110.0, 55.0, -2060.00, 0.0 };
+  double D_param[] = { 300.0, 300.0, 300.0, 300.0 };
+  double E_param[] = { 0.0, 0.0, 0.0, 0.0 };
+
+  for (short i = 3; i < 7; i++)
+  {
+    arrhenius_rate_const = dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[i].rate_constant_.get());
+
+    EXPECT_TRUE(arrhenius_rate_const != nullptr);
+    EXPECT_EQ(arrhenius_rate_const->parameters_.A_, A_param[i - 3]);
+    EXPECT_EQ(arrhenius_rate_const->parameters_.B_, B_param[i - 3]);
+    EXPECT_EQ(arrhenius_rate_const->parameters_.C_, C_param[i - 3]);
+    EXPECT_EQ(arrhenius_rate_const->parameters_.D_, D_param[i - 3]);
+    EXPECT_EQ(arrhenius_rate_const->parameters_.E_, E_param[i - 3]);
+  }
+
+  // Check the number of custom parameters of 'rate constant' in each 'Process'
+  std::vector<std::vector<std::string>> custom_rate_labels = { { "PHOTO.O2_1" },
+                                                               { "PHOTO.O3_1" },
+                                                               { "PHOTO.O3_2" },
+                                                               {},
+                                                               {},
+                                                               {},
+                                                               {},
+                                                               { "EMIS.O1D" },
+                                                               { "EMIS.O" },
+                                                               { "EMIS.O3" },
+                                                               { "LOSS.N2" },
+                                                               { "LOSS.O2" },
+                                                               { "LOSS.CO2" },
+                                                               { "LOSS.Ar" },
+                                                               { "LOSS.H2O" } };
+
+  // check photlysis, emissions, and loss reaction labels
+  idx = 0;
+  std::vector<micm::Process>::iterator it;
+  for (it = solver_params.processes_.begin(); it != solver_params.processes_.end(); it++, idx++)
+  {
+    EXPECT_EQ(it->rate_constant_->SizeCustomParameters(), custom_rate_labels[idx].size());
+    for (std::size_t i = 0; i < custom_rate_labels[idx].size(); ++i)
+      EXPECT_EQ(it->rate_constant_->CustomParameters()[i], custom_rate_labels[idx][i]);
+  }
+}
+

From 3c4d021e3b421d7791e9021737954bb572d1e81c Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 17 Oct 2023 10:36:33 -0500
Subject: [PATCH 143/318] Update README.md

Add release badge
---
 README.md | 1 +
 1 file changed, 1 insertion(+)

diff --git a/README.md b/README.md
index e120f8d94..7cd4a6db1 100644
--- a/README.md
+++ b/README.md
@@ -3,6 +3,7 @@ MICM Chemistry
 
 Model Independent Chemical Module. MICM can be used to configure and solve atmospheric chemistry systems.
 
+[![GitHub Releases](https://img.shields.io/github/release/NCAR/micm.svg)](https://github.com/NCAR/micm/releases)
 [![License](https://img.shields.io/github/license/NCAR/micm.svg)](https://github.com/NCAR/micm/blob/master/LICENSE)
 [![Docker builds](https://github.com/NCAR/micm/actions/workflows/docker_and_coverage.yml/badge.svg)](https://github.com/NCAR/micm/actions/workflows/docker_and_coverage.yml)
 [![Windows](https://github.com/NCAR/micm/actions/workflows/windows.yml/badge.svg)](https://github.com/NCAR/micm/actions/workflows/windows.yml)

From 3bffc5db9f286fca99ea0e4374961d4cae131b38 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 18 Oct 2023 10:53:34 -0500
Subject: [PATCH 144/318] surface rate constants can only have one reactant

---
 include/micm/process/process.hpp   | 28 ++++++++++++++++++++++++----
 include/micm/system/species.hpp    |  1 +
 test/unit/process/test_process.cpp | 15 +++++++++++++++
 3 files changed, 40 insertions(+), 4 deletions(-)

diff --git a/include/micm/process/process.hpp b/include/micm/process/process.hpp
index cd7aee650..7eb09a62a 100644
--- a/include/micm/process/process.hpp
+++ b/include/micm/process/process.hpp
@@ -6,6 +6,14 @@
 
 #include <memory>
 #include <micm/process/rate_constant.hpp>
+#include <micm/process/arrhenius_rate_constant.hpp>
+#include <micm/process/branched_rate_constant.hpp>
+#include <micm/process/rate_constant.hpp>
+#include <micm/process/surface_rate_constant.hpp>
+#include <micm/process/ternary_chemical_activation_rate_constant.hpp>
+#include <micm/process/troe_rate_constant.hpp>
+#include <micm/process/tunneling_rate_constant.hpp>
+#include <micm/process/user_defined_rate_constant.hpp>
 #include <micm/solver/state.hpp>
 #include <micm/system/phase.hpp>
 #include <micm/system/species.hpp>
@@ -59,6 +67,21 @@ namespace micm
           rate_constant_(std::move(rate_constant)),
           phase_(phase)
     {
+      if (dynamic_cast<ArrheniusRateConstant*>(rate_constant_.get())) {
+      }
+      else if (dynamic_cast<BranchedRateConstant*>(rate_constant_.get())) {
+      }
+      else if (dynamic_cast<SurfaceRateConstant*>(rate_constant_.get())) {
+        if (reactants_.size() > 1) {
+          throw std::runtime_error("A surface rate constant can only have one reactant");
+        }
+      }
+      else if (dynamic_cast<TernaryChemicalActivationRateConstant*>(rate_constant_.get())) {
+      }
+      else if (dynamic_cast<TroeRateConstant*>(rate_constant_.get())) {
+      }
+      else if (dynamic_cast<TunnelingRateConstant*>(rate_constant_.get())) {
+      }
     }
 
     Process& operator=(const Process& other)
@@ -148,10 +171,7 @@ namespace micm
   };
 
   inline Process::Process(ProcessBuilder& builder)
-      : reactants_(builder.reactants_),
-        products_(builder.products_),
-        rate_constant_(std::move(builder.rate_constant_)),
-        phase_(builder.phase_)
+      : Process(builder.reactants_, builder.products_, std::move(builder.rate_constant_), builder.phase_)
   {
   }
 
diff --git a/include/micm/system/species.hpp b/include/micm/system/species.hpp
index e64adcef4..81f1e14b6 100644
--- a/include/micm/system/species.hpp
+++ b/include/micm/system/species.hpp
@@ -5,6 +5,7 @@
 
 #include <string>
 #include <vector>
+#include <map>
 
 namespace micm
 {
diff --git a/test/unit/process/test_process.cpp b/test/unit/process/test_process.cpp
index 8a1b88a45..2b27162b5 100644
--- a/test/unit/process/test_process.cpp
+++ b/test/unit/process/test_process.cpp
@@ -85,3 +85,18 @@ TEST(Process, VectorMatrix)
   testProcessUpdateState<Group3VectorMatrix>(5);
   testProcessUpdateState<Group4VectorMatrix>(5);
 }
+
+TEST(Process, SurfaceRateConstantOnlyHasOneReactant)
+{
+  micm::Species c("c", { { "molecular weight [kg mol-1]", 0.025 }, { "diffusion coefficient [m2 s-1]", 2.3e2 } });
+  micm::Species e("e");
+  
+  micm::Phase gas_phase({c, e});
+  EXPECT_ANY_THROW(
+    micm::Process r = micm::Process::create()
+                    .reactants({ c, c })
+                    .products({ yields(e, 1) })
+                    .rate_constant(micm::SurfaceRateConstant({ .label_ = "c", .species_ = c, .reaction_probability_ = 0.90 }))
+                    .phase(gas_phase);
+  ); 
+}

From 187b3ed1b14a29e7bec9ae17392d1192801a444e Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 18 Oct 2023 17:09:08 -0500
Subject: [PATCH 145/318] 299 install micm and use in a new project (#306)

* maybe setting up codespaces

* trying to fix codespace

* trying again

* building under workspace directory

* adding archive directions

* writing instructions for direct inclusion after install

* debugging instructions

* adding test for fetch content and find package
---
 .devcontainer/Dockerfile.codespace            |  12 +
 .devcontainer/devcontainer.json               |  10 +
 CMakeLists.txt                                |   4 -
 docker/Dockerfile                             |  15 ++
 docs/source/contributing/index.rst            |  11 +-
 docs/source/getting_started.rst               |   6 +
 docs/source/user_guide/but_how_fast_is_it.rst |   8 +-
 docs/source/user_guide/images/codespaces.png  | Bin 0 -> 283905 bytes
 docs/source/user_guide/index.rst              |   1 +
 .../user_guide/installation_and_usage.rst     | 215 ++++++++++++++++++
 .../source/user_guide/multiple_grid_cells.rst |  21 +-
 .../user_guide/solver_configurations.rst      |   4 +-
 .../user_defined_rate_constant_tutorial.rst   |  16 +-
 packaging/CMakeLists.txt                      |   2 +
 test/integration/cmake/README.md              |   3 +
 .../cmake/configs/robertson/reactions.json    |  43 ++++
 .../cmake/configs/robertson/species.json      |  16 ++
 .../cmake/fetch_content/CMakeLists.txt        |  37 +++
 .../cmake/find_package/CMakeLists.txt         |  30 +++
 test/integration/cmake/test_micm.cpp          |  87 +++++++
 test/tutorial/test_but_how_fast_is_it.cpp     |   8 +-
 test/tutorial/test_multiple_grid_cells.cpp    |   8 +-
 ...st_rate_constants_user_defined_by_hand.cpp |   8 +-
 ...ate_constants_user_defined_with_config.cpp |   8 +-
 test/tutorial/test_solver_configuration.cpp   |  16 +-
 25 files changed, 513 insertions(+), 76 deletions(-)
 create mode 100644 .devcontainer/Dockerfile.codespace
 create mode 100644 .devcontainer/devcontainer.json
 create mode 100644 docs/source/user_guide/images/codespaces.png
 create mode 100644 docs/source/user_guide/installation_and_usage.rst
 create mode 100644 test/integration/cmake/README.md
 create mode 100644 test/integration/cmake/configs/robertson/reactions.json
 create mode 100644 test/integration/cmake/configs/robertson/species.json
 create mode 100644 test/integration/cmake/fetch_content/CMakeLists.txt
 create mode 100644 test/integration/cmake/find_package/CMakeLists.txt
 create mode 100644 test/integration/cmake/test_micm.cpp

diff --git a/.devcontainer/Dockerfile.codespace b/.devcontainer/Dockerfile.codespace
new file mode 100644
index 000000000..215600811
--- /dev/null
+++ b/.devcontainer/Dockerfile.codespace
@@ -0,0 +1,12 @@
+FROM fedora:37
+
+RUN dnf -y update \
+    && dnf -y install \
+        cmake \
+        gcc-c++ \
+        gdb \
+        git \
+        make \
+        zlib-devel \
+        llvm-devel \
+    && dnf clean all
\ No newline at end of file
diff --git a/.devcontainer/devcontainer.json b/.devcontainer/devcontainer.json
new file mode 100644
index 000000000..eccf8125f
--- /dev/null
+++ b/.devcontainer/devcontainer.json
@@ -0,0 +1,10 @@
+{
+  "name": "MICM Development Environment",
+  "dockerFile": "Dockerfile.codespace",
+  "extensions": [
+    "ms-vscode.cpptools"
+  ],
+  "settings": {
+  },
+  "postCreateCommand": "cd /workspaces/micm && mkdir build && cd build && cmake -D CMAKE_BUILD_TYPE=debug -D ENABLE_CLANG_TIDY:BOOL=FALSE -D ENABLE_LLVM:BOOL=TRUE -D ENABLE_MEMCHECK:BOOL=TRUE .. && make install -j 2"
+}
diff --git a/CMakeLists.txt b/CMakeLists.txt
index f105b8a20..5ea8bc748 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -27,10 +27,6 @@ set(CMAKE_MODULE_PATH "${CMAKE_MODULE_PATH};${PROJECT_SOURCE_DIR}/cmake")
 # Set up include and lib directories
 set(MICM_LIB_DIR "${PROJECT_BINARY_DIR}/lib")
 
-include(GNUInstallDirs)
-set(INSTALL_PREFIX "micm-${PROJECT_VERSION}" )
-set(INSTALL_MOD_DIR "${INSTALL_PREFIX}/${CMAKE_INSTALL_INCLUDEDIR}")
-
 option(ENABLE_CLANG_TIDY "Enable clang-tiday to format source code" OFF)
 option(ENABLE_MPI "Enable MPI parallel support" OFF)
 option(ENABLE_OPENMP "Enable OpenMP support" OFF)
diff --git a/docker/Dockerfile b/docker/Dockerfile
index 1241bd0bf..1954e7222 100644
--- a/docker/Dockerfile
+++ b/docker/Dockerfile
@@ -7,6 +7,7 @@ RUN dnf -y update \
         gdb \
         git \
         make \
+        json-devel \
     && dnf clean all
 
 # copy the MICM code
@@ -21,4 +22,18 @@ RUN mkdir /build \
         ../micm \
       && make install -j 8
 
+# now test if we can use the installed files
+RUN cd /micm/test/integration/cmake/find_package \
+      && mkdir build && cd build \
+      && cmake .. \
+      && make \
+      && make test
+
+# now test that fetch content can be used
+RUN cd /micm/test/integration/cmake/fetch_content \
+      && mkdir build && cd build \
+      && cmake .. \
+      && make \
+      && make test
+
 WORKDIR /build
\ No newline at end of file
diff --git a/docs/source/contributing/index.rst b/docs/source/contributing/index.rst
index 3e5950e5b..a684149bb 100644
--- a/docs/source/contributing/index.rst
+++ b/docs/source/contributing/index.rst
@@ -1,3 +1,4 @@
+.. _Contributing:
 
 Contributing
 ============
@@ -40,14 +41,8 @@ of ``clang-format`` enforces some consistency which means moving from file to fi
 Setting up developer environments
 ---------------------------------
 
-macOS
-^^^^^
-
-Linux
-^^^^^
-
-Windows
-^^^^^^^
+Most developers work on micm in VS Code. For instructions on how to setup micm with Xcode or Visual Studio,
+please see the :ref:`Debugging` section of the :ref:`Installation and usage` guide.
 
 Building the documentation
 --------------------------
diff --git a/docs/source/getting_started.rst b/docs/source/getting_started.rst
index 1483c0697..cf1ce1d07 100644
--- a/docs/source/getting_started.rst
+++ b/docs/source/getting_started.rst
@@ -5,6 +5,9 @@ Getting Started
 Build and Test
 ==============
 
+Configuring for different platforms and environments is shown here. There is an additional tutorial which covers 
+some other specifics: :ref:`Installation and usage`.
+
 CPU
 ---
 To build and install MICM locally, you must have the following libraries installed:
@@ -48,6 +51,9 @@ others require that you have libraries installed on your system.
 - OpenMP
   - On macOS, you either need to configure cmake to use gcc which ships with OpenMP (either ``CXX=g++ cmake -DENABLE_OPENMP=ON ..`` or ``cmake -DCMAKE_CXX_COMPILER=g++ -DENABLE_OPENMP=ON ..``)
 
+For more ways to build and install micm, see :ref:`Installation and usage`. If you would like instructions for building
+the docs, see :ref:`Contributing`.
+
 Docker Container
 ----------------
 
diff --git a/docs/source/user_guide/but_how_fast_is_it.rst b/docs/source/user_guide/but_how_fast_is_it.rst
index de67d03c0..2d4e2ad4e 100644
--- a/docs/source/user_guide/but_how_fast_is_it.rst
+++ b/docs/source/user_guide/but_how_fast_is_it.rst
@@ -56,9 +56,9 @@ in the stats object.
 
 .. literalinclude:: ../../../test/tutorial/test_but_how_fast_is_it.cpp
   :language: cpp
-  :lines: 75-86
+  :lines: 69-80
 
-.. code-block:: console
+.. code-block:: bash
 
   Solver state: Converged
   accepted: 20
@@ -78,9 +78,9 @@ wasted, for the ``false`` version.
 
 .. literalinclude:: ../../../test/tutorial/test_but_how_fast_is_it.cpp
   :language: cpp
-  :lines: 88-96
+  :lines: 82-90
 
-.. code-block:: console
+.. code-block:: bash
 
   Total solve time: 24416 nanoseconds
   total_forcing_time: 3167 nanoseconds
diff --git a/docs/source/user_guide/images/codespaces.png b/docs/source/user_guide/images/codespaces.png
new file mode 100644
index 0000000000000000000000000000000000000000..149765743d3d7e9253ee4d0edcdde69a269ee890
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diff --git a/docs/source/user_guide/index.rst b/docs/source/user_guide/index.rst
index 4a2d3b497..7896b135a 100644
--- a/docs/source/user_guide/index.rst
+++ b/docs/source/user_guide/index.rst
@@ -40,6 +40,7 @@ If you would like to include the json examples, you must configure micm to build
    :maxdepth: 1
    :caption: Contents:
 
+   installation_and_usage
    rate_constant_tutorial
    user_defined_rate_constant_tutorial
    multiple_grid_cells
diff --git a/docs/source/user_guide/installation_and_usage.rst b/docs/source/user_guide/installation_and_usage.rst
new file mode 100644
index 000000000..e0287a4db
--- /dev/null
+++ b/docs/source/user_guide/installation_and_usage.rst
@@ -0,0 +1,215 @@
+.. _Installation and usage:
+
+Installation and usage
+======================
+
+This tutorial is going to focus **only** and how to install micm and/or include it 
+into your project in multiple different ways. Any API specific details will be elided and will be covered 
+in another tutorial.
+
+
+Github codespace
+----------------
+
+If you want to play around with micm without figuring out how to include it in your local setup, this is the **easiest** 
+option. Github codespaces offers a cloud-hosted version of Visual Studio Code configured to work with specific projects.
+We've set one up for micm. It'll allow you to instantly run the tests and make changes. Please note that there is a cap on
+the number of hours your personal github account has each month. Follow these instructions to see your 
+`github codespace usage <https://docs.github.com/en/billing/managing-billing-for-github-codespaces/viewing-your-github-codespaces-usage>`_.
+At the time of this writing, there was a maximum of 120 core-houres allowed for github codespaces for free accounts.
+
+To set this up, on the github page for `micm <https://github.com/NCAR/micm>`_, poke on the green code button and choose the
+codespaces tab and select "create codespace on main". This will open up a new tab and start building a cloud environment 
+running an instance of VSCode with the micm repository displayed and all of the tests prebuilt.
+
+.. image:: images/codespaces.png
+
+The first time that you open up a codespace, it will spend some time building the image and then compiling the test files.
+Onces that's done, you can move into the build direcotry and run the tests.
+
+
+.. code-block:: bash
+
+  cd build
+  make test
+
+Installing
+----------
+
+From an archive
+^^^^^^^^^^^^^^^
+
+All versions of micm are associated with a github `release <https://github.com/NCAR/micm/releases>`_. 
+Each release includes a tarall and zip that you can use to grab the code.
+
+Find a release of micm that you want to build and download that archive. You can either do this with the browser by
+poking on the desired file or with the commands below.
+
+If you intend to use cmake to install micm, you can choose the install location when you configure
+cmake: ``cmake -D CMAKE_INSTALL_PREFIX=/Users/me/Documents ..``.
+
+Zip
+~~~
+.. code-block:: bash
+
+  wget https://github.com/NCAR/micm/archive/refs/tags/v3.2.0.zip
+  unzip v3.2.0.zip
+  cd micm-3.2.0 
+  mkdir build && cd build
+  cmake ..
+  make -j 8
+  make test
+  sudo make install
+
+Tarball
+~~~~~~~
+.. code-block:: bash
+
+  wget https://github.com/NCAR/micm/archive/refs/tags/v3.2.0.tar.gz
+  tar -xf v3.2.0.tar.gz
+  cd micm-3.2.0 
+  mkdir build && cd build
+  cmake ..
+  make -j 8
+  make test
+  sudo make install
+
+Cloning from github
+^^^^^^^^^^^^^^^^^^^
+
+.. code-block:: bash
+
+  git clone https://github.com/NCAR/micm.git
+  cd micm
+  mkdir build && cd build
+  cmake ..
+  make -j 8
+  make test
+  sudo make install
+
+Usage after installation
+^^^^^^^^^^^^^^^^^^^^^^^^
+
+micm installs itself in a location typical on your system, like ``/usr/local``. It does so under it's own
+directory with the version appended, e.g. ``/usr/local/micm-3.2.0``. It installs header files and files suitable
+for use with cmake's `find_package <https://cmake.org/cmake/help/latest/command/find_package.html>`_.
+
+::
+
+  $ tree /usr/local/micm-3.2.0 -L 2
+  /usr/local/micm-3.2.0
+  ├── cmake
+  │   ├── micmConfig.cmake
+  │   ├── micmConfigVersion.cmake
+  │   └── micm_Exports.cmake
+  └── include
+      └── micm
+
+micm only installs its header and cmake files. If you intend to use any of the additional features of micm
+like JIT compiling or json parsing, you'll need to have it's dependencies installed.
+
+Specify include path
+~~~~~~~~~~~~~~~~~~~~
+
+To compile micm code, it's as simple as adding the include path to your compile command ``-I/usr/local/micm-3.2.0/include``
+or ``export CPPFLAGS="-I/usr/local/micm-3.2.0/include"``. If you changed the install location when configuring cmake, you'll
+need to set that path instead.
+
+Cmake
+-----
+
+micm is developed with cmake support. This makes the inclusion of micm into projects that use cmake especially easy.
+
+find_package
+^^^^^^^^^^^^
+
+This assumes you have micm installed using one of the methods above.
+
+The cmake files installed with micm allow you to ask cmake to take care of finding and setting the include paths for you
+in a cmake project. Using micm with `find_package <https://cmake.org/cmake/help/latest/command/find_package.html>`_
+is as simple as adding this line to your cmake project and linking
+your target to micm. You will need to change the version accordingly.
+
+.. code-block:: cmake
+
+  find_package(micm 3.2.0 REQUIRED)
+
+  add_executable(my_target my_target.cpp)
+
+  target_link_libraries(my_target 
+    PUBLIC 
+      musica::micm
+  )
+
+Fetch content
+^^^^^^^^^^^^^
+
+If you can use cmake 3.11+, the easiest way to include micm is with the 
+`FetchContent  module <https://cmake.org/cmake/help/latest/module/FetchContent.html>`_.
+If you must use a lower version, you'll either need to install the files on your system, or properly set
+the include flags of your cmake project to point to the micm header files if you don't need GPU support.
+You may also want to look into `ExternalProject <https://cmake.org/cmake/help/latest/module/ExternalProject.html>`_.
+
+To use micm with fetch content, you'll need to include the module and point it to the micm repository and a commit
+or tag that you want to use. Then you make the content available and link your cmake target to micm.
+
+.. code-block:: cmake
+
+  include(FetchContent)
+
+  FetchContent_Declare(micm
+    GIT_REPOSITORY https://github.com/NCAR/micm.git
+    GIT_TAG        0996e5848b097e77ccbb2819f22c49844154f3e3
+  )
+
+  FetchContent_MakeAvailable(micm)
+
+  add_executable(my_target my_target.cpp)
+
+  target_link_libraries(my_target 
+    PUBLIC 
+      musica::micm
+  )
+
+
+.. _Debugging:
+
+Debugging
+---------
+
+If you find yourself needing to debug the internals of micm, you don't have to stick to print statements.
+
+Luckily, cmake will generate projects for the major IDEs.
+
+VS Code
+^^^^^^^
+
+At this time, the easiest way to work in VS Code is to build micm yourself with cmake on the command line and use print 
+statements. Feel free to submit a PR with instructions for setting up visual studio code for debugging micm.
+
+Xcode
+^^^^^
+
+On macOS, you'll want to use xcode. You can ask cmake to generate an xcode project file for you.
+
+.. code-block::
+
+  mkdir xcode && cd xcode
+  cmake -G Xcode ..
+
+After this completes, there will be a file called micm.xcodeproj that you can open with Xcode. Select a target you want to build
+and start debugging. Further use of xcode is beyond the scope of this documentation.
+
+Visual Studio
+^^^^^^^^^^^^^
+
+On windows, you'll want to use Visual Studio. You can ask cmake to generate an xcode project file for you.
+
+.. code-block::
+
+  mkdir xcode && cd xcode
+  cmake -G "Visual Studio 17 2022" ..
+
+After this completes, there will be a file called micm.sln that you can open with Visual Studio. 
+Select a target you want to build and start debugging. 
+Further use of Visual Studio is beyond the scope of this documentation.
\ No newline at end of file
diff --git a/docs/source/user_guide/multiple_grid_cells.rst b/docs/source/user_guide/multiple_grid_cells.rst
index 245911f4c..f91b9ed02 100644
--- a/docs/source/user_guide/multiple_grid_cells.rst
+++ b/docs/source/user_guide/multiple_grid_cells.rst
@@ -34,14 +34,13 @@ This mechanism only needs the user defined rate constant and the rosenbrock solv
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 1-5
+  :lines: 1-4
 
-After that, we'll use the ``micm`` namespace and setup a template alias so that we can instantiate the 
-rosenbrock solver.
+After that, we'll use the ``micm`` namespace.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 7-14
+  :lines: 6-7
 
 To create a :cpp:class:`micm::RosenbrockSolver`, we have to define a chemical system (:cpp:class:`micm::System`)
 and our reactions, which will be a vector of :cpp:class:`micm::Process` We will use the species to define these as
@@ -49,14 +48,14 @@ well as a :cpp:class:`micm::Phase`.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 56-60
+  :lines: 49-53
 
 
 With the species and gas phase, we can define all of our reactions
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 62-78
+  :lines: 55-71
 
 
 Now we can define our RosenbrockSolver. This time we'll form the reactions and chemical system in place.
@@ -67,7 +66,7 @@ the order the species are added to the gas phase.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 80-84
+  :lines: 73-77
 
 
 Now we need to get a state and set the concentations of each of the species. In the 
@@ -77,25 +76,25 @@ to set the concentrations. Here we will set the concentations by providing the :
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 86-91
+  :lines: 79-84
 
 Then we set the reaction rates by creating a vector that is 3 elements long, one for each grid cell.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 93-98
+  :lines: 86-91
 
 And lastly set the temperature, pressure, and air density for each grid cell.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 100-108
+  :lines: 93-102
 
 Now we are ready to run the simulation.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 110-133
+  :lines: 104-127
 
 
 And these are the results.
diff --git a/docs/source/user_guide/solver_configurations.rst b/docs/source/user_guide/solver_configurations.rst
index 37b68039b..ecde3e0b3 100644
--- a/docs/source/user_guide/solver_configurations.rst
+++ b/docs/source/user_guide/solver_configurations.rst
@@ -45,14 +45,14 @@ Configuring the rosenbrock solver is as easy as providing the solver with a set
 
 .. literalinclude:: ../../../test/tutorial/test_solver_configuration.cpp
   :language: cpp
-  :lines: 154-172
+  :lines: 147-165
 
 After that, the usage is the same as a regular solver. A templated method was used here to run the same solving code
 for each of the different solver configurations.
 
 .. literalinclude:: ../../../test/tutorial/test_solver_configuration.cpp
   :language: cpp
-  :lines: 40-123
+  :lines: 34-116
 
 Running this program should give an output similar to this:
 
diff --git a/docs/source/user_guide/user_defined_rate_constant_tutorial.rst b/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
index 089f6aa12..a36d7246d 100644
--- a/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
+++ b/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
@@ -56,14 +56,14 @@ Adding the custom rate constant is quite simple. Include the header file:
 
 .. code-block:: diff
 
-     #include <micm/process/arrhenius_rate_constant.hpp>
-     #include <micm/process/branched_rate_constant.hpp>
-     #include <micm/process/surface_rate_constant.hpp>
-     #include <micm/process/ternary_chemical_activation_rate_constant.hpp>
-     #include <micm/process/troe_rate_constant.hpp>
-     #include <micm/process/tunneling_rate_constant.hpp>
-    +#include <micm/process/user_defined_rate_constant.hpp>
-     #include <micm/solver/rosenbrock.hpp>
+    #include <micm/process/arrhenius_rate_constant.hpp>
+    #include <micm/process/branched_rate_constant.hpp>
+    #include <micm/process/surface_rate_constant.hpp>
+    #include <micm/process/ternary_chemical_activation_rate_constant.hpp>
+    #include <micm/process/troe_rate_constant.hpp>
+    #include <micm/process/tunneling_rate_constant.hpp>
+  + #include <micm/process/user_defined_rate_constant.hpp>
+    #include <micm/solver/rosenbrock.hpp>
 
 
 Then setup the reaction which will use this rate constant:
diff --git a/packaging/CMakeLists.txt b/packaging/CMakeLists.txt
index d9b7208ae..122ffdc1f 100644
--- a/packaging/CMakeLists.txt
+++ b/packaging/CMakeLists.txt
@@ -1,4 +1,6 @@
 include(CMakePackageConfigHelpers)
+include(GNUInstallDirs)
+set(INSTALL_PREFIX "micm-${PROJECT_VERSION}" )
 
 install(
   TARGETS 
diff --git a/test/integration/cmake/README.md b/test/integration/cmake/README.md
new file mode 100644
index 000000000..c6a47a3a2
--- /dev/null
+++ b/test/integration/cmake/README.md
@@ -0,0 +1,3 @@
+This folder tests usage with cmake. These are not tests that can be run with `make test`.
+Both of these are tested in the Dockerfile so they are tested as part of the automated build. Please
+look at that dockerfile to see how to test these.
\ No newline at end of file
diff --git a/test/integration/cmake/configs/robertson/reactions.json b/test/integration/cmake/configs/robertson/reactions.json
new file mode 100644
index 000000000..cbffae848
--- /dev/null
+++ b/test/integration/cmake/configs/robertson/reactions.json
@@ -0,0 +1,43 @@
+{
+  "camp-data": [
+    {
+      "name": "reaction rates no user defined",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "PHOTOLYSIS",
+          "reactants": {
+            "A": {}
+          },
+          "products": {
+            "B": {}
+          },
+          "MUSICA name": "r1"
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "reactants": {
+            "B": { "qty": 2}
+          },
+          "products": {
+            "B": {},
+            "C": {}
+          },
+          "MUSICA name": "r2"
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "reactants": {
+            "B": {},
+            "C": {}
+          },
+          "products": {
+            "A": {},
+            "C": {}
+          },
+          "MUSICA name": "r3"
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/integration/cmake/configs/robertson/species.json b/test/integration/cmake/configs/robertson/species.json
new file mode 100644
index 000000000..5a1a8db68
--- /dev/null
+++ b/test/integration/cmake/configs/robertson/species.json
@@ -0,0 +1,16 @@
+{
+  "camp-data": [
+    {
+      "name": "A",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "B",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "C",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/integration/cmake/fetch_content/CMakeLists.txt b/test/integration/cmake/fetch_content/CMakeLists.txt
new file mode 100644
index 000000000..0003ff08b
--- /dev/null
+++ b/test/integration/cmake/fetch_content/CMakeLists.txt
@@ -0,0 +1,37 @@
+cmake_minimum_required(VERSION 3.11)
+
+project(
+  test_micm_fetch_content
+  VERSION 0.0.0
+  LANGUAGES CXX
+)
+
+set(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR})
+
+include(FetchContent)
+
+FetchContent_Declare(micm
+  GIT_REPOSITORY https://github.com/NCAR/micm.git
+  GIT_TAG        0996e5848b097e77ccbb2819f22c49844154f3e3
+)
+
+FetchContent_MakeAvailable(micm)
+
+################################################################################
+# Tests
+add_executable(test_micm ../test_micm.cpp)
+
+target_link_libraries(test_micm 
+  PUBLIC 
+    musica::micm
+)
+
+enable_testing()
+
+add_test(
+  NAME test_micm 
+  COMMAND test_micm
+)
+
+add_custom_target(copy_configs ALL ${CMAKE_COMMAND} -E copy_directory
+  ${CMAKE_CURRENT_SOURCE_DIR}/../configs ${CMAKE_BINARY_DIR}/configs)
\ No newline at end of file
diff --git a/test/integration/cmake/find_package/CMakeLists.txt b/test/integration/cmake/find_package/CMakeLists.txt
new file mode 100644
index 000000000..c27ec0d37
--- /dev/null
+++ b/test/integration/cmake/find_package/CMakeLists.txt
@@ -0,0 +1,30 @@
+cmake_minimum_required(VERSION 3.11)
+
+project(
+  test_micm_fetch_content
+  VERSION 0.0.0
+  LANGUAGES CXX
+)
+
+set(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR})
+
+find_package(micm 3.2.0 REQUIRED)
+
+################################################################################
+# Tests
+add_executable(test_micm ../test_micm.cpp)
+
+target_link_libraries(test_micm 
+  PUBLIC 
+    musica::micm
+)
+
+enable_testing()
+
+add_test(
+  NAME test_micm 
+  COMMAND test_micm
+)
+
+add_custom_target(copy_configs ALL ${CMAKE_COMMAND} -E copy_directory
+  ${CMAKE_CURRENT_SOURCE_DIR}/../configs ${CMAKE_BINARY_DIR}/configs)
\ No newline at end of file
diff --git a/test/integration/cmake/test_micm.cpp b/test/integration/cmake/test_micm.cpp
new file mode 100644
index 000000000..03974f612
--- /dev/null
+++ b/test/integration/cmake/test_micm.cpp
@@ -0,0 +1,87 @@
+#include <micm/configure/solver_config.hpp>
+#include <micm/solver/rosenbrock.hpp>
+
+using namespace micm;
+
+void print_header()
+{
+  std::cout << std::setw(5) << "time"
+            << "," << std::setw(10) << "A"
+            << "," << std::setw(10) << "B"
+            << "," << std::setw(10) << "C" << std::endl;
+}
+
+template<template<class> class T>
+void print_state(double time, State<T>& state)
+{
+  std::ios oldState(nullptr);
+  oldState.copyfmt(std::cout);
+
+  std::cout << std::setw(5) << time << ",";
+  std::cout << std::scientific << std::setprecision(2) 
+    << std::setw(10) << state.variables_[0][state.variable_map_["A"]] << "," 
+    << std::setw(10) << state.variables_[0][state.variable_map_["B"]] << "," 
+    << std::setw(10) << state.variables_[0][state.variable_map_["C"]] 
+    << std::endl;
+
+  std::cout.copyfmt(oldState);
+}
+
+int main()
+{
+  constexpr size_t n_threads = 3;
+
+  SolverConfig solverConfig;
+
+  std::string config_path = "./configs/robertson";
+  ConfigParseStatus status = solverConfig.ReadAndParse(config_path);
+  if (status != micm::ConfigParseStatus::Success)
+  {
+    throw "Parsing failed";
+  }
+
+  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
+
+  auto chemical_system = solver_params.system_;
+  auto reactions = solver_params.processes_;
+
+  RosenbrockSolver<> solver{ chemical_system,
+                                  reactions,
+                                  RosenbrockSolverParameters::three_stage_rosenbrock_parameters(1, false) };
+  State<Matrix> state = solver.GetState();
+
+  // mol m-3
+  state.variables_[0] = { 1, 0, 0 };
+
+  double k1 = 0.04;
+  double k2 = 3e7;
+  double k3 = 1e4;
+  state.SetCustomRateParameter("PHOTO.r1", k1);
+  state.SetCustomRateParameter("PHOTO.r2", k2);
+  state.SetCustomRateParameter("PHOTO.r3", k3);
+
+  double temperature = 272.5;  // [K]
+  double pressure = 101253.3;  // [Pa]
+  double air_density = 1e6;    // [mol m-3]
+
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.conditions_[0].air_density_ = air_density;
+
+  double time_step = 200;  // s
+
+  print_header();
+  print_state(0, state);
+  for (int i = 0; i < 10; ++i)
+  {
+    double elapsed_solve_time = 0;
+
+    while (elapsed_solve_time < time_step)
+    {
+      auto result = solver.Solve(time_step - elapsed_solve_time, state);
+      elapsed_solve_time = result.final_time_;
+      state.variables_ = result.result_;
+    }
+    print_state(time_step * (i + 1), state);
+  }
+}
\ No newline at end of file
diff --git a/test/tutorial/test_but_how_fast_is_it.cpp b/test/tutorial/test_but_how_fast_is_it.cpp
index 0cb133a83..cdc114fd3 100644
--- a/test/tutorial/test_but_how_fast_is_it.cpp
+++ b/test/tutorial/test_but_how_fast_is_it.cpp
@@ -7,12 +7,6 @@
 // Use our namespace so that this example is easier to read
 using namespace micm;
 
-// The Rosenbrock solver can use many matrix ordering types
-// Here, we use the default ordering, but we still need to provide a templated
-// Arguent to the solver so it can use the proper ordering with any data type
-template<class T>
-using SparseMatrixPolicy = SparseMatrix<T>;
-
 int main()
 {
   auto a = Species("A");
@@ -39,7 +33,7 @@ int main()
                    .rate_constant(UserDefinedRateConstant({ .label_ = "r3" }))
                    .phase(gas_phase);
 
-  RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{ System(SystemParameters{ .gas_phase_ = gas_phase }),
+  RosenbrockSolver<> solver{ System(SystemParameters{ .gas_phase_ = gas_phase }),
                                                        std::vector<Process>{ r1, r2, r3 },
                                                        RosenbrockSolverParameters::three_stage_rosenbrock_parameters(
                                                            3, false) };
diff --git a/test/tutorial/test_multiple_grid_cells.cpp b/test/tutorial/test_multiple_grid_cells.cpp
index 57b17c691..bf0216108 100644
--- a/test/tutorial/test_multiple_grid_cells.cpp
+++ b/test/tutorial/test_multiple_grid_cells.cpp
@@ -6,12 +6,6 @@
 // Use our namespace so that this example is easier to read
 using namespace micm;
 
-// The Rosenbrock solver can use many matrix ordering types
-// Here, we use the default ordering, but we still need to provide a templated
-// Arguent to the solver so it can use the proper ordering with any data type
-template<class T>
-using SparseMatrixPolicy = SparseMatrix<T>;
-
 void print_header()
 {
   std::cout << std::setw(5) << "time"
@@ -76,7 +70,7 @@ int main()
                          .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r3" }))
                          .phase(gas_phase);
 
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixPolicy> solver{
+  micm::RosenbrockSolver<> solver{
     micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
     std::vector<micm::Process>{ r1, r2, r3 },
     micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(3, false)
diff --git a/test/tutorial/test_rate_constants_user_defined_by_hand.cpp b/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
index 6938c20ee..df997e096 100644
--- a/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
+++ b/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
@@ -15,12 +15,6 @@
 // Use our namespace so that this example is easier to read
 using namespace micm;
 
-// The Rosenbrock solver can use many matrix ordering types
-// Here, we use the default ordering, but we still need to provide a templated
-// Arguent to the solver so it can use the proper ordering with any data type
-template<class T>
-using SparseMatrixPolicy = SparseMatrix<T>;
-
 void print_header()
 {
   std::cout << std::setw(5) << "time"
@@ -152,7 +146,7 @@ int main(const int argc, const char* argv[])
   auto chemical_system = System(micm::SystemParameters{ .gas_phase_ = gas_phase });
   auto reactions = std::vector<micm::Process>{ r1, r2, r3, r4, r5, r6, r7, r8, r9, r10 };
 
-  RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{ chemical_system,
+  RosenbrockSolver<> solver{ chemical_system,
                                                        reactions,
                                                        RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
   State state = solver.GetState();
diff --git a/test/tutorial/test_rate_constants_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_user_defined_with_config.cpp
index 2d0218ecf..60ba430e4 100644
--- a/test/tutorial/test_rate_constants_user_defined_with_config.cpp
+++ b/test/tutorial/test_rate_constants_user_defined_with_config.cpp
@@ -15,12 +15,6 @@
 // Use our namespace so that this example is easier to read
 using namespace micm;
 
-// The Rosenbrock solver can use many matrix ordering types
-// Here, we use the default ordering, but we still need to provide a templated
-// Arguent to the solver so it can use the proper ordering with any data type
-template<class T>
-using SparseMatrixPolicy = SparseMatrix<T>;
-
 void print_header()
 {
   std::cout << std::setw(5) << "time"
@@ -68,7 +62,7 @@ int main(const int argc, const char* argv[])
   auto chemical_system = solver_params.system_;
   auto reactions = solver_params.processes_;
 
-  RosenbrockSolver<Matrix, SparseMatrixPolicy> solver{ chemical_system,
+  RosenbrockSolver<> solver{ chemical_system,
                                                        reactions,
                                                        RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
 
diff --git a/test/tutorial/test_solver_configuration.cpp b/test/tutorial/test_solver_configuration.cpp
index 7f208005b..611fadecc 100644
--- a/test/tutorial/test_solver_configuration.cpp
+++ b/test/tutorial/test_solver_configuration.cpp
@@ -7,12 +7,6 @@
 // Use our namespace so that this example is easier to read
 using namespace micm;
 
-// The Rosenbrock solver can use many matrix ordering types
-// Here, we use the default ordering, but we still need to provide a templated
-// Arguent to the solver so it can use the proper ordering with any data type
-template<class T>
-using SparseMatrixPolicy = SparseMatrix<T>;
-
 void print_header()
 {
   std::cout << std::setw(5) << "time"
@@ -150,23 +144,23 @@ int main()
   auto system = System(SystemParameters{ .gas_phase_ = gas_phase });
   auto reactions = std::vector<Process>{ r1, r2, r3 };
 
-  RosenbrockSolver<Matrix, SparseMatrixPolicy> two_stage{
+  RosenbrockSolver<> two_stage{
     system, reactions, RosenbrockSolverParameters::two_stage_rosenbrock_parameters()
   };
 
-  RosenbrockSolver<Matrix, SparseMatrixPolicy> three_stage{
+  RosenbrockSolver<> three_stage{
     system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
   };
 
-  RosenbrockSolver<Matrix, SparseMatrixPolicy> four_stage{
+  RosenbrockSolver<> four_stage{
     system, reactions, RosenbrockSolverParameters::four_stage_rosenbrock_parameters()
   };
 
-  RosenbrockSolver<Matrix, SparseMatrixPolicy> four_stage_da{
+  RosenbrockSolver<> four_stage_da{
     system, reactions, RosenbrockSolverParameters::four_stage_differential_algebraic_rosenbrock_parameters()
   };
 
-  RosenbrockSolver<Matrix, SparseMatrixPolicy> six_stage_da{
+  RosenbrockSolver<> six_stage_da{
     system, reactions, RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters()
   };
 

From c7e7118e2a2876667cf4e871e169a6f9d0acfcec Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 18 Oct 2023 17:16:00 -0500
Subject: [PATCH 146/318] only using one if block

---
 include/micm/process/process.hpp | 12 +-----------
 1 file changed, 1 insertion(+), 11 deletions(-)

diff --git a/include/micm/process/process.hpp b/include/micm/process/process.hpp
index 7eb09a62a..92c0c5250 100644
--- a/include/micm/process/process.hpp
+++ b/include/micm/process/process.hpp
@@ -67,21 +67,11 @@ namespace micm
           rate_constant_(std::move(rate_constant)),
           phase_(phase)
     {
-      if (dynamic_cast<ArrheniusRateConstant*>(rate_constant_.get())) {
-      }
-      else if (dynamic_cast<BranchedRateConstant*>(rate_constant_.get())) {
-      }
-      else if (dynamic_cast<SurfaceRateConstant*>(rate_constant_.get())) {
+      if (dynamic_cast<SurfaceRateConstant*>(rate_constant_.get())) {
         if (reactants_.size() > 1) {
           throw std::runtime_error("A surface rate constant can only have one reactant");
         }
       }
-      else if (dynamic_cast<TernaryChemicalActivationRateConstant*>(rate_constant_.get())) {
-      }
-      else if (dynamic_cast<TroeRateConstant*>(rate_constant_.get())) {
-      }
-      else if (dynamic_cast<TunnelingRateConstant*>(rate_constant_.get())) {
-      }
     }
 
     Process& operator=(const Process& other)

From 8e35578b34eed468603bf06ebb1276bab26b5af6 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Wed, 18 Oct 2023 16:27:52 -0700
Subject: [PATCH 147/318] add missing include

---
 include/micm/system/phase.hpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/include/micm/system/phase.hpp b/include/micm/system/phase.hpp
index 3928a5c2e..c922acaf2 100644
--- a/include/micm/system/phase.hpp
+++ b/include/micm/system/phase.hpp
@@ -5,6 +5,7 @@
 #pragma once
 
 #include <micm/system/species.hpp>
+#include <algorithm>
 #include <vector>
 
 namespace micm

From 08e486f4dbbd2d050a6e229dfff14f0ff22cd7ea Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Wed, 18 Oct 2023 16:51:26 -0700
Subject: [PATCH 148/318] fix template args in terminator test

---
 test/integration/terminator.cpp | 11 +++++++----
 1 file changed, 7 insertions(+), 4 deletions(-)

diff --git a/test/integration/terminator.cpp b/test/integration/terminator.cpp
index 813a37c6c..b08446b00 100644
--- a/test/integration/terminator.cpp
+++ b/test/integration/terminator.cpp
@@ -10,6 +10,9 @@
 #include <micm/util/sparse_matrix_vector_ordering.hpp>
 #include <micm/util/vector_matrix.hpp>
 
+template<class T>
+using SparseMatrixTest = micm::SparseMatrix<T>;
+
 template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
 void RunTerminatorTest(std::size_t number_of_grid_cells)
 {
@@ -28,10 +31,10 @@ void RunTerminatorTest(std::size_t number_of_grid_cells)
 
 TEST(RosenbrockSolver, Terminator)
 {
-  RunTerminatorTest<micm::Matrix, micm::SparseMatrix, micm::LinearSolver<double, micm::SparseMatrix>>(2);
-  RunTerminatorTest<micm::Matrix, micm::SparseMatrix, micm::LinearSolver<double, micm::SparseMatrix>>(2);
-  RunTerminatorTest<micm::Matrix, micm::SparseMatrix, micm::LinearSolver<double, micm::SparseMatrix>>(3);
-  RunTerminatorTest<micm::Matrix, micm::SparseMatrix, micm::LinearSolver<double, micm::SparseMatrix>>(4);
+  RunTerminatorTest<micm::Matrix, SparseMatrixTest, micm::LinearSolver<double, SparseMatrixTest>>(2);
+  RunTerminatorTest<micm::Matrix, SparseMatrixTest, micm::LinearSolver<double, SparseMatrixTest>>(2);
+  RunTerminatorTest<micm::Matrix, SparseMatrixTest, micm::LinearSolver<double, SparseMatrixTest>>(3);
+  RunTerminatorTest<micm::Matrix, SparseMatrixTest, micm::LinearSolver<double, SparseMatrixTest>>(4);
 }
 
 template<class T>

From ec206447e8e41bc1c0bcd9da57b9ba27a9815f09 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Wed, 18 Oct 2023 17:00:30 -0700
Subject: [PATCH 149/318] relax terminator test tolerance

---
 test/integration/terminator.hpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/test/integration/terminator.hpp b/test/integration/terminator.hpp
index 1a57f475f..3d300c58e 100644
--- a/test/integration/terminator.hpp
+++ b/test/integration/terminator.hpp
@@ -93,9 +93,9 @@ void TestTerminator(
       double cl_f = -l * (cl_i - det + r) * (cl_i + det + r) / (1.0 + e + dt * l * (cl_i + r));
       double cl2_f = -cl_f / 2.0;
       EXPECT_NEAR(
-          result.result_[i_cell][state.variable_map_["Cl"]], cl_i + dt * cl_f, (cl_i + dt * cl_f) * 1.0e-8 + 1.0e-15);
+          result.result_[i_cell][state.variable_map_["Cl"]], cl_i + dt * cl_f, (cl_i + dt * cl_f) * 1.0e-7 + 1.0e-14);
       EXPECT_NEAR(
-          result.result_[i_cell][state.variable_map_["Cl2"]], cl2_i + dt * cl2_f, (cl2_i + dt * cl2_f) * 1.0e-8 + 1.0e-15);
+          result.result_[i_cell][state.variable_map_["Cl2"]], cl2_i + dt * cl2_f, (cl2_i + dt * cl2_f) * 1.0e-7 + 1.0e-14);
     }
   }
 }

From 28daf41dd54e8385bfe8bc765e9165bd604445d0 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Fri, 20 Oct 2023 09:33:09 -0600
Subject: [PATCH 150/318] Added the ReadAndParseSystemObjectfromMZ326 unit
 test.

---
 include/micm/configure/camp_config.hpp      | 15 ++++++----
 test/unit/configure/test_camp_config.cpp    | 33 +++++++++++++++++++++
 test/unit/unit_configs/MZ326/reactions.json |  3 --
 3 files changed, 42 insertions(+), 9 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 350b023ed..fa3a7e29d 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -153,10 +153,10 @@ namespace micm
           {
             camp_files.push_back(reactions_config);
           }
-          if (std::filesystem::exists(tolerance_config))
-          {
-            camp_files.push_back(tolerance_config);
-          }
+          // if (std::filesystem::exists(tolerance_config))
+          // {
+          //   camp_files.push_back(tolerance_config);
+          // }
         }
 
         // No config files found
@@ -176,8 +176,10 @@ namespace micm
 
           if (!config_subset.contains(CAMP_DATA))
             return ConfigParseStatus::CAMPDataSectionNotFound;
-          // json camp_subset = config_subset[CAMP_DATA];
-
+          // std::cout << "config_subset" << std::endl; 
+          // std::cout << config_subset.dump(4) << std::endl;
+          json camp_subset = config_subset[CAMP_DATA];
+          // need to this merge differently, to work with camp_subset objects
           std::copy(config_subset.begin(), config_subset.end(),
             std::back_inserter(camp_data));
         }
@@ -187,6 +189,7 @@ namespace micm
         status = Configure(camp_data);
 
         // Assign the parsed 'Species' to 'Phase'
+        std::cout << "Parse species_arr_ size " << species_arr_.size() << std::endl;
         gas_phase_ = Phase(species_arr_);
 
         return status;
diff --git a/test/unit/configure/test_camp_config.cpp b/test/unit/configure/test_camp_config.cpp
index 82ded148d..aef58fec7 100644
--- a/test/unit/configure/test_camp_config.cpp
+++ b/test/unit/configure/test_camp_config.cpp
@@ -136,3 +136,36 @@ TEST(SolverConfig, ReadAndParseProcessObjects)
   }
 }
 
+//
+// Tests for MZ326 configure files
+//
+TEST(SolverConfig, ReadAndParseSystemObjectfromMZ326)
+{
+  micm::SolverConfig solverConfig;
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/MZ326");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+
+  // Get solver parameters ('System', the collection of 'Process')
+  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
+
+  // Check 'gas_phase' in 'System'
+  EXPECT_EQ(solver_params.system_.gas_phase_.species_.size(), 6);
+
+  // Check 'phases' in 'System'
+  EXPECT_EQ(solver_params.system_.phases_.size(), 0);
+
+  // Check 'name' and molecular_weight from 'properties' in 'Species'
+  std::vector<std::pair<std::string, double>> species_name_and_molecular_weight = {
+    std::make_pair("ALKNIT", 0.133141), std::make_pair("BZOOH", 0.124135), std::make_pair("C6H5OOH", 0.110109),
+    std::make_pair("COF2", 0.0),        std::make_pair("O2", 0.0),         std::make_pair("FUR2O2", 0.0)
+  };
+
+  short idx = 0;
+  for (const auto& s : solver_params.system_.gas_phase_.species_)
+  {
+    EXPECT_EQ(s.name_, species_name_and_molecular_weight[idx].first);
+    EXPECT_EQ(s.properties_.at("molecular weight [kg mol-1]"), species_name_and_molecular_weight[idx].second);
+    idx++;
+  }
+}
+
diff --git a/test/unit/unit_configs/MZ326/reactions.json b/test/unit/unit_configs/MZ326/reactions.json
index 1903b5e94..d0c8c042d 100644
--- a/test/unit/unit_configs/MZ326/reactions.json
+++ b/test/unit/unit_configs/MZ326/reactions.json
@@ -1,7 +1,4 @@
 {
-    "comments": [ "This mechanism may contain refactored reactions based on custom",
-                  "...." 
-                ],
     "camp-data": [
       {
         "name": "MZ326_TS1.3_20230106",

From 8cc1e27f8832f9d9534240e6f6478ef14261a077 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Fri, 20 Oct 2023 09:42:41 -0600
Subject: [PATCH 151/318] Restored all unit tests from test_solver_config.

---
 test/unit/configure/test_camp_config.cpp | 93 ++++++++++++++++++++++++
 1 file changed, 93 insertions(+)

diff --git a/test/unit/configure/test_camp_config.cpp b/test/unit/configure/test_camp_config.cpp
index aef58fec7..f245e3c3e 100644
--- a/test/unit/configure/test_camp_config.cpp
+++ b/test/unit/configure/test_camp_config.cpp
@@ -169,3 +169,96 @@ TEST(SolverConfig, ReadAndParseSystemObjectfromMZ326)
   }
 }
 
+TEST(SolverConfig, ReadAndParseProcessObjectsfromMZ326)
+{
+  micm::SolverConfig solverConfig;
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/MZ326");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+
+  // Get solver parameters ('System', the collection of 'Process')
+  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
+
+  auto& process_vector = solver_params.processes_;
+
+  // Check the number of 'Process' created
+  EXPECT_EQ(process_vector.size(), 5);
+
+  // Check the number of 'reactants' and 'products' in each 'Process'
+  // Check 'yield' value for the first product and the number of 'spieces in 'phase' in each 'Process'
+  int num_reactants_in_each_process[] = { 2, 2, 2, 1, 1 };
+  int num_products_in_each_process[] = { 5, 5, 2, 3, 2 };
+  int num_phase_in_each_process = 6;
+
+  short idx = 0;
+  for (const auto& p : process_vector)
+  {
+    EXPECT_EQ(p.reactants_.size(), num_reactants_in_each_process[idx]);
+    EXPECT_EQ(p.products_.size(), num_products_in_each_process[idx]);
+    // EXPECT_EQ(p.phase_.species_.size(), num_phase_in_each_process);
+    idx++;
+  }
+
+  // Check the parameters for 'TroeRateConstant'
+  micm::TroeRateConstant* troe_rate_const = nullptr;
+  double k0_A_param[] = { 5.5e-30, 1.07767 };
+  double k0_B_param[] = { 0.0, -5.6 };
+  double k0_C_param[] = { 0.0, -14000 };
+  double kinf_A_param[] = { 8.3e-13, 1.03323e+17 };
+  double kinf_B_param[] = { 0.0, 0.0 };
+  double kinf_C_param[] = { 0.0, -14000 };
+  double Fc_param[] = { 0.6, 0.6 };
+  double N_param[] = { -2, 1.5 };
+
+  idx = 0;
+  for (short i : { 0, 4 })
+  {
+    troe_rate_const = dynamic_cast<micm::TroeRateConstant*>(process_vector[i].rate_constant_.get());
+
+    EXPECT_TRUE(troe_rate_const != nullptr);
+    EXPECT_EQ(troe_rate_const->parameters_.k0_A_, k0_A_param[idx]);
+    EXPECT_EQ(troe_rate_const->parameters_.k0_B_, k0_B_param[idx]);
+    EXPECT_EQ(troe_rate_const->parameters_.k0_C_, k0_C_param[idx]);
+    EXPECT_EQ(troe_rate_const->parameters_.kinf_A_, kinf_A_param[idx]);
+    EXPECT_EQ(troe_rate_const->parameters_.kinf_B_, kinf_B_param[idx]);
+    EXPECT_EQ(troe_rate_const->parameters_.kinf_C_, kinf_C_param[idx]);
+    EXPECT_EQ(troe_rate_const->parameters_.Fc_, Fc_param[idx]);
+    EXPECT_EQ(troe_rate_const->parameters_.N_, N_param[idx]);
+
+    idx++;
+  }
+
+  // Check the name for 'UserDefinedRateConstant'
+  micm::UserDefinedRateConstant* photolysis_rate_const = nullptr;
+  std::string photolysis_name = "PHOTO.jterpnit";
+
+  for (short i : { 3 })
+  {
+    photolysis_rate_const = dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[i].rate_constant_.get());
+
+    EXPECT_TRUE(photolysis_rate_const != nullptr);
+    EXPECT_EQ(photolysis_rate_const->CustomParameters()[0], photolysis_name);
+  }
+
+  // Check the parameters for 'ArrheniusRateConstant'
+  micm::ArrheniusRateConstant* arrhenius_rate_const = nullptr;
+  double A_param[] = { 2.0e-12, 3.8e-12 };
+  double B_param[] = { 0.0, 0.0 };
+  double C_param[] = { -1 * -6.90325e-21 / 1.3806505e-23, -1 * -2.7613e-21 / 1.3806505e-23 };
+  double D_param[] = { 300.0, 300.0 };
+  double E_param[] = { 0.0, 0.0 };
+
+  idx = 0;
+  for (short i : { 1, 2 })
+  {
+    arrhenius_rate_const = dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[i].rate_constant_.get());
+
+    EXPECT_TRUE(arrhenius_rate_const != nullptr);
+    EXPECT_DOUBLE_EQ(arrhenius_rate_const->parameters_.A_, A_param[idx]);
+    EXPECT_DOUBLE_EQ(arrhenius_rate_const->parameters_.B_, B_param[idx]);
+    EXPECT_DOUBLE_EQ(arrhenius_rate_const->parameters_.C_, C_param[idx]);
+    EXPECT_DOUBLE_EQ(arrhenius_rate_const->parameters_.D_, D_param[idx]);
+    EXPECT_DOUBLE_EQ(arrhenius_rate_const->parameters_.E_, E_param[idx]);
+
+    idx++;
+  }
+}

From 11822d9e61925274a9b864637c1e187f03a260ee Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Fri, 20 Oct 2023 09:44:32 -0700
Subject: [PATCH 152/318] remove unneeded index from linear solver

---
 include/micm/solver/linear_solver.inl | 14 ++------------
 1 file changed, 2 insertions(+), 12 deletions(-)

diff --git a/include/micm/solver/linear_solver.inl b/include/micm/solver/linear_solver.inl
index ec6ebbad3..310f661bb 100644
--- a/include/micm/solver/linear_solver.inl
+++ b/include/micm/solver/linear_solver.inl
@@ -138,17 +138,11 @@ namespace micm
         }
       }
       {
-        auto y_elem = std::next(y_cell.end(), -1);
         auto x_elem = std::next(x_cell.end(), -1);
         auto Uij_xj = Uij_xj_.begin();
         for (auto& nUij_Uii : nUij_Uii_)
         {
-          // don't iterate before the beginning of the vector
-          if (y_elem != y_cell.begin())
-          {
-            --y_elem;
-          }
-
+          // x_elem starts out as y_elem from the previous loop
           for (std::size_t i = 0; i < nUij_Uii.first; ++i)
           {
             *x_elem -= upper_matrix_.AsVector()[upper_grid_offset + (*Uij_xj).first] * x_cell[(*Uij_xj).second];
@@ -203,15 +197,11 @@ namespace micm
         }
       }
       {
-        auto y_elem = std::next(y_group, x.GroupSize() - n_cells);
         auto x_elem = std::next(x_group, x.GroupSize() - n_cells);
         auto Uij_xj = Uij_xj_.begin();
         for (auto& nUij_Uii : nUij_Uii_)
         {
-          // don't iterate before the beginning of the vector
-          std::size_t y_elem_distance = std::distance(x.AsVector().begin(), y_elem);
-          y_elem -= std::min(n_cells, y_elem_distance);
-
+          // x_elem starts out as y_elem from the previous loop
           for (std::size_t i = 0; i < nUij_Uii.first; ++i)
           {
             for (std::size_t i_cell = 0; i_cell < n_cells; ++i_cell)

From 1d24332dbad4e1e8c8c2fd45c83326ab09918767 Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Fri, 20 Oct 2023 14:40:05 -0600
Subject: [PATCH 153/318] Simplified top level multi-file parsing.  Assemble
 CAMP data object list within iteration over CAMP files.

---
 include/micm/configure/camp_config.hpp      | 51 ++++++++-------------
 test/unit/unit_configs/MZ326/reactions.json |  3 ++
 2 files changed, 21 insertions(+), 33 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index fa3a7e29d..62d2f709c 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -153,10 +153,10 @@ namespace micm
           {
             camp_files.push_back(reactions_config);
           }
-          // if (std::filesystem::exists(tolerance_config))
-          // {
-          //   camp_files.push_back(tolerance_config);
-          // }
+          if (std::filesystem::exists(tolerance_config))
+          {
+            camp_files.push_back(tolerance_config);
+          }
         }
 
         // No config files found
@@ -167,26 +167,30 @@ namespace micm
           return ConfigParseStatus::NoConfigFilesFound;
         }
 
-        // Merge config JSON from CAMP file list
-        json camp_data;
+        // Iterate CAMP file list and form CAMP data object list
+        std::vector<json> objects;
+
         for (const auto& camp_file : camp_files)
         {
           std::cout << "JsonReaderPolicy.Parse CAMP file " << camp_file << std::endl;
           json config_subset = json::parse(std::ifstream(camp_file));
 
-          if (!config_subset.contains(CAMP_DATA))
+          if (config_subset.contains(CAMP_DATA))
+          {
+            for (const auto& object : config_subset[CAMP_DATA])
+            {
+              objects.push_back(object);
+            }
+          }
+          else
+          {
             return ConfigParseStatus::CAMPDataSectionNotFound;
-          // std::cout << "config_subset" << std::endl; 
-          // std::cout << config_subset.dump(4) << std::endl;
-          json camp_subset = config_subset[CAMP_DATA];
-          // need to this merge differently, to work with camp_subset objects
-          std::copy(config_subset.begin(), config_subset.end(),
-            std::back_inserter(camp_data));
+          }
         }
 
         ConfigParseStatus status;
 
-        status = Configure(camp_data);
+        status = ParseObjectArray(objects);
 
         // Assign the parsed 'Species' to 'Phase'
         std::cout << "Parse species_arr_ size " << species_arr_.size() << std::endl;
@@ -197,25 +201,6 @@ namespace micm
 
     private:
 
-      ConfigParseStatus Configure(const json& config_data)
-      {
-        ConfigParseStatus status = ConfigParseStatus::None;
-
-        std::vector<json> objects;
-
-        for (const auto& section : config_data)
-        {
-          for (const auto& object : section)
-          {
-            objects.push_back(object);
-          }
-        }
-
-        status = ParseObjectArray(objects);
-
-        return status;
-      }
-
       ConfigParseStatus ParseObjectArray(const std::vector<json>& objects)
       {
         ConfigParseStatus status = ConfigParseStatus::None;
diff --git a/test/unit/unit_configs/MZ326/reactions.json b/test/unit/unit_configs/MZ326/reactions.json
index d0c8c042d..1903b5e94 100644
--- a/test/unit/unit_configs/MZ326/reactions.json
+++ b/test/unit/unit_configs/MZ326/reactions.json
@@ -1,4 +1,7 @@
 {
+    "comments": [ "This mechanism may contain refactored reactions based on custom",
+                  "...." 
+                ],
     "camp-data": [
       {
         "name": "MZ326_TS1.3_20230106",

From e8b3f7f99f42fd5151b74a9287f303b7e7d5c8b6 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Fri, 20 Oct 2023 14:22:38 -0700
Subject: [PATCH 154/318] add singularity check to LU decomposition

---
 include/micm/solver/linear_solver.hpp         |  7 +++++
 include/micm/solver/linear_solver.inl         |  6 +++++
 include/micm/solver/lu_decomposition.hpp      | 17 ++++++++++--
 include/micm/solver/lu_decomposition.inl      | 27 ++++++++++++++++---
 include/micm/solver/rosenbrock.hpp            |  1 +
 include/micm/solver/rosenbrock.inl            | 10 +++++--
 .../unit/solver/test_jit_lu_decomposition.cpp | 26 ++++++++++++++++++
 test/unit/solver/test_lu_decomposition.cpp    | 22 +++++++++++++++
 .../solver/test_lu_decomposition_policy.hpp   | 25 +++++++++++++++++
 9 files changed, 134 insertions(+), 7 deletions(-)

diff --git a/include/micm/solver/linear_solver.hpp b/include/micm/solver/linear_solver.hpp
index 2a53386cf..cd86f107b 100644
--- a/include/micm/solver/linear_solver.hpp
+++ b/include/micm/solver/linear_solver.hpp
@@ -71,7 +71,14 @@ namespace micm
         const std::function<LuDecompositionPolicy(const SparseMatrixPolicy<T>&)> create_lu_decomp);
 
     /// @brief Decompose the matrix into upper and lower triangular matrices
+    /// @param matrix Matrix to decompose into lower and upper triangular matrices
+    /// @param is_singular Flag that is set to true if matrix is singular; false otherwise
     void Factor(const SparseMatrixPolicy<T>& matrix);
+    
+    /// @brief Decompose the matrix into upper and lower triangular matrices
+    /// @param matrix Matrix to decompose into lower and upper triangular matrices
+    /// @param is_singular Flag that is set to true if matrix is singular; false otherwise
+    void Factor(const SparseMatrixPolicy<T>& matrix, bool& is_singular);
 
     /// @brief Solve for x in Ax = b
     template<template<class> class MatrixPolicy>
diff --git a/include/micm/solver/linear_solver.inl b/include/micm/solver/linear_solver.inl
index 310f661bb..0e1957aab 100644
--- a/include/micm/solver/linear_solver.inl
+++ b/include/micm/solver/linear_solver.inl
@@ -110,6 +110,12 @@ namespace micm
     lu_decomp_.template Decompose<T, SparseMatrixPolicy>(matrix, lower_matrix_, upper_matrix_);
   }
 
+  template<typename T, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
+  inline void LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy>::Factor(const SparseMatrixPolicy<T>& matrix, bool& is_singular)
+  {
+    lu_decomp_.template Decompose<T, SparseMatrixPolicy>(matrix, lower_matrix_, upper_matrix_, is_singular);
+  }
+
   template<typename T, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
   template<template<class> class MatrixPolicy>
     requires(!VectorizableDense<MatrixPolicy<T>> || !VectorizableSparse<SparseMatrixPolicy<T>>)
diff --git a/include/micm/solver/lu_decomposition.hpp b/include/micm/solver/lu_decomposition.hpp
index b075abe54..fb2b8f693 100644
--- a/include/micm/solver/lu_decomposition.hpp
+++ b/include/micm/solver/lu_decomposition.hpp
@@ -91,15 +91,28 @@ namespace micm
     /// @param L The lower triangular matrix created by decomposition
     /// @param U The upper triangular matrix created by decomposition
     template<typename T, template<class> class SparseMatrixPolicy>
-    requires(!VectorizableSparse<SparseMatrixPolicy<T>>) void Decompose(
+    void Decompose(
         const SparseMatrixPolicy<T>& A,
         SparseMatrixPolicy<T>& L,
         SparseMatrixPolicy<T>& U) const;
+
+    /// @brief Perform an LU decomposition on a given A matrix
+    /// @param A Sparse matrix to decompose
+    /// @param L The lower triangular matrix created by decomposition
+    /// @param U The upper triangular matrix created by decomposition
+    /// @param is_singular Flag that is set to true if A is singular; false otherwise
+    template<typename T, template<class> class SparseMatrixPolicy>
+    requires(!VectorizableSparse<SparseMatrixPolicy<T>>) void Decompose(
+        const SparseMatrixPolicy<T>& A,
+        SparseMatrixPolicy<T>& L,
+        SparseMatrixPolicy<T>& U,
+        bool& is_singular) const;
     template<typename T, template<class> class SparseMatrixPolicy>
     requires(VectorizableSparse<SparseMatrixPolicy<T>>) void Decompose(
         const SparseMatrixPolicy<T>& A,
         SparseMatrixPolicy<T>& L,
-        SparseMatrixPolicy<T>& U) const;
+        SparseMatrixPolicy<T>& U,
+        bool& is_singular) const;
   };
 
 }  // namespace micm
diff --git a/include/micm/solver/lu_decomposition.inl b/include/micm/solver/lu_decomposition.inl
index 19064bca2..0483970ef 100644
--- a/include/micm/solver/lu_decomposition.inl
+++ b/include/micm/solver/lu_decomposition.inl
@@ -145,9 +145,17 @@ namespace micm
   }
 
   template<typename T, template<class> class SparseMatrixPolicy>
-    requires(!VectorizableSparse<SparseMatrixPolicy<T>>)
   inline void LuDecomposition::Decompose(const SparseMatrixPolicy<T>& A, SparseMatrixPolicy<T>& L, SparseMatrixPolicy<T>& U)
       const
+  {
+    bool is_singular;
+    Decompose<T, SparseMatrixPolicy>(A, L, U, is_singular);
+  }
+
+  template<typename T, template<class> class SparseMatrixPolicy>
+    requires(!VectorizableSparse<SparseMatrixPolicy<T>>)
+  inline void LuDecomposition::Decompose(const SparseMatrixPolicy<T>& A, SparseMatrixPolicy<T>& L, SparseMatrixPolicy<T>& U, bool& is_singular)
+      const
   {
     // Loop over blocks
     for (std::size_t i_block = 0; i_block < A.size(); ++i_block)
@@ -164,6 +172,7 @@ namespace micm
       auto lki_nkj = lki_nkj_.begin();
       auto lkj_uji = lkj_uji_.begin();
       auto uii = uii_.begin();
+      is_singular = false;
       for (auto& inLU : niLU_)
       {
         // Upper trianglur matrix
@@ -189,6 +198,11 @@ namespace micm
             L_vector[lki_nkj->first] -= L_vector[lkj_uji->first] * U_vector[lkj_uji->second];
             ++lkj_uji;
           }
+          if( U_vector[*uii] == 0.0 )
+          {
+            is_singular = true;
+            return;
+          }
           L_vector[lki_nkj->first] /= U_vector[*uii];
           ++lki_nkj;
           ++uii;
@@ -199,10 +213,9 @@ namespace micm
 
   template<typename T, template<class> class SparseMatrixPolicy>
     requires(VectorizableSparse<SparseMatrixPolicy<T>>)
-  inline void LuDecomposition::Decompose(const SparseMatrixPolicy<T>& A, SparseMatrixPolicy<T>& L, SparseMatrixPolicy<T>& U)
+  inline void LuDecomposition::Decompose(const SparseMatrixPolicy<T>& A, SparseMatrixPolicy<T>& L, SparseMatrixPolicy<T>& U, bool& is_singular)
       const
   {
-    const std::size_t n_cells = A.GroupVectorSize();
     // Loop over groups of blocks
     for (std::size_t i_group = 0; i_group < A.NumberOfGroups(A.size()); ++i_group)
     {
@@ -218,6 +231,8 @@ namespace micm
       auto lki_nkj = lki_nkj_.begin();
       auto lkj_uji = lkj_uji_.begin();
       auto uii = uii_.begin();
+      is_singular = false;
+      const std::size_t n_cells = std::min(A.GroupVectorSize(), A.size() - i_group * A.GroupVectorSize());
       for (auto& inLU : niLU_)
       {
         // Upper trianglur matrix
@@ -256,7 +271,13 @@ namespace micm
             ++lkj_uji;
           }
           for (std::size_t i_cell = 0; i_cell < n_cells; ++i_cell)
+          {
+            if (U_vector[*uii + i_cell] == 0.0) {
+              is_singular = true;
+              return;
+            }
             L_vector[lki_nkj->first + i_cell] /= U_vector[*uii + i_cell];
+          }
           ++lki_nkj;
           ++uii;
         }
diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index 99f95af55..4ad24239b 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -84,6 +84,7 @@ namespace micm
 
     size_t number_of_grid_cells_{ 1 };  // Number of grid cells to solve simultaneously
     bool reorder_state_{ true };        // Reorder state during solver construction to minimize LU fill-in
+    bool check_singularity_{ false };   // Check for singular A matrix in linear solve of A x = b
 
     // Print RosenbrockSolverParameters to console
     void print() const;
diff --git a/include/micm/solver/rosenbrock.inl b/include/micm/solver/rosenbrock.inl
index bdb582fb3..4f3f1b7eb 100644
--- a/include/micm/solver/rosenbrock.inl
+++ b/include/micm/solver/rosenbrock.inl
@@ -757,12 +757,18 @@ namespace micm
     // From my understanding the fortran do loop would only ever do one iteration and is equivalent to what's below
     SparseMatrixPolicy<double> jacobian = jacobian_;
     uint64_t n_consecutive = 0;
-    singular = true;
+    singular = false;
     while (true)
     {
       double alpha = 1 / (H * gamma);
       AlphaMinusJacobian(jacobian, alpha);
-      linear_solver_.Factor(jacobian);
+      if (parameters_.check_singularity_)
+      {
+        linear_solver_.Factor(jacobian, singular);
+      } else {
+        singular = false;
+        linear_solver_.Factor(jacobian);
+      }
       singular = false;  // TODO This should be evaluated in some way
       stats_.decompositions += 1;
       if (!singular)
diff --git a/test/unit/solver/test_jit_lu_decomposition.cpp b/test/unit/solver/test_jit_lu_decomposition.cpp
index 188373534..2a51853dc 100644
--- a/test/unit/solver/test_jit_lu_decomposition.cpp
+++ b/test/unit/solver/test_jit_lu_decomposition.cpp
@@ -41,6 +41,32 @@ TEST(JitLuDecomposition, DenseMatrixVectorOrdering)
       });
 }
 
+TEST(JitLuDecomposition, SingularMatrixVectorOrdering)
+{
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  testSingularMatrix<Group1SparseVectorMatrix, micm::JitLuDecomposition<1>>(
+      [&](const Group1SparseVectorMatrix<double>& matrix) -> micm::JitLuDecomposition<1> {
+        return micm::JitLuDecomposition<1>{ jit.get(), matrix };
+      });
+  testSingularMatrix<Group2SparseVectorMatrix, micm::JitLuDecomposition<2>>(
+      [&](const Group2SparseVectorMatrix<double>& matrix) -> micm::JitLuDecomposition<2> {
+        return micm::JitLuDecomposition<2>{ jit.get(), matrix };
+      });
+  testSingularMatrix<Group3SparseVectorMatrix, micm::JitLuDecomposition<3>>(
+      [&](const Group3SparseVectorMatrix<double>& matrix) -> micm::JitLuDecomposition<3> {
+        return micm::JitLuDecomposition<3>{ jit.get(), matrix };
+      });
+  testSingularMatrix<Group4SparseVectorMatrix, micm::JitLuDecomposition<4>>(
+      [&](const Group4SparseVectorMatrix<double>& matrix) -> micm::JitLuDecomposition<4> {
+        return micm::JitLuDecomposition<4>{ jit.get(), matrix };
+      });
+}
+
 TEST(JitLuDecomposition, RandomMatrixVectorOrdering)
 {
   auto jit{ micm::JitCompiler::create() };
diff --git a/test/unit/solver/test_lu_decomposition.cpp b/test/unit/solver/test_lu_decomposition.cpp
index 1c0807538..6588083f2 100644
--- a/test/unit/solver/test_lu_decomposition.cpp
+++ b/test/unit/solver/test_lu_decomposition.cpp
@@ -24,6 +24,12 @@ TEST(LuDecomposition, DenseMatrixStandardOrdering)
       [](const SparseMatrixTest<double>& matrix) -> micm::LuDecomposition { return micm::LuDecomposition{ matrix }; });
 }
 
+TEST(LuDecomposition, SingularMatrixStandardOrdering)
+{
+    testSingularMatrix<SparseMatrixTest, micm::LuDecomposition>(
+        [](const SparseMatrixTest<double>& matrix) -> micm::LuDecomposition { return micm::LuDecomposition{ matrix }; });
+}
+
 TEST(LuDecomposition, RandomMatrixStandardOrdering)
 {
   testRandomMatrix<SparseMatrixTest, micm::LuDecomposition>(
@@ -52,6 +58,22 @@ TEST(LuDecomposition, DenseMatrixVectorOrdering)
       { return micm::LuDecomposition{ matrix }; });
 }
 
+TEST(LuDecomposition, SingluarMatrixVectorOrdering)
+{
+  testSingularMatrix<Group1SparseVectorMatrix, micm::LuDecomposition>(
+      [](const Group1SparseVectorMatrix<double>& matrix) -> micm::LuDecomposition
+      { return micm::LuDecomposition{ matrix }; });
+  testSingularMatrix<Group2SparseVectorMatrix, micm::LuDecomposition>(
+      [](const Group2SparseVectorMatrix<double>& matrix) -> micm::LuDecomposition
+      { return micm::LuDecomposition{ matrix }; });
+  testSingularMatrix<Group3SparseVectorMatrix, micm::LuDecomposition>(
+      [](const Group3SparseVectorMatrix<double>& matrix) -> micm::LuDecomposition
+      { return micm::LuDecomposition{ matrix }; });
+  testSingularMatrix<Group4SparseVectorMatrix, micm::LuDecomposition>(
+      [](const Group4SparseVectorMatrix<double>& matrix) -> micm::LuDecomposition
+      { return micm::LuDecomposition{ matrix }; });
+}
+
 TEST(LuDecomposition, RandomMatrixVectorOrdering)
 {
   testRandomMatrix<Group1SparseVectorMatrix, micm::LuDecomposition>(
diff --git a/test/unit/solver/test_lu_decomposition_policy.hpp b/test/unit/solver/test_lu_decomposition_policy.hpp
index 42484de33..ec375242a 100644
--- a/test/unit/solver/test_lu_decomposition_policy.hpp
+++ b/test/unit/solver/test_lu_decomposition_policy.hpp
@@ -104,6 +104,31 @@ void testDenseMatrix(const std::function<LuDecompositionPolicy(const SparseMatri
       A, LU.first, LU.second, [&](const double a, const double b) -> void { EXPECT_NEAR(a, b, 1.0e-5); });
 }
 
+template<template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
+void testSingularMatrix(const std::function<LuDecompositionPolicy(const SparseMatrixPolicy<double>&)> create_lu_decomp)
+{
+  SparseMatrixPolicy<double> A = SparseMatrixPolicy<double>(SparseMatrixPolicy<double>::create(2)
+                                                                .initial_value(1.0e-30)
+                                                                .with_element(0, 0)
+                                                                .with_element(0, 1)
+                                                                .with_element(1, 0)
+                                                                .with_element(1, 1));
+
+  A[0][0][0] = 0;
+  A[0][0][1] = 1;
+  A[0][1][0] = 1;
+  A[0][1][1] = 1;
+
+  LuDecompositionPolicy lud = create_lu_decomp(A);
+  auto LU = micm::LuDecomposition::GetLUMatrices(A, 1.0E-30);
+  bool is_singular{ false };
+  lud.template Decompose<double, SparseMatrixPolicy>(A, LU.first, LU.second, is_singular);
+  EXPECT_TRUE(is_singular);
+  A[0][0][0] = 12;
+  lud.template Decompose<double, SparseMatrixPolicy>(A, LU.first, LU.second, is_singular);
+  EXPECT_FALSE(is_singular);
+}
+
 template<template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
 void testRandomMatrix(
     const std::function<LuDecompositionPolicy(const SparseMatrixPolicy<double>&)> create_lu_decomp,

From 10ed2ac14ea6452464002b92c81712a6c128dade Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Fri, 20 Oct 2023 14:40:53 -0700
Subject: [PATCH 155/318] add rosenbrock test with singularity check enabled

---
 .github/workflows/clang_format.yml |  8 ++++----
 test/integration/terminator.cpp    | 12 ++++++++++++
 2 files changed, 16 insertions(+), 4 deletions(-)

diff --git a/.github/workflows/clang_format.yml b/.github/workflows/clang_format.yml
index 86420017e..6c2f804ef 100644
--- a/.github/workflows/clang_format.yml
+++ b/.github/workflows/clang_format.yml
@@ -29,12 +29,12 @@ jobs:
       - name: Check for changes
         id: check-changes
         run: |
-          git diff --exit-code || exit 0
+          git diff --exit-code
         continue-on-error: true
 
       - name: Commit and push changes
         # a failue of this step means changes were detected
-        if: steps.check-changes.outcome == 'failure'
+        if: steps.check-changes.outcome != 'success'
         run: |
           git config --global user.name "GitHub Actions"
           git config --global user.email "actions@github.com"
@@ -42,13 +42,13 @@ jobs:
 
       - name: Push changes to main-formatting branch
         # a failue of this step means changes were detected
-        if: steps.check-changes.outcome == 'failure'
+        if: steps.check-changes.outcome != 'success'
         run: |
           git push origin HEAD:main-formatting
 
       - name: Create Pull Request
         # a failue of this step means changes were detected
-        if: steps.check-changes.outcome == 'failure'
+        if: steps.check-changes.outcome != 'success'
         uses: peter-evans/create-pull-request@v3
         with:
           token: ${{ secrets.GITHUB_TOKEN }}
diff --git a/test/integration/terminator.cpp b/test/integration/terminator.cpp
index b08446b00..b72f7c69e 100644
--- a/test/integration/terminator.cpp
+++ b/test/integration/terminator.cpp
@@ -27,6 +27,18 @@ void RunTerminatorTest(std::size_t number_of_grid_cells)
         return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>{ s, p, solver_params };
       },
       number_of_grid_cells);
+  TestTerminator<MatrixPolicy, micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>>(
+      [&](const micm::System& s, const std::vector<micm::Process>& p)
+          -> micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
+      {
+        auto solver_params = micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells, true);
+        solver_params.absolute_tolerance_ = 1.0e-20;
+        solver_params.relative_tolerance_ = 1.0e-8;
+        solver_params.max_number_of_steps_ = 100000;
+        solver_params.check_singularity_ = true;
+        return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>{ s, p, solver_params };
+      },
+      number_of_grid_cells);
 }
 
 TEST(RosenbrockSolver, Terminator)

From 678f8a6c074e3c4f4c217d58ff922c7f48f8bd61 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Fri, 20 Oct 2023 15:14:47 -0700
Subject: [PATCH 156/318] update jit classes for singularity check

---
 include/micm/solver/jit_linear_solver.hpp    |  6 ++++++
 include/micm/solver/jit_linear_solver.inl    |  7 +++++++
 include/micm/solver/jit_lu_decomposition.hpp |  8 ++++++++
 include/micm/solver/jit_lu_decomposition.inl | 11 +++++++++++
 4 files changed, 32 insertions(+)

diff --git a/include/micm/solver/jit_linear_solver.hpp b/include/micm/solver/jit_linear_solver.hpp
index 1c087422f..11a6d2fe7 100644
--- a/include/micm/solver/jit_linear_solver.hpp
+++ b/include/micm/solver/jit_linear_solver.hpp
@@ -44,6 +44,12 @@ namespace micm
     ~JitLinearSolver();
 
     /// @brief Decompose the matrix into upper and lower triangular matrices and general JIT functions
+    /// @param matrix Matrix that will be factored into lower and upper triangular matrices
+    /// @param is_singular Flag that will be set to true if matrix is singular; false otherwise
+    void Factor(SparseMatrix<double, SparseMatrixVectorOrdering<L>>& matrix, bool& is_singular);
+
+    /// @brief Decompose the matrix into upper and lower triangular matrices and general JIT functions
+    /// @param matrix Matrix that will be factored into lower and upper triangular matrices
     void Factor(SparseMatrix<double, SparseMatrixVectorOrdering<L>>& matrix);
 
     /// @brief Solve for x in Ax = b
diff --git a/include/micm/solver/jit_linear_solver.inl b/include/micm/solver/jit_linear_solver.inl
index 35d1cf98f..195ec27a1 100644
--- a/include/micm/solver/jit_linear_solver.inl
+++ b/include/micm/solver/jit_linear_solver.inl
@@ -56,6 +56,13 @@ namespace micm
     }
   }
 
+  template<std::size_t L, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
+  inline void JitLinearSolver<L, SparseMatrixPolicy, LuDecompositionPolicy>::Factor(
+      SparseMatrix<double, SparseMatrixVectorOrdering<L>> &matrix, bool& is_singular)
+  {
+    LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>::Factor(matrix, is_singular);
+  }
+
   template<std::size_t L, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
   inline void JitLinearSolver<L, SparseMatrixPolicy, LuDecompositionPolicy>::Factor(
       SparseMatrix<double, SparseMatrixVectorOrdering<L>> &matrix)
diff --git a/include/micm/solver/jit_lu_decomposition.hpp b/include/micm/solver/jit_lu_decomposition.hpp
index f9a2aca5e..6878a4b0c 100644
--- a/include/micm/solver/jit_lu_decomposition.hpp
+++ b/include/micm/solver/jit_lu_decomposition.hpp
@@ -39,6 +39,14 @@ namespace micm
 
     ~JitLuDecomposition();
 
+    /// @brief Create sparse L and U matrices for a given A matrix
+    /// @param A Sparse matrix that will be decomposed
+    /// @param lower The lower triangular matrix created by decomposition
+    /// @param upper The upper triangular matrix created by decomposition
+    /// @param is_singular Flag that will be set to true if A is singular; false otherwise
+    template<typename T, template<class> class SparseMatrixPolicy>
+    void Decompose(const SparseMatrixPolicy<T> &A, SparseMatrixPolicy<T> &lower, SparseMatrixPolicy<T> &upper, bool& is_singular) const;
+
     /// @brief Create sparse L and U matrices for a given A matrix
     /// @param A Sparse matrix that will be decomposed
     /// @param lower The lower triangular matrix created by decomposition
diff --git a/include/micm/solver/jit_lu_decomposition.inl b/include/micm/solver/jit_lu_decomposition.inl
index a9c0b038e..a1a3cbb28 100644
--- a/include/micm/solver/jit_lu_decomposition.inl
+++ b/include/micm/solver/jit_lu_decomposition.inl
@@ -183,6 +183,17 @@ namespace micm
     decompose_function_resource_tracker_ = target.first;
   }
 
+  template<std::size_t L>
+  template<typename T, template<class> class SparseMatrixPolicy>
+  void JitLuDecomposition<L>::Decompose(
+      const SparseMatrixPolicy<T> &A,
+      SparseMatrixPolicy<T> &lower,
+      SparseMatrixPolicy<T> &upper,
+      bool& is_singular) const
+  {
+    LuDecomposition::Decompose<T, SparseMatrixPolicy>(A, lower, upper, is_singular);
+  }
+
   template<std::size_t L>
   template<typename T, template<class> class SparseMatrixPolicy>
   void JitLuDecomposition<L>::Decompose(

From bde04bc6704fe1e6f483f51947555d588bba139c Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Mon, 23 Oct 2023 13:20:16 -0700
Subject: [PATCH 157/318] Auto-format code changes (#323)

Auto-format code using Clang-Format

Co-authored-by: GitHub Actions <actions@github.com>
---
 include/micm/process/cuda_process_set.hpp     |  80 ++--
 include/micm/process/process.hpp              |  27 +-
 include/micm/process/process_set.hpp          |  37 +-
 include/micm/solver/cuda_lu_decomposition.hpp | 114 +++---
 include/micm/solver/jit_lu_decomposition.hpp  |   6 +-
 include/micm/solver/linear_solver.hpp         |  12 +-
 include/micm/solver/lu_decomposition.hpp      |  11 +-
 include/micm/solver/rosenbrock.hpp            |   4 +-
 include/micm/solver/state.hpp                 |   3 +-
 include/micm/system/phase.hpp                 |   2 +-
 include/micm/system/species.hpp               |   2 +-
 include/micm/util/cuda_param.hpp              | 120 +++---
 src/solver/lu_decomposition.cu                | 364 +++++++++---------
 test/integration/cmake/test_micm.cpp          |  12 +-
 test/integration/e5.hpp                       |   5 +-
 test/integration/hires.hpp                    |   5 +-
 test/integration/oregonator.hpp               |   5 +-
 test/kpp/test_kpp_to_micm.cpp                 |  47 ++-
 test/tutorial/test_README_example.cpp         |  14 +-
 test/tutorial/test_but_how_fast_is_it.cpp     |   7 +-
 test/tutorial/test_multiple_grid_cells.cpp    |   8 +-
 test/tutorial/test_openmp.cpp                 |  11 +-
 ...st_rate_constants_user_defined_by_hand.cpp |   4 +-
 ...ate_constants_user_defined_with_config.cpp |   4 +-
 test/tutorial/test_solver_configuration.cpp   |  40 +-
 test/unit/openmp/test_openmp.cpp              |   9 +-
 test/unit/process/test_cuda_process_set.cpp   |   3 +-
 test/unit/process/test_process.cpp            |  17 +-
 .../solver/test_cuda_lu_decomposition.cpp     |  49 +--
 test/unit/solver/test_lu_decomposition.cpp    |   4 +-
 test/unit/solver/test_rosenbrock.cpp          |  12 +-
 31 files changed, 520 insertions(+), 518 deletions(-)

diff --git a/include/micm/process/cuda_process_set.hpp b/include/micm/process/cuda_process_set.hpp
index f7ced87ab..e3f352fcc 100644
--- a/include/micm/process/cuda_process_set.hpp
+++ b/include/micm/process/cuda_process_set.hpp
@@ -5,7 +5,6 @@
 
 #include <micm/process/process_set.hpp>
 #include <micm/util/cuda_param.hpp>
-#include <micm/util/cuda_param.hpp>
 
 #ifdef USE_CUDA
 #  include <micm/process/cuda_process_set.cuh>
@@ -54,26 +53,24 @@ namespace micm
       MatrixPolicy<double>& forcing) const
   {
     CudaMatrixParam matrix;
-    matrix.rate_constants_ = rate_constants.AsVector().data(); 
-    matrix.state_variables_ = state_variables.AsVector().data(); 
-    matrix.forcing_ = forcing.AsVector().data(); 
-    matrix.n_grids_ = rate_constants.size(); 
-    matrix.n_reactions_ = rate_constants[0].size(); 
+    matrix.rate_constants_ = rate_constants.AsVector().data();
+    matrix.state_variables_ = state_variables.AsVector().data();
+    matrix.forcing_ = forcing.AsVector().data();
+    matrix.n_grids_ = rate_constants.size();
+    matrix.n_reactions_ = rate_constants[0].size();
     matrix.n_species_ = state_variables[0].size();
 
-    CudaProcessSetParam processSet; 
-    processSet.number_of_reactants_ = number_of_reactants_.data(); 
-    processSet.reactant_ids_ = reactant_ids_.data(); 
-    processSet.reactant_ids_size_ = reactant_ids_.size(); 
-    processSet.number_of_products_ = number_of_products_.data(); 
-    processSet.product_ids_ = product_ids_.data(); 
-    processSet.product_ids_size_ = product_ids_.size(); 
-    processSet.yields_ = yields_.data(); 
-    processSet.yields_size_ = yields_.size(); 
+    CudaProcessSetParam processSet;
+    processSet.number_of_reactants_ = number_of_reactants_.data();
+    processSet.reactant_ids_ = reactant_ids_.data();
+    processSet.reactant_ids_size_ = reactant_ids_.size();
+    processSet.number_of_products_ = number_of_products_.data();
+    processSet.product_ids_ = product_ids_.data();
+    processSet.product_ids_size_ = product_ids_.size();
+    processSet.yields_ = yields_.data();
+    processSet.yields_size_ = yields_.size();
 
-    std::chrono::nanoseconds kernel_duration = micm::cuda::AddForcingTermsKernelDriver(
-        matrix,
-        processSet);
+    std::chrono::nanoseconds kernel_duration = micm::cuda::AddForcingTermsKernelDriver(matrix, processSet);
     return kernel_duration;  // time performance of kernel function
   }
   template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
@@ -83,31 +80,28 @@ namespace micm
       const MatrixPolicy<double>& state_variables,
       SparseMatrixPolicy<double>& jacobian) const
   {
-    CudaMatrixParam matrix; 
-    matrix.rate_constants_ = rate_constants.AsVector().data(); 
-    matrix.state_variables_ = state_variables.AsVector().data(); 
-    matrix.n_grids_ = rate_constants.size(); 
-    matrix.n_reactions_ = rate_constants[0].size(); 
-    matrix.n_species_ = state_variables[0].size(); 
-    
-    CudaSparseMatrixParam sparseMatrix; 
-    sparseMatrix.jacobian_ = jacobian.AsVector().data(); 
-    sparseMatrix.jacobian_size_ = jacobian.AsVector().size(); 
-    
-    CudaProcessSetParam processSet; 
-    processSet.number_of_reactants_ = number_of_reactants_.data(); 
-    processSet.reactant_ids_ = reactant_ids_.data(); 
-    processSet.reactant_ids_size_ = reactant_ids_.size(); 
-    processSet.number_of_products_ = number_of_products_.data(); 
-    processSet.yields_ = yields_.data(); 
-    processSet.yields_size_ = yields_.size(); 
-    processSet.jacobian_flat_ids_ = jacobian_flat_ids_.data(); 
-    processSet.jacobian_flat_ids_size_ = jacobian_flat_ids_.size(); 
-    
-    std::chrono::nanoseconds kernel_duration = micm::cuda::AddJacobianTermsKernelDriver(
-        matrix, 
-        sparseMatrix, 
-        processSet);
+    CudaMatrixParam matrix;
+    matrix.rate_constants_ = rate_constants.AsVector().data();
+    matrix.state_variables_ = state_variables.AsVector().data();
+    matrix.n_grids_ = rate_constants.size();
+    matrix.n_reactions_ = rate_constants[0].size();
+    matrix.n_species_ = state_variables[0].size();
+
+    CudaSparseMatrixParam sparseMatrix;
+    sparseMatrix.jacobian_ = jacobian.AsVector().data();
+    sparseMatrix.jacobian_size_ = jacobian.AsVector().size();
+
+    CudaProcessSetParam processSet;
+    processSet.number_of_reactants_ = number_of_reactants_.data();
+    processSet.reactant_ids_ = reactant_ids_.data();
+    processSet.reactant_ids_size_ = reactant_ids_.size();
+    processSet.number_of_products_ = number_of_products_.data();
+    processSet.yields_ = yields_.data();
+    processSet.yields_size_ = yields_.size();
+    processSet.jacobian_flat_ids_ = jacobian_flat_ids_.data();
+    processSet.jacobian_flat_ids_size_ = jacobian_flat_ids_.size();
+
+    std::chrono::nanoseconds kernel_duration = micm::cuda::AddJacobianTermsKernelDriver(matrix, sparseMatrix, processSet);
     return kernel_duration;  // time performance of kernel function
   }
 }  // namespace micm
diff --git a/include/micm/process/process.hpp b/include/micm/process/process.hpp
index a93a70c8c..f19386c9b 100644
--- a/include/micm/process/process.hpp
+++ b/include/micm/process/process.hpp
@@ -5,7 +5,6 @@
 #pragma once
 
 #include <memory>
-#include <micm/process/rate_constant.hpp>
 #include <micm/process/arrhenius_rate_constant.hpp>
 #include <micm/process/branched_rate_constant.hpp>
 #include <micm/process/rate_constant.hpp>
@@ -44,11 +43,13 @@ namespace micm
     /// @param processes The set of processes being solved
     /// @param state The solver state to update
     template<template<class> class MatrixPolicy>
-      requires(!VectorizableDense<MatrixPolicy<double>>)
-    static void UpdateState(const std::vector<Process>& processes, State<MatrixPolicy>& state);
+    requires(!VectorizableDense<MatrixPolicy<double>>) static void UpdateState(
+        const std::vector<Process>& processes,
+        State<MatrixPolicy>& state);
     template<template<class> class MatrixPolicy>
-      requires(VectorizableDense<MatrixPolicy<double>>)
-    static void UpdateState(const std::vector<Process>& processes, State<MatrixPolicy>& state);
+    requires(VectorizableDense<MatrixPolicy<double>>) static void UpdateState(
+        const std::vector<Process>& processes,
+        State<MatrixPolicy>& state);
 
     friend class ProcessBuilder;
     static ProcessBuilder create();
@@ -65,8 +66,10 @@ namespace micm
           rate_constant_(std::move(rate_constant)),
           phase_(phase)
     {
-      if (dynamic_cast<SurfaceRateConstant*>(rate_constant_.get())) {
-        if (reactants_.size() > 1) {
+      if (dynamic_cast<SurfaceRateConstant*>(rate_constant_.get()))
+      {
+        if (reactants_.size() > 1)
+        {
           throw std::runtime_error("A surface rate constant can only have one reactant");
         }
       }
@@ -103,8 +106,9 @@ namespace micm
   };
 
   template<template<class> class MatrixPolicy>
-    requires(!VectorizableDense<MatrixPolicy<double>>)
-  void Process::UpdateState(const std::vector<Process>& processes, State<MatrixPolicy>& state)
+  requires(!VectorizableDense<MatrixPolicy<double>>) void Process::UpdateState(
+      const std::vector<Process>& processes,
+      State<MatrixPolicy>& state)
   {
     for (std::size_t i{}; i < state.custom_rate_parameters_.size(); ++i)
     {
@@ -125,8 +129,9 @@ namespace micm
   }
 
   template<template<class> class MatrixPolicy>
-    requires(VectorizableDense<MatrixPolicy<double>>)
-  void Process::UpdateState(const std::vector<Process>& processes, State<MatrixPolicy>& state)
+  requires(VectorizableDense<MatrixPolicy<double>>) void Process::UpdateState(
+      const std::vector<Process>& processes,
+      State<MatrixPolicy>& state)
   {
     const auto& v_custom_parameters = state.custom_rate_parameters_.AsVector();
     auto& v_rate_constants = state.rate_constants_.AsVector();
diff --git a/include/micm/process/process_set.hpp b/include/micm/process/process_set.hpp
index 39d1e5126..5942157cb 100644
--- a/include/micm/process/process_set.hpp
+++ b/include/micm/process/process_set.hpp
@@ -47,13 +47,12 @@ namespace micm
     /// @param state_variables Current state variable values (grid cell, state variable)
     /// @param forcing Forcing terms for each state variable (grid cell, state variable)
     template<template<class> typename MatrixPolicy>
-      requires(!VectorizableDense<MatrixPolicy<double>>)
-    void AddForcingTerms(
+    requires(!VectorizableDense<MatrixPolicy<double>>) void AddForcingTerms(
         const MatrixPolicy<double>& rate_constants,
         const MatrixPolicy<double>& state_variables,
         MatrixPolicy<double>& forcing) const;
     template<template<class> typename MatrixPolicy>
-      requires VectorizableDense<MatrixPolicy<double>>
+    requires VectorizableDense<MatrixPolicy<double>>
     void AddForcingTerms(
         const MatrixPolicy<double>& rate_constants,
         const MatrixPolicy<double>& state_variables,
@@ -64,14 +63,12 @@ namespace micm
     /// @param state_variables Current state variable values (grid cell, state variable)
     /// @param jacobian Jacobian matrix for the system (grid cell, dependent variable, independent variable)
     template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-      requires(!VectorizableDense<MatrixPolicy<double>> || !VectorizableSparse<SparseMatrixPolicy<double>>)
-    void AddJacobianTerms(
+    requires(!VectorizableDense<MatrixPolicy<double>> || !VectorizableSparse<SparseMatrixPolicy<double>>) void AddJacobianTerms(
         const MatrixPolicy<double>& rate_constants,
         const MatrixPolicy<double>& state_variables,
         SparseMatrixPolicy<double>& jacobian) const;
     template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-      requires(VectorizableDense<MatrixPolicy<double>> && VectorizableSparse<SparseMatrixPolicy<double>>)
-    void AddJacobianTerms(
+    requires(VectorizableDense<MatrixPolicy<double>>&& VectorizableSparse<SparseMatrixPolicy<double>>) void AddJacobianTerms(
         const MatrixPolicy<double>& rate_constants,
         const MatrixPolicy<double>& state_variables,
         SparseMatrixPolicy<double>& jacobian) const;
@@ -158,8 +155,7 @@ namespace micm
   }
 
   template<template<class> typename MatrixPolicy>
-    requires(!VectorizableDense<MatrixPolicy<double>>)
-  inline void ProcessSet::AddForcingTerms(
+  requires(!VectorizableDense<MatrixPolicy<double>>) inline void ProcessSet::AddForcingTerms(
       const MatrixPolicy<double>& rate_constants,
       const MatrixPolicy<double>& state_variables,
       MatrixPolicy<double>& forcing) const
@@ -195,7 +191,7 @@ namespace micm
   };
 
   template<template<class> typename MatrixPolicy>
-    requires VectorizableDense<MatrixPolicy<double>>
+  requires VectorizableDense<MatrixPolicy<double>>
   inline void ProcessSet::AddForcingTerms(
       const MatrixPolicy<double>& rate_constants,
       const MatrixPolicy<double>& state_variables,
@@ -236,11 +232,12 @@ namespace micm
   }
 
   template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-    requires(!VectorizableDense<MatrixPolicy<double>> || !VectorizableSparse<SparseMatrixPolicy<double>>)
-  inline void ProcessSet::AddJacobianTerms(
-      const MatrixPolicy<double>& rate_constants,
-      const MatrixPolicy<double>& state_variables,
-      SparseMatrixPolicy<double>& jacobian) const
+  requires(
+      !VectorizableDense<MatrixPolicy<double>> || !VectorizableSparse<SparseMatrixPolicy<double>>) inline void ProcessSet::
+      AddJacobianTerms(
+          const MatrixPolicy<double>& rate_constants,
+          const MatrixPolicy<double>& state_variables,
+          SparseMatrixPolicy<double>& jacobian) const
   {
     auto cell_jacobian = jacobian.AsVector().begin();
 
@@ -282,11 +279,11 @@ namespace micm
   }
 
   template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-    requires(VectorizableDense<MatrixPolicy<double>> && VectorizableSparse<SparseMatrixPolicy<double>>)
-  inline void ProcessSet::AddJacobianTerms(
-      const MatrixPolicy<double>& rate_constants,
-      const MatrixPolicy<double>& state_variables,
-      SparseMatrixPolicy<double>& jacobian) const
+  requires(VectorizableDense<MatrixPolicy<double>>&& VectorizableSparse<SparseMatrixPolicy<double>>) inline void ProcessSet::
+      AddJacobianTerms(
+          const MatrixPolicy<double>& rate_constants,
+          const MatrixPolicy<double>& state_variables,
+          SparseMatrixPolicy<double>& jacobian) const
   {
     const auto& v_rate_constants = rate_constants.AsVector();
     const auto& v_state_variables = state_variables.AsVector();
diff --git a/include/micm/solver/cuda_lu_decomposition.hpp b/include/micm/solver/cuda_lu_decomposition.hpp
index f5aa469cd..7f2d33e17 100644
--- a/include/micm/solver/cuda_lu_decomposition.hpp
+++ b/include/micm/solver/cuda_lu_decomposition.hpp
@@ -2,69 +2,67 @@
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
-#include<micm/solver/lu_decomposition.hpp>
-#include<micm/util/cuda_param.hpp>
-#include <stdexcept>
 #include <chrono>
+#include <micm/solver/lu_decomposition.hpp>
+#include <micm/util/cuda_param.hpp>
+#include <stdexcept>
 #ifdef USE_CUDA
-#include <micm/solver/cuda_lu_decomposition.cuh>
-#endif 
+#  include <micm/solver/cuda_lu_decomposition.cuh>
+#endif
 
 #ifdef USE_CUDA
-namespace micm{
-    class CudaLuDecomposition: public LuDecomposition{
-    public: 
-    CudaLuDecomposition(){}; 
-    
+namespace micm
+{
+  class CudaLuDecomposition : public LuDecomposition
+  {
+   public:
+    CudaLuDecomposition(){};
+
     template<typename T, template<class> typename SparseMatrixPolicy>
-    requires VectorizableSparse<SparseMatrixPolicy<T>>
-    std::chrono::nanoseconds Decompose(
-        const SparseMatrixPolicy<T>&A, 
-        SparseMatrixPolicy<T>& L, 
-        SparseMatrixPolicy<T>& U) const; 
-    }; 
+    requires VectorizableSparse<SparseMatrixPolicy<T>> std::chrono::nanoseconds
+    Decompose(const SparseMatrixPolicy<T>& A, SparseMatrixPolicy<T>& L, SparseMatrixPolicy<T>& U)
+    const;
+  };
+
+  template<typename T, template<class> class SparseMatrixPolicy>
+  requires(VectorizableSparse<SparseMatrixPolicy<T>>) std::chrono::nanoseconds
+      CudaLuDecomposition::Decompose(const SparseMatrixPolicy<T>& A, SparseMatrixPolicy<T>& L, SparseMatrixPolicy<T>& U)
+  const
+  {
+    CudaSparseMatrixParam sparseMatrix;
+    sparseMatrix.A_ = A.AsVector().data();
+    sparseMatrix.A_size_ = A.AsVector().size();
+    sparseMatrix.L_ = L.AsVector().data();
+    sparseMatrix.L_size_ = L.AsVector().size();
+    sparseMatrix.U_ = U.AsVector().data();
+    sparseMatrix.U_size_ = U.AsVector().size();
+    sparseMatrix.n_grids_ = A.size();
+
+    CudaSolverParam solver;
+    solver.do_aik_ = do_aik_.data();
+    solver.do_aik_size_ = do_aik_.size();
+    solver.aik_ = aik_.data();
+    solver.aik_size_ = aik_.size();
+    solver.do_aki_ = do_aki_.data();
+    solver.do_aki_size_ = do_aki_.size();
+    solver.aki_ = aki_.data();
+    solver.aki_size_ = aki_.size();
+    solver.uii_ = uii_.data();
+    solver.uii_size_ = uii_.size();
 
-    template<typename T, template<class> class SparseMatrixPolicy>
-    requires(VectorizableSparse<SparseMatrixPolicy<T>>) 
-    std::chrono::nanoseconds CudaLuDecomposition::Decompose(
-        const SparseMatrixPolicy<T>& A, 
-        SparseMatrixPolicy<T>& L, 
-        SparseMatrixPolicy<T>& U) const
-    {
-        CudaSparseMatrixParam sparseMatrix; 
-        sparseMatrix.A_ = A.AsVector().data(); 
-        sparseMatrix.A_size_ = A.AsVector().size(); 
-        sparseMatrix.L_ = L.AsVector().data(); 
-        sparseMatrix.L_size_ = L.AsVector().size(); 
-        sparseMatrix.U_ = U.AsVector().data(); 
-        sparseMatrix.U_size_ = U.AsVector().size(); 
-        sparseMatrix.n_grids_ = A.size(); 
-        
-        CudaSolverParam solver;    
-        solver.do_aik_ = do_aik_.data(); 
-        solver.do_aik_size_ = do_aik_.size(); 
-        solver.aik_ = aik_.data(); 
-        solver.aik_size_ = aik_.size(); 
-        solver.do_aki_ = do_aki_.data(); 
-        solver.do_aki_size_ = do_aki_.size(); 
-        solver.aki_ = aki_.data(); 
-        solver.aki_size_ = aki_.size(); 
-        solver.uii_ = uii_.data(); 
-        solver.uii_size_ = uii_.size(); 
-        
-        solver.niLU_ = niLU_.data(); 
-        solver.niLU_size_ = niLU_.size(); 
-        solver.uik_nkj_ = uik_nkj_.data(); 
-        solver.uik_nkj_size_ = uik_nkj_.size(); 
-        solver.lij_ujk_ = lij_ujk_.data(); 
-        solver.lij_ujk_size_ = lij_ujk_.size(); 
-        solver.lki_nkj_ = lki_nkj_.data(); 
-        solver.lki_nkj_size_ = lki_nkj_.size(); 
-        solver.lkj_uji_ =  lkj_uji_.data(); 
-        solver.lkj_uji_size_ = lkj_uji_.size(); 
+    solver.niLU_ = niLU_.data();
+    solver.niLU_size_ = niLU_.size();
+    solver.uik_nkj_ = uik_nkj_.data();
+    solver.uik_nkj_size_ = uik_nkj_.size();
+    solver.lij_ujk_ = lij_ujk_.data();
+    solver.lij_ujk_size_ = lij_ujk_.size();
+    solver.lki_nkj_ = lki_nkj_.data();
+    solver.lki_nkj_size_ = lki_nkj_.size();
+    solver.lkj_uji_ = lkj_uji_.data();
+    solver.lkj_uji_size_ = lkj_uji_.size();
 
-        //calling kernelSetup function
-        return micm::cuda::DecomposeKernelDriver(sparseMatrix, solver); 
-    }
-}//end micm
+    // calling kernelSetup function
+    return micm::cuda::DecomposeKernelDriver(sparseMatrix, solver);
+  }
+}  // namespace micm
 #endif
\ No newline at end of file
diff --git a/include/micm/solver/jit_lu_decomposition.hpp b/include/micm/solver/jit_lu_decomposition.hpp
index 6878a4b0c..5d44d26f4 100644
--- a/include/micm/solver/jit_lu_decomposition.hpp
+++ b/include/micm/solver/jit_lu_decomposition.hpp
@@ -45,7 +45,11 @@ namespace micm
     /// @param upper The upper triangular matrix created by decomposition
     /// @param is_singular Flag that will be set to true if A is singular; false otherwise
     template<typename T, template<class> class SparseMatrixPolicy>
-    void Decompose(const SparseMatrixPolicy<T> &A, SparseMatrixPolicy<T> &lower, SparseMatrixPolicy<T> &upper, bool& is_singular) const;
+    void Decompose(
+        const SparseMatrixPolicy<T> &A,
+        SparseMatrixPolicy<T> &lower,
+        SparseMatrixPolicy<T> &upper,
+        bool &is_singular) const;
 
     /// @brief Create sparse L and U matrices for a given A matrix
     /// @param A Sparse matrix that will be decomposed
diff --git a/include/micm/solver/linear_solver.hpp b/include/micm/solver/linear_solver.hpp
index cd86f107b..c292f098e 100644
--- a/include/micm/solver/linear_solver.hpp
+++ b/include/micm/solver/linear_solver.hpp
@@ -74,7 +74,7 @@ namespace micm
     /// @param matrix Matrix to decompose into lower and upper triangular matrices
     /// @param is_singular Flag that is set to true if matrix is singular; false otherwise
     void Factor(const SparseMatrixPolicy<T>& matrix);
-    
+
     /// @brief Decompose the matrix into upper and lower triangular matrices
     /// @param matrix Matrix to decompose into lower and upper triangular matrices
     /// @param is_singular Flag that is set to true if matrix is singular; false otherwise
@@ -82,11 +82,13 @@ namespace micm
 
     /// @brief Solve for x in Ax = b
     template<template<class> class MatrixPolicy>
-      requires(!VectorizableDense<MatrixPolicy<T>> || !VectorizableSparse<SparseMatrixPolicy<T>>)
-    void Solve(const MatrixPolicy<T>& b, MatrixPolicy<T>& x);
+    requires(!VectorizableDense<MatrixPolicy<T>> || !VectorizableSparse<SparseMatrixPolicy<T>>) void Solve(
+        const MatrixPolicy<T>& b,
+        MatrixPolicy<T>& x);
     template<template<class> class MatrixPolicy>
-      requires(VectorizableDense<MatrixPolicy<T>> && VectorizableSparse<SparseMatrixPolicy<T>>)
-    void Solve(const MatrixPolicy<T>& b, MatrixPolicy<T>& x);
+    requires(VectorizableDense<MatrixPolicy<T>>&& VectorizableSparse<SparseMatrixPolicy<T>>) void Solve(
+        const MatrixPolicy<T>& b,
+        MatrixPolicy<T>& x);
   };
 
 }  // namespace micm
diff --git a/include/micm/solver/lu_decomposition.hpp b/include/micm/solver/lu_decomposition.hpp
index fb2b8f693..79681e2e4 100644
--- a/include/micm/solver/lu_decomposition.hpp
+++ b/include/micm/solver/lu_decomposition.hpp
@@ -39,7 +39,7 @@ namespace micm
     std::vector<std::pair<std::size_t, std::size_t>> niLU_;
     /// True when A[i][k] is non-zero for each iteration of the middle (k) loop for the upper
     /// triangular matrix; False otherwise. Used data type char instead of bool because vector<bool> representation
-    ///does not suppor easy retrieval of memory address using data() function.
+    /// does not suppor easy retrieval of memory address using data() function.
     std::vector<char> do_aik_;
     /// Index in A.data_ for A[i][k] for each iteration of the middle (k) loop for the upper
     /// triangular matrix when A[i][k] is non-zero
@@ -53,10 +53,10 @@ namespace micm
     std::vector<std::pair<std::size_t, std::size_t>> lij_ujk_;
     /// True when A[k][i] is non-zero for each iteration of the middle (k) loop for the lower
     /// triangular matrix; False otherwise. Used data type char instead of bool because vector<bool> representation
-    ///does not suppor easy retrieval of memory address using data() function.
+    /// does not suppor easy retrieval of memory address using data() function.
     std::vector<char> do_aki_;
     /// Index in A.data_ for A[k][i] for each iteration of the middle (k) loop for the lower
-    /// triangular matrix when A[k][i] is non-zero. 
+    /// triangular matrix when A[k][i] is non-zero.
     std::vector<std::size_t> aki_;
     /// Index in L.data_ for L[k][i] for each iteration of the middle (k) loop for the lower
     /// triangular matrix when L[k][i] is non-zero, and the corresponding number of elements
@@ -91,10 +91,7 @@ namespace micm
     /// @param L The lower triangular matrix created by decomposition
     /// @param U The upper triangular matrix created by decomposition
     template<typename T, template<class> class SparseMatrixPolicy>
-    void Decompose(
-        const SparseMatrixPolicy<T>& A,
-        SparseMatrixPolicy<T>& L,
-        SparseMatrixPolicy<T>& U) const;
+    void Decompose(const SparseMatrixPolicy<T>& A, SparseMatrixPolicy<T>& L, SparseMatrixPolicy<T>& U) const;
 
     /// @brief Perform an LU decomposition on a given A matrix
     /// @param A Sparse matrix to decompose
diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index 4ad24239b..9dda76770 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -266,9 +266,9 @@ namespace micm
     /// @param jacobian Jacobian matrix (dforce_dy)
     /// @param alpha
     void AlphaMinusJacobian(SparseMatrixPolicy<double>& jacobian, const double& alpha) const
-      requires(!VectorizableSparse<SparseMatrixPolicy<double>>);
+        requires(!VectorizableSparse<SparseMatrixPolicy<double>>);
     void AlphaMinusJacobian(SparseMatrixPolicy<double>& jacobian, const double& alpha) const
-      requires(VectorizableSparse<SparseMatrixPolicy<double>>);
+        requires(VectorizableSparse<SparseMatrixPolicy<double>>);
 
     /// @brief Update the rate constants for the environment state
     /// @param state The current state of the chemical system
diff --git a/include/micm/solver/state.hpp b/include/micm/solver/state.hpp
index da59c2fa0..ac2674bcb 100644
--- a/include/micm/solver/state.hpp
+++ b/include/micm/solver/state.hpp
@@ -48,8 +48,7 @@ namespace micm
 
     /// @brief Set species' concentrations
     /// @param species_to_concentration
-    void SetConcentrations(
-        const std::unordered_map<std::string, std::vector<double>>& species_to_concentration);
+    void SetConcentrations(const std::unordered_map<std::string, std::vector<double>>& species_to_concentration);
 
     /// @brief Set a single species concentration
     /// @param species the species to set the concentration for
diff --git a/include/micm/system/phase.hpp b/include/micm/system/phase.hpp
index c922acaf2..f81add256 100644
--- a/include/micm/system/phase.hpp
+++ b/include/micm/system/phase.hpp
@@ -4,8 +4,8 @@
  */
 #pragma once
 
-#include <micm/system/species.hpp>
 #include <algorithm>
+#include <micm/system/species.hpp>
 #include <vector>
 
 namespace micm
diff --git a/include/micm/system/species.hpp b/include/micm/system/species.hpp
index a0b68bbab..6dd194383 100644
--- a/include/micm/system/species.hpp
+++ b/include/micm/system/species.hpp
@@ -4,9 +4,9 @@
 #pragma once
 
 #include <functional>
+#include <map>
 #include <string>
 #include <vector>
-#include <map>
 
 #include "conditions.hpp"
 
diff --git a/include/micm/util/cuda_param.hpp b/include/micm/util/cuda_param.hpp
index 8db6aa01d..2d95a1ec3 100644
--- a/include/micm/util/cuda_param.hpp
+++ b/include/micm/util/cuda_param.hpp
@@ -1,63 +1,67 @@
-#include<vector>
+#include <vector>
 
 #ifndef CUDA_PARAM_HPP
-#define CUDA_PARAM_HPP
-  //member data of class CudaProcessSet grouped in struct passing to kernel driver function 
-  const size_t BLOCK_SIZE = 320;
-  struct CudaProcessSetParam{
-    const size_t* number_of_reactants_; 
-    const size_t* reactant_ids_; 
-    size_t reactant_ids_size_; 
-    const size_t* number_of_products_; 
-    const size_t* product_ids_; 
-    size_t product_ids_size_; 
-    const double* yields_; 
-    size_t yields_size_; 
-    const size_t* jacobian_flat_ids_; 
-    size_t jacobian_flat_ids_size_; 
-}; 
+#  define CUDA_PARAM_HPP
+// member data of class CudaProcessSet grouped in struct passing to kernel driver function
+const size_t BLOCK_SIZE = 320;
+struct CudaProcessSetParam
+{
+  const size_t* number_of_reactants_;
+  const size_t* reactant_ids_;
+  size_t reactant_ids_size_;
+  const size_t* number_of_products_;
+  const size_t* product_ids_;
+  size_t product_ids_size_;
+  const double* yields_;
+  size_t yields_size_;
+  const size_t* jacobian_flat_ids_;
+  size_t jacobian_flat_ids_size_;
+};
 
-  struct CudaSolverParam{
-    const std::pair<size_t, size_t>* niLU_; 
-    size_t niLU_size_;
-    const char* do_aik_;
-    size_t do_aik_size_; 
-    const size_t* aik_;
-    size_t aik_size_;  
-    const std::pair<size_t, size_t>* uik_nkj_; 
-    size_t uik_nkj_size_; 
-    const std::pair<size_t, size_t>* lij_ujk_; 
-    size_t lij_ujk_size_; 
-    const char* do_aki_;
-    size_t do_aki_size_; 
-    const size_t* aki_; 
-    size_t aki_size_;
-    const std::pair<size_t, size_t>* lki_nkj_;
-    size_t lki_nkj_size_; 
-    const std::pair<size_t, size_t>* lkj_uji_;  
-    size_t lkj_uji_size_;  
-    const size_t* uii_; 
-    size_t uii_size_; 
-  };
- //different matrix data grouped in struct passing to kernel driver function 
-    struct CudaMatrixParam{
-     const double* rate_constants_; 
-     const double* state_variables_; 
-     double* forcing_; 
-     size_t n_grids_; 
-     size_t n_reactions_; 
-     size_t n_species_; 
-}; 
-//sparseMatrix data grouped in struct passing to kernel driver function 
-struct CudaSparseMatrixParam{
-   double* jacobian_; 
-   size_t jacobian_size_; 
-   const double* A_; 
-   size_t A_size_; 
-   double* L_; 
-   size_t L_size_; 
-   double* U_;
-   size_t U_size_; 
-   size_t n_grids_;
+struct CudaSolverParam
+{
+  const std::pair<size_t, size_t>* niLU_;
+  size_t niLU_size_;
+  const char* do_aik_;
+  size_t do_aik_size_;
+  const size_t* aik_;
+  size_t aik_size_;
+  const std::pair<size_t, size_t>* uik_nkj_;
+  size_t uik_nkj_size_;
+  const std::pair<size_t, size_t>* lij_ujk_;
+  size_t lij_ujk_size_;
+  const char* do_aki_;
+  size_t do_aki_size_;
+  const size_t* aki_;
+  size_t aki_size_;
+  const std::pair<size_t, size_t>* lki_nkj_;
+  size_t lki_nkj_size_;
+  const std::pair<size_t, size_t>* lkj_uji_;
+  size_t lkj_uji_size_;
+  const size_t* uii_;
+  size_t uii_size_;
+};
+// different matrix data grouped in struct passing to kernel driver function
+struct CudaMatrixParam
+{
+  const double* rate_constants_;
+  const double* state_variables_;
+  double* forcing_;
+  size_t n_grids_;
+  size_t n_reactions_;
+  size_t n_species_;
+};
+// sparseMatrix data grouped in struct passing to kernel driver function
+struct CudaSparseMatrixParam
+{
+  double* jacobian_;
+  size_t jacobian_size_;
+  const double* A_;
+  size_t A_size_;
+  double* L_;
+  size_t L_size_;
+  double* U_;
+  size_t U_size_;
+  size_t n_grids_;
 };
 #endif
\ No newline at end of file
diff --git a/src/solver/lu_decomposition.cu b/src/solver/lu_decomposition.cu
index 4d9a4b43b..1381e71d7 100644
--- a/src/solver/lu_decomposition.cu
+++ b/src/solver/lu_decomposition.cu
@@ -1,184 +1,198 @@
 // Copyright (C) 2023 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
-#include <iostream> 
-#include <vector>
 #include <chrono>
-#include <micm/util/cuda_param.hpp> 
+#include <iostream>
+#include <micm/util/cuda_param.hpp>
+#include <vector>
 
-//grouped parameters passing to DecomposeKernel()
-struct DecomposeDevice{
-    double* A_; 
-    double* L_; 
-    double* U_; 
-    char* do_aik_; 
-    size_t* aik_; 
-    char* do_aki_;
-    size_t* aki_;  
-    size_t* uii_; 
-    std::pair<size_t,size_t>* niLU_;
-    std::pair<size_t, size_t>* uik_nkj_; 
-    std::pair<size_t, size_t>* lij_ujk_;
-    std::pair<size_t, size_t>* lki_nkj_; 
-    std::pair<size_t, size_t>* lkj_uji_;
-    size_t n_grids_;
-    size_t niLU_size_;
-}; 
-namespace micm{
-    namespace cuda{        
-        __global__ void DecomposeKernel(DecomposeDevice* device)
+// grouped parameters passing to DecomposeKernel()
+struct DecomposeDevice
+{
+  double* A_;
+  double* L_;
+  double* U_;
+  char* do_aik_;
+  size_t* aik_;
+  char* do_aki_;
+  size_t* aki_;
+  size_t* uii_;
+  std::pair<size_t, size_t>* niLU_;
+  std::pair<size_t, size_t>* uik_nkj_;
+  std::pair<size_t, size_t>* lij_ujk_;
+  std::pair<size_t, size_t>* lki_nkj_;
+  std::pair<size_t, size_t>* lkj_uji_;
+  size_t n_grids_;
+  size_t niLU_size_;
+};
+namespace micm
+{
+  namespace cuda
+  {
+    __global__ void DecomposeKernel(DecomposeDevice* device)
+    {
+      size_t tid = blockIdx.x * blockDim.x + threadIdx.x;
+      double* A = device->A_;
+      double* L = device->L_;
+      double* U = device->U_;
+      std::pair<size_t, size_t>* lkj_uji = device->lkj_uji_;
+      std::pair<size_t, size_t>* uik_nkj = device->uik_nkj_;
+      std::pair<size_t, size_t>* lij_ujk = device->lij_ujk_;
+      std::pair<size_t, size_t>* lki_nkj = device->lki_nkj_;
+      size_t do_aik_offset = 0;  // boolean vector
+      size_t aik_offset = 0;
+      size_t uik_nkj_offset = 0;
+      size_t lij_ujk_offset = 0;
+      size_t do_aki_offset = 0;  // boolean vector
+      size_t aki_offset = 0;
+      size_t lki_nkj_offset = 0;
+      size_t lkj_uji_offset = 0;
+      size_t uii_offset = 0;
+
+      if (tid < device->n_grids_)
+      {
+        // loop through every element in niLU
+        for (size_t i = 0; i < device->niLU_size_; i++)
         {
-            size_t tid = blockIdx.x * blockDim.x + threadIdx.x;
-            double* A = device->A_; 
-            double* L = device->L_;
-            double* U = device->U_;
-            std::pair<size_t, size_t>* lkj_uji = device->lkj_uji_;
-            std::pair<size_t, size_t>* uik_nkj = device->uik_nkj_;
-            std::pair<size_t, size_t>* lij_ujk = device->lij_ujk_;
-            std::pair<size_t, size_t>* lki_nkj = device->lki_nkj_;
-            size_t do_aik_offset = 0; //boolean vector 
-            size_t aik_offset = 0;
-            size_t uik_nkj_offset = 0; 
-            size_t lij_ujk_offset = 0; 
-            size_t do_aki_offset = 0; //boolean vector 
-            size_t aki_offset = 0; 
-            size_t lki_nkj_offset = 0; 
-            size_t lkj_uji_offset = 0; 
-            size_t uii_offset = 0; 
-            
-            if (tid < device->n_grids_){
-                //loop through every element in niLU 
-                for (size_t i = 0; i < device->niLU_size_; i++){
-                    //upper triangular matrix 
-                    auto inLU = device->niLU_[i]; 
-                    for (size_t iU = 0; iU < inLU.second; ++iU){
-                        if(device->do_aik_[do_aik_offset++]){
-                            size_t U_idx = uik_nkj[uik_nkj_offset].first + tid;
-                            size_t A_idx =  device->aik_[aik_offset++]+ tid; 
-                            U[U_idx] = A[A_idx];
-                        }
-                        
-                        for (size_t ikj = 0; ikj < uik_nkj[uik_nkj_offset].second; ++ikj){
-                            size_t U_idx_1 = uik_nkj[uik_nkj_offset].first + tid; 
-                            size_t L_idx = lij_ujk[lij_ujk_offset].first + tid;
-                            size_t U_idx_2 = lij_ujk[lij_ujk_offset].second + tid;
-                            U[U_idx_1] -= L[L_idx] * U[U_idx_2]; 
-                            ++lij_ujk_offset; 
-                        }
-                        ++uik_nkj_offset; 
-                    }
-                   // lower triangular matrix
-                   
-                    L[lki_nkj[lki_nkj_offset++].first + tid] = 1.0;         
-                    
-                    for (size_t iL = 0; iL <inLU.first; ++iL){
-                        if(device->do_aki_[do_aki_offset++]){
-                            size_t L_idx = lki_nkj[lki_nkj_offset].first + tid; 
-                            size_t A_idx = device->aki_[aki_offset++] + tid; 
-                            L[L_idx] = A[A_idx]; 
-                        }
-                        for(size_t ikj = 0; ikj < lki_nkj[lki_nkj_offset].second;++ikj){
-                            size_t L_idx_1 = lki_nkj[lki_nkj_offset].first + tid;
-                            size_t L_idx_2 = lkj_uji[lkj_uji_offset].first + tid;
-                            size_t U_idx = lkj_uji[lkj_uji_offset].second + tid; 
-                            L[L_idx_1] -= L[L_idx_2] * U[U_idx];
-                            ++lkj_uji_offset; 
-                        }
-                        L[lki_nkj[lki_nkj_offset].first + tid]/=U[device->uii_[uii_offset] + tid]; 
-                        ++lki_nkj_offset; 
-                        ++uii_offset; 
-                     }
-                }
+          // upper triangular matrix
+          auto inLU = device->niLU_[i];
+          for (size_t iU = 0; iU < inLU.second; ++iU)
+          {
+            if (device->do_aik_[do_aik_offset++])
+            {
+              size_t U_idx = uik_nkj[uik_nkj_offset].first + tid;
+              size_t A_idx = device->aik_[aik_offset++] + tid;
+              U[U_idx] = A[A_idx];
             }
-        }// end of kernel
-    
-        std::chrono::nanoseconds DecomposeKernelDriver(
-            CudaSparseMatrixParam& sparseMatrix, 
-            CudaSolverParam& solver){
-            //create device pointers and allocate device memory 
-            double* d_A; 
-            double* d_L; 
-            double* d_U; 
-            bool* d_do_aik; 
-            size_t* d_aik; 
-            bool* d_do_aki;
-            size_t* d_aki;  
-            size_t* d_uii; 
-            std::pair<size_t, size_t>* d_niLU; 
-            std::pair<size_t, size_t>* d_uik_nkj; 
-            std::pair<size_t, size_t>* d_lij_ujk;
-            std::pair<size_t, size_t>* d_lki_nkj; 
-            std::pair<size_t, size_t>* d_lkj_uji;
-            DecomposeDevice* device; 
-        
-            cudaMalloc(&d_A,sizeof(double)* sparseMatrix.A_size_); 
-            cudaMalloc(&d_L,sizeof(double)* sparseMatrix.L_size_); 
-            cudaMalloc(&d_U,sizeof(double)* sparseMatrix.U_size_); 
-            cudaMalloc(&d_do_aik,sizeof(char)* solver.do_aik_size_); 
-            cudaMalloc(&d_aik,sizeof(size_t)* solver.aik_size_); 
-            cudaMalloc(&d_do_aki,sizeof(char)* solver.do_aki_size_); 
-            cudaMalloc(&d_aki,sizeof(size_t)* solver.aki_size_); 
-            cudaMalloc(&d_uii,sizeof(size_t)* solver.uii_size_); 
-            cudaMalloc(&d_niLU,sizeof(std::pair<size_t, size_t>)* solver.niLU_size_); 
-            cudaMalloc(&d_uik_nkj,sizeof(std::pair<size_t, size_t>)* solver.uik_nkj_size_); 
-            cudaMalloc(&d_lij_ujk,sizeof(std::pair<size_t, size_t>)* solver.lij_ujk_size_); 
-            cudaMalloc(&d_lki_nkj,sizeof(std::pair<size_t, size_t>)* solver.lki_nkj_size_); 
-            cudaMalloc(&d_lkj_uji,sizeof(std::pair<size_t, size_t>)* solver.lkj_uji_size_);
-            cudaMalloc(&device, sizeof(DecomposeDevice)); 
 
-            //transfer data from host to device 
-            cudaMemcpy(d_A, sparseMatrix.A_, sizeof(double)* sparseMatrix.A_size_, cudaMemcpyHostToDevice); 
-            cudaMemcpy(d_L, sparseMatrix.L_, sizeof(double)* sparseMatrix.L_size_, cudaMemcpyHostToDevice); 
-            cudaMemcpy(d_U, sparseMatrix.U_, sizeof(double)* sparseMatrix.U_size_, cudaMemcpyHostToDevice); 
-            cudaMemcpy(d_do_aik, solver.do_aik_, sizeof(char)* solver.do_aik_size_, cudaMemcpyHostToDevice); 
-            cudaMemcpy(d_aik, solver.aik_, sizeof(size_t)* solver.aik_size_, cudaMemcpyHostToDevice); 
-            cudaMemcpy(d_do_aki, solver.do_aki_, sizeof(char)* solver.do_aki_size_, cudaMemcpyHostToDevice); 
-            cudaMemcpy(d_aki, solver.aki_, sizeof(size_t)*solver.aki_size_, cudaMemcpyHostToDevice); 
-            cudaMemcpy(d_uii, solver.uii_, sizeof(size_t)* solver.uii_size_, cudaMemcpyHostToDevice);       
-            cudaMemcpy(d_niLU, solver.niLU_, sizeof(std::pair<size_t, size_t>)*solver.niLU_size_, cudaMemcpyHostToDevice); 
-            cudaMemcpy(d_uik_nkj, solver.uik_nkj_, sizeof(std::pair<size_t, size_t>)*solver.uik_nkj_size_, cudaMemcpyHostToDevice);
-            cudaMemcpy(d_lij_ujk, solver.lij_ujk_, sizeof(std::pair<size_t, size_t>)*solver.lij_ujk_size_, cudaMemcpyHostToDevice);
-            cudaMemcpy(d_lki_nkj, solver.lki_nkj_, sizeof(std::pair<size_t, size_t>)*solver.lki_nkj_size_, cudaMemcpyHostToDevice);
-            cudaMemcpy(d_lkj_uji, solver.lkj_uji_, sizeof(std::pair<size_t, size_t>)*solver.lkj_uji_size_, cudaMemcpyHostToDevice);
-            cudaMemcpy(&(device->A_),&d_A, sizeof(double*), cudaMemcpyHostToDevice);
-            cudaMemcpy(&(device->L_),&d_L, sizeof(double*), cudaMemcpyHostToDevice); 
-            cudaMemcpy(&(device->U_),&d_U, sizeof(double*), cudaMemcpyHostToDevice); 
-            cudaMemcpy(&(device->do_aik_), &d_do_aik, sizeof(char*), cudaMemcpyHostToDevice); 
-            cudaMemcpy(&(device->aik_), &d_aik, sizeof(size_t*), cudaMemcpyHostToDevice); 
-            cudaMemcpy(&(device->do_aki_),&d_do_aki,sizeof(char*),cudaMemcpyHostToDevice); 
-            cudaMemcpy(&(device->aki_),&d_aki, sizeof(size_t*), cudaMemcpyHostToDevice); 
-            cudaMemcpy(&(device->uii_), &d_uii, sizeof(size_t*), cudaMemcpyHostToDevice);
-            cudaMemcpy(&(device->niLU_), &d_niLU, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
-            cudaMemcpy(&(device->uik_nkj_), &d_uik_nkj, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice); 
-            cudaMemcpy(&(device->lij_ujk_), &d_lij_ujk, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice); 
-            cudaMemcpy(&(device->lki_nkj_), &d_lki_nkj, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice); 
-            cudaMemcpy(&(device->lkj_uji_), &d_lkj_uji, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice); 
-            
-            //total number of threads is number of blocks in sparseMatrix A 
-            size_t num_block = (sparseMatrix.n_grids_ + BLOCK_SIZE - 1) / BLOCK_SIZE; 
-            device->n_grids_ = sparseMatrix.n_grids_;  
-            device->niLU_size_ = solver.niLU_size_; 
+            for (size_t ikj = 0; ikj < uik_nkj[uik_nkj_offset].second; ++ikj)
+            {
+              size_t U_idx_1 = uik_nkj[uik_nkj_offset].first + tid;
+              size_t L_idx = lij_ujk[lij_ujk_offset].first + tid;
+              size_t U_idx_2 = lij_ujk[lij_ujk_offset].second + tid;
+              U[U_idx_1] -= L[L_idx] * U[U_idx_2];
+              ++lij_ujk_offset;
+            }
+            ++uik_nkj_offset;
+          }
+          // lower triangular matrix
+
+          L[lki_nkj[lki_nkj_offset++].first + tid] = 1.0;
+
+          for (size_t iL = 0; iL < inLU.first; ++iL)
+          {
+            if (device->do_aki_[do_aki_offset++])
+            {
+              size_t L_idx = lki_nkj[lki_nkj_offset].first + tid;
+              size_t A_idx = device->aki_[aki_offset++] + tid;
+              L[L_idx] = A[A_idx];
+            }
+            for (size_t ikj = 0; ikj < lki_nkj[lki_nkj_offset].second; ++ikj)
+            {
+              size_t L_idx_1 = lki_nkj[lki_nkj_offset].first + tid;
+              size_t L_idx_2 = lkj_uji[lkj_uji_offset].first + tid;
+              size_t U_idx = lkj_uji[lkj_uji_offset].second + tid;
+              L[L_idx_1] -= L[L_idx_2] * U[U_idx];
+              ++lkj_uji_offset;
+            }
+            L[lki_nkj[lki_nkj_offset].first + tid] /= U[device->uii_[uii_offset] + tid];
+            ++lki_nkj_offset;
+            ++uii_offset;
+          }
+        }
+      }
+    }  // end of kernel
+
+    std::chrono::nanoseconds DecomposeKernelDriver(CudaSparseMatrixParam& sparseMatrix, CudaSolverParam& solver)
+    {
+      // create device pointers and allocate device memory
+      double* d_A;
+      double* d_L;
+      double* d_U;
+      bool* d_do_aik;
+      size_t* d_aik;
+      bool* d_do_aki;
+      size_t* d_aki;
+      size_t* d_uii;
+      std::pair<size_t, size_t>* d_niLU;
+      std::pair<size_t, size_t>* d_uik_nkj;
+      std::pair<size_t, size_t>* d_lij_ujk;
+      std::pair<size_t, size_t>* d_lki_nkj;
+      std::pair<size_t, size_t>* d_lkj_uji;
+      DecomposeDevice* device;
+
+      cudaMalloc(&d_A, sizeof(double) * sparseMatrix.A_size_);
+      cudaMalloc(&d_L, sizeof(double) * sparseMatrix.L_size_);
+      cudaMalloc(&d_U, sizeof(double) * sparseMatrix.U_size_);
+      cudaMalloc(&d_do_aik, sizeof(char) * solver.do_aik_size_);
+      cudaMalloc(&d_aik, sizeof(size_t) * solver.aik_size_);
+      cudaMalloc(&d_do_aki, sizeof(char) * solver.do_aki_size_);
+      cudaMalloc(&d_aki, sizeof(size_t) * solver.aki_size_);
+      cudaMalloc(&d_uii, sizeof(size_t) * solver.uii_size_);
+      cudaMalloc(&d_niLU, sizeof(std::pair<size_t, size_t>) * solver.niLU_size_);
+      cudaMalloc(&d_uik_nkj, sizeof(std::pair<size_t, size_t>) * solver.uik_nkj_size_);
+      cudaMalloc(&d_lij_ujk, sizeof(std::pair<size_t, size_t>) * solver.lij_ujk_size_);
+      cudaMalloc(&d_lki_nkj, sizeof(std::pair<size_t, size_t>) * solver.lki_nkj_size_);
+      cudaMalloc(&d_lkj_uji, sizeof(std::pair<size_t, size_t>) * solver.lkj_uji_size_);
+      cudaMalloc(&device, sizeof(DecomposeDevice));
+
+      // transfer data from host to device
+      cudaMemcpy(d_A, sparseMatrix.A_, sizeof(double) * sparseMatrix.A_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(d_L, sparseMatrix.L_, sizeof(double) * sparseMatrix.L_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(d_U, sparseMatrix.U_, sizeof(double) * sparseMatrix.U_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(d_do_aik, solver.do_aik_, sizeof(char) * solver.do_aik_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(d_aik, solver.aik_, sizeof(size_t) * solver.aik_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(d_do_aki, solver.do_aki_, sizeof(char) * solver.do_aki_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(d_aki, solver.aki_, sizeof(size_t) * solver.aki_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(d_uii, solver.uii_, sizeof(size_t) * solver.uii_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(d_niLU, solver.niLU_, sizeof(std::pair<size_t, size_t>) * solver.niLU_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(
+          d_uik_nkj, solver.uik_nkj_, sizeof(std::pair<size_t, size_t>) * solver.uik_nkj_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(
+          d_lij_ujk, solver.lij_ujk_, sizeof(std::pair<size_t, size_t>) * solver.lij_ujk_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(
+          d_lki_nkj, solver.lki_nkj_, sizeof(std::pair<size_t, size_t>) * solver.lki_nkj_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(
+          d_lkj_uji, solver.lkj_uji_, sizeof(std::pair<size_t, size_t>) * solver.lkj_uji_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->A_), &d_A, sizeof(double*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->L_), &d_L, sizeof(double*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->U_), &d_U, sizeof(double*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->do_aik_), &d_do_aik, sizeof(char*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->aik_), &d_aik, sizeof(size_t*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->do_aki_), &d_do_aki, sizeof(char*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->aki_), &d_aki, sizeof(size_t*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->uii_), &d_uii, sizeof(size_t*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->niLU_), &d_niLU, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->uik_nkj_), &d_uik_nkj, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->lij_ujk_), &d_lij_ujk, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->lki_nkj_), &d_lki_nkj, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->lkj_uji_), &d_lkj_uji, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
+
+      // total number of threads is number of blocks in sparseMatrix A
+      size_t num_block = (sparseMatrix.n_grids_ + BLOCK_SIZE - 1) / BLOCK_SIZE;
+      device->n_grids_ = sparseMatrix.n_grids_;
+      device->niLU_size_ = solver.niLU_size_;
+
+      // call kernel
+      auto startTime = std::chrono::high_resolution_clock::now();
+      DecomposeKernel<<<num_block, BLOCK_SIZE>>>(device);
+      cudaDeviceSynchronize();
+      auto endTime = std::chrono::high_resolution_clock::now();
+      auto kernel_duration = std::chrono::duration_cast<std::chrono::nanoseconds>(endTime - startTime);
+      cudaMemcpy(sparseMatrix.L_, d_L, sizeof(double) * sparseMatrix.L_size_, cudaMemcpyDeviceToHost);
+      cudaMemcpy(sparseMatrix.U_, d_U, sizeof(double) * sparseMatrix.U_size_, cudaMemcpyDeviceToHost);
 
-           // call kernel
-            auto startTime = std::chrono::high_resolution_clock::now();
-            DecomposeKernel<<<num_block, BLOCK_SIZE>>>(device); 
-            cudaDeviceSynchronize();
-            auto endTime = std::chrono::high_resolution_clock::now();
-            auto kernel_duration = std::chrono::duration_cast<std::chrono::nanoseconds>(endTime - startTime);
-            cudaMemcpy(sparseMatrix.L_, d_L, sizeof(double)* sparseMatrix.L_size_, cudaMemcpyDeviceToHost); 
-            cudaMemcpy(sparseMatrix.U_, d_U, sizeof(double)* sparseMatrix.U_size_, cudaMemcpyDeviceToHost); 
-          
-        //clean up 
-        cudaFree(d_A); 
-        cudaFree(d_L); 
-        cudaFree(d_U); 
-        cudaFree(d_do_aik); 
-        cudaFree(d_aik);
-        cudaFree(d_do_aki); 
-        cudaFree(d_aki); 
-        cudaFree(d_uii); 
-        cudaFree(device); 
-        return kernel_duration; 
-    }//end kernelDriver
- }//end cuda 
-}//end micm
\ No newline at end of file
+      // clean up
+      cudaFree(d_A);
+      cudaFree(d_L);
+      cudaFree(d_U);
+      cudaFree(d_do_aik);
+      cudaFree(d_aik);
+      cudaFree(d_do_aki);
+      cudaFree(d_aki);
+      cudaFree(d_uii);
+      cudaFree(device);
+      return kernel_duration;
+    }  // end kernelDriver
+  }    // namespace cuda
+}  // namespace micm
\ No newline at end of file
diff --git a/test/integration/cmake/test_micm.cpp b/test/integration/cmake/test_micm.cpp
index 03974f612..5db6c1890 100644
--- a/test/integration/cmake/test_micm.cpp
+++ b/test/integration/cmake/test_micm.cpp
@@ -18,11 +18,9 @@ void print_state(double time, State<T>& state)
   oldState.copyfmt(std::cout);
 
   std::cout << std::setw(5) << time << ",";
-  std::cout << std::scientific << std::setprecision(2) 
-    << std::setw(10) << state.variables_[0][state.variable_map_["A"]] << "," 
-    << std::setw(10) << state.variables_[0][state.variable_map_["B"]] << "," 
-    << std::setw(10) << state.variables_[0][state.variable_map_["C"]] 
-    << std::endl;
+  std::cout << std::scientific << std::setprecision(2) << std::setw(10) << state.variables_[0][state.variable_map_["A"]]
+            << "," << std::setw(10) << state.variables_[0][state.variable_map_["B"]] << "," << std::setw(10)
+            << state.variables_[0][state.variable_map_["C"]] << std::endl;
 
   std::cout.copyfmt(oldState);
 }
@@ -46,8 +44,8 @@ int main()
   auto reactions = solver_params.processes_;
 
   RosenbrockSolver<> solver{ chemical_system,
-                                  reactions,
-                                  RosenbrockSolverParameters::three_stage_rosenbrock_parameters(1, false) };
+                             reactions,
+                             RosenbrockSolverParameters::three_stage_rosenbrock_parameters(1, false) };
   State<Matrix> state = solver.GetState();
 
   // mol m-3
diff --git a/test/integration/e5.hpp b/test/integration/e5.hpp
index 098895121..9eb7d4cb8 100644
--- a/test/integration/e5.hpp
+++ b/test/integration/e5.hpp
@@ -2,7 +2,10 @@
 
 #include <micm/solver/rosenbrock.hpp>
 
-template<template<class> class MatrixPolicy = micm::Matrix, template<class> class SparseMatrixPolicy = micm::SparseMatrix, class LinearSolverPolicy = micm::LinearSolver<double, SparseMatrixPolicy>>
+template<
+    template<class> class MatrixPolicy = micm::Matrix,
+    template<class> class SparseMatrixPolicy = micm::SparseMatrix,
+    class LinearSolverPolicy = micm::LinearSolver<double, SparseMatrixPolicy>>
 class E5 : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
 {
  public:
diff --git a/test/integration/hires.hpp b/test/integration/hires.hpp
index 59db5712f..9fb638c26 100644
--- a/test/integration/hires.hpp
+++ b/test/integration/hires.hpp
@@ -2,7 +2,10 @@
 
 #include <micm/solver/rosenbrock.hpp>
 
-template<template<class> class MatrixPolicy = micm::Matrix, template<class> class SparseMatrixPolicy = micm::SparseMatrix, class LinearSolverPolicy = micm::LinearSolver<double, SparseMatrixPolicy>>
+template<
+    template<class> class MatrixPolicy = micm::Matrix,
+    template<class> class SparseMatrixPolicy = micm::SparseMatrix,
+    class LinearSolverPolicy = micm::LinearSolver<double, SparseMatrixPolicy>>
 class HIRES : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
 {
  public:
diff --git a/test/integration/oregonator.hpp b/test/integration/oregonator.hpp
index be6619d57..42a1e0449 100644
--- a/test/integration/oregonator.hpp
+++ b/test/integration/oregonator.hpp
@@ -2,7 +2,10 @@
 
 #include <micm/solver/rosenbrock.hpp>
 
-template<template<class> class MatrixPolicy = micm::Matrix, template<class> class SparseMatrixPolicy = micm::SparseMatrix, class LinearSolverPolicy = micm::LinearSolver<double, SparseMatrixPolicy>>
+template<
+    template<class> class MatrixPolicy = micm::Matrix,
+    template<class> class SparseMatrixPolicy = micm::SparseMatrix,
+    class LinearSolverPolicy = micm::LinearSolver<double, SparseMatrixPolicy>>
 class Oregonator : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
 {
  public:
diff --git a/test/kpp/test_kpp_to_micm.cpp b/test/kpp/test_kpp_to_micm.cpp
index bcff1d90a..05ad70117 100644
--- a/test/kpp/test_kpp_to_micm.cpp
+++ b/test/kpp/test_kpp_to_micm.cpp
@@ -24,28 +24,21 @@ void print_state(double time, micm::State<T>& state)
 
   std::cout << std::setw(5) << time << "," << std::flush;
 
-  std::cout << std::scientific << std::setw(10) << std::setprecision(3)
-            << state.variables_[0][state.variable_map_["M"]]
-            << "," << std::setw(11) << std::setprecision(3)
-            << state.variables_[0][state.variable_map_["O2"]]
-            << "," << std::setw(11) << std::setprecision(3)
-            << state.variables_[0][state.variable_map_["O3"]]
-            << "," << std::setw(11) << std::setprecision(3)
-            << state.variables_[0][state.variable_map_["O"]]
-            << "," << std::setw(11) << std::setprecision(3)
-            << state.variables_[0][state.variable_map_["O1D"]] << std::endl;
+  std::cout << std::scientific << std::setw(10) << std::setprecision(3) << state.variables_[0][state.variable_map_["M"]]
+            << "," << std::setw(11) << std::setprecision(3) << state.variables_[0][state.variable_map_["O2"]] << ","
+            << std::setw(11) << std::setprecision(3) << state.variables_[0][state.variable_map_["O3"]] << ","
+            << std::setw(11) << std::setprecision(3) << state.variables_[0][state.variable_map_["O"]] << "," << std::setw(11)
+            << std::setprecision(3) << state.variables_[0][state.variable_map_["O1D"]] << std::endl;
 
   std::cout.copyfmt(oldState);
 }
 
-int main(const int argc, const char *argv[])
+int main(const int argc, const char* argv[])
 {
-
   micm::SolverConfig solver_config;
 
   // Read and parse the configure files
-  micm::ConfigParseStatus status = solver_config.ReadAndParse(
-    "./configs/kpp_chapman");
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./configs/kpp_chapman");
 
   if (status != micm::ConfigParseStatus::Success)
   {
@@ -57,10 +50,11 @@ int main(const int argc, const char *argv[])
   auto& process_vector = solver_params.processes_;
 
   // Print reactions from reactions configuration
-  for (int i = 0; i < process_vector.size(); i++) {
-
+  for (int i = 0; i < process_vector.size(); i++)
+  {
     int n_reactants = process_vector[i].reactants_.size();
-    for (int j = 0; j < n_reactants - 1; j++) {
+    for (int j = 0; j < n_reactants - 1; j++)
+    {
       std::cout << process_vector[i].reactants_[j].name_ << " + ";
     }
     std::cout << process_vector[i].reactants_[n_reactants - 1].name_;
@@ -68,13 +62,15 @@ int main(const int argc, const char *argv[])
     std::cout << " --> ";
 
     int n_products = process_vector[i].products_.size();
-    for (int j = 0; j < n_products - 1; j++) {
+    for (int j = 0; j < n_products - 1; j++)
+    {
       std::cout << process_vector[i].products_[j].first.name_ << " + ";
     }
     std::cout << process_vector[i].products_[n_products - 1].first.name_;
 
     std::vector<std::string> param_labels = process_vector[i].rate_constant_->CustomParameters();
-    for (int k = 0; k < param_labels.size(); k++) {
+    for (int k = 0; k < param_labels.size(); k++)
+    {
       std::cout << " " << param_labels[k];
     }
 
@@ -85,8 +81,8 @@ int main(const int argc, const char *argv[])
   auto reactions = solver_params.processes_;
 
   micm::RosenbrockSolver<micm::Matrix, SparseMatrixPolicy> solver{
-    chemical_system, reactions,
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+    chemical_system, reactions, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+  };
 
   micm::State state = solver.GetState();
 
@@ -102,7 +98,7 @@ int main(const int argc, const char *argv[])
   double N_Avogadro = 6.02214076e23;
   // molecules cm-3 -> mol m-3, z = 30 km, S&P3e table 5.1 p. 121
   double n_M = 3.1e17 * 1.0e6 / N_Avogadro;
-  double n_O2 = 0.21 * n_M; // [O2] ~ 0.21 [M]
+  double n_O2 = 0.21 * n_M;  // [O2] ~ 0.21 [M]
   // typical [O3] mid-latitude z ~ 30 km
   double n_O3 = 2.0e12 * 1.0e6 / N_Avogadro;
   // [O] / [O3] ~ 3e-5, S&P3e p. 124
@@ -125,11 +121,12 @@ int main(const int argc, const char *argv[])
   print_header();
   print_state(0, state);
 
-  for (int i = 0; i < nstep; ++i) {
-
+  for (int i = 0; i < nstep; ++i)
+  {
     double elapsed_solve_time = 0;
 
-    while (elapsed_solve_time < time_step) {
+    while (elapsed_solve_time < time_step)
+    {
       auto result = solver.Solve(time_step - elapsed_solve_time, state);
       elapsed_solve_time = result.final_time_;
       state.variables_[0] = result.result_.AsVector();
diff --git a/test/tutorial/test_README_example.cpp b/test/tutorial/test_README_example.cpp
index fba9cefb2..f84e9df59 100644
--- a/test/tutorial/test_README_example.cpp
+++ b/test/tutorial/test_README_example.cpp
@@ -37,20 +37,16 @@ int main(const int argc, const char *argv[])
   state.conditions_[0].pressure_ = 101319.9;   // Pa
   state.SetConcentration(foo, 20.0);           // mol m-3
 
-  std::cout << std::setw(5) << "time [s]," 
-            << std::setw(13) << "foo, "
-            << std::setw(12) << "bar, "
-            << std::setw(10) << "baz" << std::endl;
+  std::cout << std::setw(5) << "time [s]," << std::setw(13) << "foo, " << std::setw(12) << "bar, " << std::setw(10) << "baz"
+            << std::endl;
   for (int i = 0; i < 10; ++i)
   {
     auto result = solver.Solve(500.0, state);
     state.variables_ = result.result_;
-    std::cout << std::setfill(' ') << std::fixed
-              << std::setw(8) << std::setprecision(2) << i * 500.0 << ", "
+    std::cout << std::setfill(' ') << std::fixed << std::setw(8) << std::setprecision(2) << i * 500.0 << ", "
               << std::setw(10) << std::setprecision(4) << state.variables_[0][state.variable_map_["Foo"]] << ", "
-              << std::setw(10) << std::setprecision(4) << state.variables_[0][state.variable_map_["Bar"]] << ", " 
-              << std::setw(10) << std::setprecision(4) << state.variables_[0][state.variable_map_["Baz"]]
-              << std::endl;
+              << std::setw(10) << std::setprecision(4) << state.variables_[0][state.variable_map_["Bar"]] << ", "
+              << std::setw(10) << std::setprecision(4) << state.variables_[0][state.variable_map_["Baz"]] << std::endl;
   }
 
   return 0;
diff --git a/test/tutorial/test_but_how_fast_is_it.cpp b/test/tutorial/test_but_how_fast_is_it.cpp
index cdc114fd3..209296878 100644
--- a/test/tutorial/test_but_how_fast_is_it.cpp
+++ b/test/tutorial/test_but_how_fast_is_it.cpp
@@ -1,8 +1,8 @@
+#include <chrono>
 #include <iomanip>
 #include <iostream>
 #include <micm/process/user_defined_rate_constant.hpp>
 #include <micm/solver/rosenbrock.hpp>
-#include <chrono>
 
 // Use our namespace so that this example is easier to read
 using namespace micm;
@@ -34,9 +34,8 @@ int main()
                    .phase(gas_phase);
 
   RosenbrockSolver<> solver{ System(SystemParameters{ .gas_phase_ = gas_phase }),
-                                                       std::vector<Process>{ r1, r2, r3 },
-                                                       RosenbrockSolverParameters::three_stage_rosenbrock_parameters(
-                                                           3, false) };
+                             std::vector<Process>{ r1, r2, r3 },
+                             RosenbrockSolverParameters::three_stage_rosenbrock_parameters(3, false) };
 
   State<Matrix> state = solver.GetState();
 
diff --git a/test/tutorial/test_multiple_grid_cells.cpp b/test/tutorial/test_multiple_grid_cells.cpp
index bf0216108..988d814a1 100644
--- a/test/tutorial/test_multiple_grid_cells.cpp
+++ b/test/tutorial/test_multiple_grid_cells.cpp
@@ -70,11 +70,9 @@ int main()
                          .rate_constant(micm::UserDefinedRateConstant({ .label_ = "r3" }))
                          .phase(gas_phase);
 
-  micm::RosenbrockSolver<> solver{
-    micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-    std::vector<micm::Process>{ r1, r2, r3 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(3, false)
-  };
+  micm::RosenbrockSolver<> solver{ micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+                                   std::vector<micm::Process>{ r1, r2, r3 },
+                                   micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(3, false) };
 
   State<Matrix> state = solver.GetState();
 
diff --git a/test/tutorial/test_openmp.cpp b/test/tutorial/test_openmp.cpp
index ead3829ff..16a935cab 100644
--- a/test/tutorial/test_openmp.cpp
+++ b/test/tutorial/test_openmp.cpp
@@ -17,11 +17,8 @@ void print_results(std::vector<double> results)
   std::ios oldState(nullptr);
   oldState.copyfmt(std::cout);
 
-  std::cout << std::scientific << std::setprecision(2) 
-    << std::setw(10) << results[0] << "," 
-    << std::setw(10) << results[1] << "," 
-    << std::setw(10) << results[2] 
-    << std::endl;
+  std::cout << std::scientific << std::setprecision(2) << std::setw(10) << results[0] << "," << std::setw(10) << results[1]
+            << "," << std::setw(10) << results[2] << std::endl;
 
   std::cout.copyfmt(oldState);
 }
@@ -29,8 +26,8 @@ void print_results(std::vector<double> results)
 std::vector<double> test_solver_on_thread(System chemical_system, std::vector<Process> reactions)
 {
   RosenbrockSolver<> solver{ chemical_system,
-                                  reactions,
-                                  RosenbrockSolverParameters::three_stage_rosenbrock_parameters(1, false) };
+                             reactions,
+                             RosenbrockSolverParameters::three_stage_rosenbrock_parameters(1, false) };
   State<Matrix> state = solver.GetState();
 
   // mol m-3
diff --git a/test/tutorial/test_rate_constants_user_defined_by_hand.cpp b/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
index df997e096..5ca59be84 100644
--- a/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
+++ b/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
@@ -146,9 +146,7 @@ int main(const int argc, const char* argv[])
   auto chemical_system = System(micm::SystemParameters{ .gas_phase_ = gas_phase });
   auto reactions = std::vector<micm::Process>{ r1, r2, r3, r4, r5, r6, r7, r8, r9, r10 };
 
-  RosenbrockSolver<> solver{ chemical_system,
-                                                       reactions,
-                                                       RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+  RosenbrockSolver<> solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
   State state = solver.GetState();
 
   state.conditions_[0].temperature_ = 287.45;  // K
diff --git a/test/tutorial/test_rate_constants_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_user_defined_with_config.cpp
index 60ba430e4..59ddbb5d8 100644
--- a/test/tutorial/test_rate_constants_user_defined_with_config.cpp
+++ b/test/tutorial/test_rate_constants_user_defined_with_config.cpp
@@ -62,9 +62,7 @@ int main(const int argc, const char* argv[])
   auto chemical_system = solver_params.system_;
   auto reactions = solver_params.processes_;
 
-  RosenbrockSolver<> solver{ chemical_system,
-                                                       reactions,
-                                                       RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+  RosenbrockSolver<> solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
 
   State state = solver.GetState();
 
diff --git a/test/tutorial/test_solver_configuration.cpp b/test/tutorial/test_solver_configuration.cpp
index 611fadecc..e52b5d76b 100644
--- a/test/tutorial/test_solver_configuration.cpp
+++ b/test/tutorial/test_solver_configuration.cpp
@@ -1,6 +1,6 @@
+#include <chrono>
 #include <iomanip>
 #include <iostream>
-#include <chrono>
 #include <micm/process/user_defined_rate_constant.hpp>
 #include <micm/solver/rosenbrock.hpp>
 
@@ -22,11 +22,9 @@ void print_state(double time, State<T>& state)
   oldState.copyfmt(std::cout);
 
   std::cout << std::setw(5) << time << ",";
-  std::cout << std::scientific << std::setprecision(2) 
-    << std::setw(10) << state.variables_[0][state.variable_map_["A"]] << "," 
-    << std::setw(10) << state.variables_[0][state.variable_map_["B"]] << "," 
-    << std::setw(10) << state.variables_[0][state.variable_map_["C"]] 
-    << std::endl;
+  std::cout << std::scientific << std::setprecision(2) << std::setw(10) << state.variables_[0][state.variable_map_["A"]]
+            << "," << std::setw(10) << state.variables_[0][state.variable_map_["B"]] << "," << std::setw(10)
+            << state.variables_[0][state.variable_map_["C"]] << std::endl;
 
   std::cout.copyfmt(oldState);
 }
@@ -37,7 +35,7 @@ void test_solver_type(T solver)
   State<Matrix> state = solver.GetState();
 
   // mol m-3
-  state.variables_[0] = {1, 0, 0};
+  state.variables_[0] = { 1, 0, 0 };
 
   double k1 = 0.04;
   double k2 = 3e7;
@@ -61,8 +59,8 @@ void test_solver_type(T solver)
   print_state(0, state);
 
   typename T::SolverStats total_stats;
-  std::chrono::duration<double, std::nano> total_solve_time = std::chrono::nanoseconds::zero();;
-
+  std::chrono::duration<double, std::nano> total_solve_time = std::chrono::nanoseconds::zero();
+  ;
 
   // solve for ten iterations
   for (int i = 0; i < 10; ++i)
@@ -144,25 +142,19 @@ int main()
   auto system = System(SystemParameters{ .gas_phase_ = gas_phase });
   auto reactions = std::vector<Process>{ r1, r2, r3 };
 
-  RosenbrockSolver<> two_stage{
-    system, reactions, RosenbrockSolverParameters::two_stage_rosenbrock_parameters()
-  };
+  RosenbrockSolver<> two_stage{ system, reactions, RosenbrockSolverParameters::two_stage_rosenbrock_parameters() };
 
-  RosenbrockSolver<> three_stage{
-    system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
+  RosenbrockSolver<> three_stage{ system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
 
-  RosenbrockSolver<> four_stage{
-    system, reactions, RosenbrockSolverParameters::four_stage_rosenbrock_parameters()
-  };
+  RosenbrockSolver<> four_stage{ system, reactions, RosenbrockSolverParameters::four_stage_rosenbrock_parameters() };
 
-  RosenbrockSolver<> four_stage_da{
-    system, reactions, RosenbrockSolverParameters::four_stage_differential_algebraic_rosenbrock_parameters()
-  };
+  RosenbrockSolver<> four_stage_da{ system,
+                                    reactions,
+                                    RosenbrockSolverParameters::four_stage_differential_algebraic_rosenbrock_parameters() };
 
-  RosenbrockSolver<> six_stage_da{
-    system, reactions, RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters()
-  };
+  RosenbrockSolver<> six_stage_da{ system,
+                                   reactions,
+                                   RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters() };
 
   std::cout << "Two stages: " << std::endl;
   test_solver_type(two_stage);
diff --git a/test/unit/openmp/test_openmp.cpp b/test/unit/openmp/test_openmp.cpp
index c398143e5..94707145f 100644
--- a/test/unit/openmp/test_openmp.cpp
+++ b/test/unit/openmp/test_openmp.cpp
@@ -12,9 +12,7 @@ using SparseMatrixPolicy = SparseMatrix<T>;
 std::vector<double> test_solver_on_thread(System chemical_system, std::vector<Process> reactions)
 {
   std::cout << "Running solver on thread " << omp_get_thread_num() << std::endl;
-  RosenbrockSolver<> solver{ chemical_system,
-                                  reactions,
-                                  RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+  RosenbrockSolver<> solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
   State<Matrix> state = solver.GetState();
 
   // mol m-3
@@ -76,10 +74,11 @@ TEST(OpenMP, OneFileReadThreeThreads)
   {
     std::vector<double> result = test_solver_on_thread(chemical_system, reactions);
     results[omp_get_thread_num()] = result;
-#pragma omp barrier 
+#pragma omp barrier
   }
 
-  for(int i = 0; i < results[0].size(); ++i) {
+  for (int i = 0; i < results[0].size(); ++i)
+  {
     EXPECT_EQ(results[0][i], results[1][i]);
     EXPECT_EQ(results[0][i], results[2][i]);
     EXPECT_EQ(results[1][i], results[2][i]);
diff --git a/test/unit/process/test_cuda_process_set.cpp b/test/unit/process/test_cuda_process_set.cpp
index 8448c7c06..2fbdc9bd2 100644
--- a/test/unit/process/test_cuda_process_set.cpp
+++ b/test/unit/process/test_cuda_process_set.cpp
@@ -1,4 +1,5 @@
 #include <gtest/gtest.h>
+
 #include <chrono>
 #include <functional>
 #include <iostream>
@@ -178,5 +179,5 @@ TEST(RandomCudaProcessSet, Forcing)
 }
 TEST(RandomCudaProcessSet, Jacobian)
 {
-  testRandomSystemAddJacobianTerms<Group10000VectorMatrix, Group10000SparseVectorMatrix>(10000,500,400);
+  testRandomSystemAddJacobianTerms<Group10000VectorMatrix, Group10000SparseVectorMatrix>(10000, 500, 400);
 }
diff --git a/test/unit/process/test_process.cpp b/test/unit/process/test_process.cpp
index bf5088e74..a3112e573 100644
--- a/test/unit/process/test_process.cpp
+++ b/test/unit/process/test_process.cpp
@@ -95,13 +95,12 @@ TEST(Process, SurfaceRateConstantOnlyHasOneReactant)
 {
   micm::Species c("c", { { "molecular weight [kg mol-1]", 0.025 }, { "diffusion coefficient [m2 s-1]", 2.3e2 } });
   micm::Species e("e");
-  
-  micm::Phase gas_phase({c, e});
-  EXPECT_ANY_THROW(
-    micm::Process r = micm::Process::create()
-                    .reactants({ c, c })
-                    .products({ yields(e, 1) })
-                    .rate_constant(micm::SurfaceRateConstant({ .label_ = "c", .species_ = c, .reaction_probability_ = 0.90 }))
-                    .phase(gas_phase);
-  ); 
+
+  micm::Phase gas_phase({ c, e });
+  EXPECT_ANY_THROW(micm::Process r = micm::Process::create()
+                                         .reactants({ c, c })
+                                         .products({ yields(e, 1) })
+                                         .rate_constant(micm::SurfaceRateConstant(
+                                             { .label_ = "c", .species_ = c, .reaction_probability_ = 0.90 }))
+                                         .phase(gas_phase););
 }
diff --git a/test/unit/solver/test_cuda_lu_decomposition.cpp b/test/unit/solver/test_cuda_lu_decomposition.cpp
index fa1cf4ed7..06512d939 100644
--- a/test/unit/solver/test_cuda_lu_decomposition.cpp
+++ b/test/unit/solver/test_cuda_lu_decomposition.cpp
@@ -1,9 +1,10 @@
 #pragma once
 #include <gtest/gtest.h>
-#include <micm/util/cuda_param.hpp>
+
 #include <functional>
+#include <micm/solver/cuda_lu_decomposition.hpp>
 #include <micm/solver/lu_decomposition.hpp>
-#include <micm/solver/cuda_lu_decomposition.hpp> 
+#include <micm/util/cuda_param.hpp>
 #include <micm/util/sparse_matrix.hpp>
 #include <micm/util/sparse_matrix_vector_ordering.hpp>
 #include <random>
@@ -51,22 +52,24 @@ void check_results(
 template<typename T, template<class> class SparseMatrixPolicy>
 void gpu_validation(
     const SparseMatrixPolicy<T>& gpu_L,
-    const SparseMatrixPolicy<T>& cpu_L, 
+    const SparseMatrixPolicy<T>& cpu_L,
     const SparseMatrixPolicy<T>& gpu_U,
     const SparseMatrixPolicy<T>& cpu_U)
 {
-      size_t L_size = cpu_L.AsVector().size(); 
-      size_t U_size = cpu_U.AsVector().size(); 
-      std::vector<T> gpu_L_vector = gpu_L.AsVector();
-      std::vector<T> cpu_L_vector = cpu_L.AsVector(); 
-      std::vector<T> gpu_U_vector = gpu_U.AsVector();
-      std::vector<T> cpu_U_vector = cpu_U.AsVector(); 
-      for (int i = 0; i < L_size; i++){
-        EXPECT_EQ(gpu_L_vector[i], cpu_L_vector[i]); 
-      };
-      for (int j = 0; j < U_size; j++){
-        EXPECT_EQ(gpu_U_vector[j], cpu_U_vector[j]); 
-      };
+  size_t L_size = cpu_L.AsVector().size();
+  size_t U_size = cpu_U.AsVector().size();
+  std::vector<T> gpu_L_vector = gpu_L.AsVector();
+  std::vector<T> cpu_L_vector = cpu_L.AsVector();
+  std::vector<T> gpu_U_vector = gpu_U.AsVector();
+  std::vector<T> cpu_U_vector = cpu_U.AsVector();
+  for (int i = 0; i < L_size; i++)
+  {
+    EXPECT_EQ(gpu_L_vector[i], cpu_L_vector[i]);
+  };
+  for (int j = 0; j < U_size; j++)
+  {
+    EXPECT_EQ(gpu_U_vector[j], cpu_U_vector[j]);
+  };
 }
 
 template<template<class> class SparseMatrixPolicy>
@@ -89,19 +92,19 @@ void testRandomMatrix(size_t n_grids)
         for (std::size_t i_block = 0; i_block < n_grids; ++i_block)
           A[i_block][i][j] = get_double();
 
-  micm::LuDecomposition gpu_lud(A); 
-  auto gpu_LU = micm::CudaLuDecomposition::GetLUMatrices(A, 1.0e-30); 
-  gpu_lud.Decompose<double, SparseMatrixPolicy>(A, gpu_LU.first, gpu_LU.second); 
+  micm::LuDecomposition gpu_lud(A);
+  auto gpu_LU = micm::CudaLuDecomposition::GetLUMatrices(A, 1.0e-30);
+  gpu_lud.Decompose<double, SparseMatrixPolicy>(A, gpu_LU.first, gpu_LU.second);
   check_results<double, SparseMatrixPolicy>(
-      A, gpu_LU.first, gpu_LU.second, [&](const double a, const double b) -> void {EXPECT_NEAR(a, b, 1.0e-5); });
+      A, gpu_LU.first, gpu_LU.second, [&](const double a, const double b) -> void { EXPECT_NEAR(a, b, 1.0e-5); });
 
   micm::LuDecomposition cpu_lud(A);
   auto cpu_LU = micm::LuDecomposition::GetLUMatrices(A, 1.0e-30);
   cpu_lud.Decompose<double, SparseMatrixPolicy>(A, cpu_LU.first, cpu_LU.second);
-  
-  //checking GPU result again CPU
-  gpu_validation<double, SparseMatrixPolicy>(gpu_LU.first, cpu_LU.first, gpu_LU.second, cpu_LU.second); 
-}  
+
+  // checking GPU result again CPU
+  gpu_validation<double, SparseMatrixPolicy>(gpu_LU.first, cpu_LU.first, gpu_LU.second, cpu_LU.second);
+}
 
 template<class T>
 using Group1SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<10>>;
diff --git a/test/unit/solver/test_lu_decomposition.cpp b/test/unit/solver/test_lu_decomposition.cpp
index 6588083f2..5a91e43e3 100644
--- a/test/unit/solver/test_lu_decomposition.cpp
+++ b/test/unit/solver/test_lu_decomposition.cpp
@@ -26,8 +26,8 @@ TEST(LuDecomposition, DenseMatrixStandardOrdering)
 
 TEST(LuDecomposition, SingularMatrixStandardOrdering)
 {
-    testSingularMatrix<SparseMatrixTest, micm::LuDecomposition>(
-        [](const SparseMatrixTest<double>& matrix) -> micm::LuDecomposition { return micm::LuDecomposition{ matrix }; });
+  testSingularMatrix<SparseMatrixTest, micm::LuDecomposition>(
+      [](const SparseMatrixTest<double>& matrix) -> micm::LuDecomposition { return micm::LuDecomposition{ matrix }; });
 }
 
 TEST(LuDecomposition, RandomMatrixStandardOrdering)
diff --git a/test/unit/solver/test_rosenbrock.cpp b/test/unit/solver/test_rosenbrock.cpp
index e2e019b26..48b44ede2 100644
--- a/test/unit/solver/test_rosenbrock.cpp
+++ b/test/unit/solver/test_rosenbrock.cpp
@@ -124,10 +124,14 @@ using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorO
 
 TEST(RosenbrockSolver, DenseAlphaMinusJacobian)
 {
-  testAlphaMinusJacobian<Group1VectorMatrix, Group1SparseVectorMatrix, micm::LinearSolver<double, Group1SparseVectorMatrix>>(1);
-  testAlphaMinusJacobian<Group2VectorMatrix, Group2SparseVectorMatrix, micm::LinearSolver<double, Group2SparseVectorMatrix>>(4);
-  testAlphaMinusJacobian<Group3VectorMatrix, Group3SparseVectorMatrix, micm::LinearSolver<double, Group3SparseVectorMatrix>>(3);
-  testAlphaMinusJacobian<Group4VectorMatrix, Group4SparseVectorMatrix, micm::LinearSolver<double, Group4SparseVectorMatrix>>(2);
+  testAlphaMinusJacobian<Group1VectorMatrix, Group1SparseVectorMatrix, micm::LinearSolver<double, Group1SparseVectorMatrix>>(
+      1);
+  testAlphaMinusJacobian<Group2VectorMatrix, Group2SparseVectorMatrix, micm::LinearSolver<double, Group2SparseVectorMatrix>>(
+      4);
+  testAlphaMinusJacobian<Group3VectorMatrix, Group3SparseVectorMatrix, micm::LinearSolver<double, Group3SparseVectorMatrix>>(
+      3);
+  testAlphaMinusJacobian<Group4VectorMatrix, Group4SparseVectorMatrix, micm::LinearSolver<double, Group4SparseVectorMatrix>>(
+      2);
 }
 
 TEST(RosenbrockSolver, Timing)

From eab5c0276cddee394d6c09ba347e6cda58244879 Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Mon, 23 Oct 2023 21:15:38 -0600
Subject: [PATCH 158/318] Populate processes.phase with species array.

---
 include/micm/configure/camp_config.hpp   | 8 ++++++++
 test/unit/configure/test_camp_config.cpp | 4 ++--
 2 files changed, 10 insertions(+), 2 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 62d2f709c..d20302031 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -196,6 +196,14 @@ namespace micm
         std::cout << "Parse species_arr_ size " << species_arr_.size() << std::endl;
         gas_phase_ = Phase(species_arr_);
 
+        for (auto& p : processes_)
+        {
+          for (const auto& s : species_arr_)
+          {
+            p.phase_.species_.push_back(s);
+          }
+        }
+
         return status;
       }
 
diff --git a/test/unit/configure/test_camp_config.cpp b/test/unit/configure/test_camp_config.cpp
index f245e3c3e..ccd51f60e 100644
--- a/test/unit/configure/test_camp_config.cpp
+++ b/test/unit/configure/test_camp_config.cpp
@@ -84,7 +84,7 @@ TEST(SolverConfig, ReadAndParseProcessObjects)
     EXPECT_EQ(p.products_.size(), num_products_in_each_process[idx]);
     if (num_products_in_each_process[idx] > 0)
       EXPECT_EQ(p.products_[0].second, yield_value_of_first_product_in_each_process[idx]);
-    // EXPECT_EQ(p.phase_.species_.size(), num_phase_in_each_process);
+    EXPECT_EQ(p.phase_.species_.size(), num_phase_in_each_process);
     idx++;
   }
 
@@ -194,7 +194,7 @@ TEST(SolverConfig, ReadAndParseProcessObjectsfromMZ326)
   {
     EXPECT_EQ(p.reactants_.size(), num_reactants_in_each_process[idx]);
     EXPECT_EQ(p.products_.size(), num_products_in_each_process[idx]);
-    // EXPECT_EQ(p.phase_.species_.size(), num_phase_in_each_process);
+    EXPECT_EQ(p.phase_.species_.size(), num_phase_in_each_process);
     idx++;
   }
 

From c984438711f2362c39cc1c3dd104658a735f871e Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 23 Oct 2023 21:23:02 -0600
Subject: [PATCH 159/318] Removed CAMP invalid file unit test.

---
 test/unit/configure/test_camp_config.cpp | 9 ---------
 1 file changed, 9 deletions(-)

diff --git a/test/unit/configure/test_camp_config.cpp b/test/unit/configure/test_camp_config.cpp
index ccd51f60e..43e40ab8f 100644
--- a/test/unit/configure/test_camp_config.cpp
+++ b/test/unit/configure/test_camp_config.cpp
@@ -2,15 +2,6 @@
 
 #include <micm/configure/camp_config.hpp>
 
-/*
-TEST(SolverConfig, DetectsInvalidConfigFile)
-{
-  micm::SolverConfig solverConfig{};
-  auto status = solverConfig.ReadAndParse("not_a_config_file_directory");
-  EXPECT_EQ(micm::ConfigParseStatus::InvalidCAMPFilePath, status);
-}
-*/
-
 TEST(SolverConfig, ReadAndParseCAMPFiles)
 {
   micm::SolverConfig solverConfig{};

From ea61fda31d65e7a50f3a9d29134a7f63771374b9 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Tue, 24 Oct 2023 09:25:30 -0600
Subject: [PATCH 160/318] Commented some debug statements.

---
 include/micm/configure/camp_config.hpp | 7 +++----
 1 file changed, 3 insertions(+), 4 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index d20302031..04eabe183 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -172,7 +172,6 @@ namespace micm
 
         for (const auto& camp_file : camp_files)
         {
-          std::cout << "JsonReaderPolicy.Parse CAMP file " << camp_file << std::endl;
           json config_subset = json::parse(std::ifstream(camp_file));
 
           if (config_subset.contains(CAMP_DATA))
@@ -193,7 +192,6 @@ namespace micm
         status = ParseObjectArray(objects);
 
         // Assign the parsed 'Species' to 'Phase'
-        std::cout << "Parse species_arr_ size " << species_arr_.size() << std::endl;
         gas_phase_ = Phase(species_arr_);
 
         for (auto& p : processes_)
@@ -222,8 +220,9 @@ namespace micm
           }
           std::string type = object[TYPE].get<std::string>();
 
-          std::cout << type << std::endl;
-          std::cout << object.dump(4) << std::endl;
+          // debug statements
+          // std::cout << type << std::endl;
+          // std::cout << object.dump(4) << std::endl;
 
           if (type == "CHEM_SPEC")
           {

From 55c0ddd952dc1bfb79f8aa24f69bd32277c28bc8 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Tue, 24 Oct 2023 14:30:06 -0600
Subject: [PATCH 161/318] Added unit_config config.json files.

---
 include/micm/configure/camp_config.hpp     | 27 ----------------------
 test/unit/unit_configs/MZ326/config.json   |  1 +
 test/unit/unit_configs/chapman/config.json |  1 +
 3 files changed, 2 insertions(+), 27 deletions(-)
 create mode 100644 test/unit/unit_configs/MZ326/config.json
 create mode 100644 test/unit/unit_configs/chapman/config.json

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 04eabe183..0168a2429 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -103,10 +103,6 @@ namespace micm
       // Constants
       // Configure files
       static const inline std::string CAMP_CONFIG = "config.json";
-      static const inline std::string SPECIES_CONFIG = "species.json";
-      static const inline std::string MECHANISM_CONFIG = "mechanism.json";
-      static const inline std::string REACTIONS_CONFIG = "reactions.json";
-      static const inline std::string TOLERANCE_CONFIG = "tolerance.json";
 
       // Common JSON
       static const inline std::string CAMP_DATA = "camp-data";
@@ -135,29 +131,6 @@ namespace micm
             camp_files.push_back(config_dir / element.get<std::string>());
           }
         }
-        else
-        {
-          std::filesystem::path species_config(config_dir / SPECIES_CONFIG);
-          std::filesystem::path mechanism_config(config_dir / MECHANISM_CONFIG);
-          std::filesystem::path reactions_config(config_dir / REACTIONS_CONFIG);
-          std::filesystem::path tolerance_config(config_dir / TOLERANCE_CONFIG);
-          if (std::filesystem::exists(species_config))
-          {
-            camp_files.push_back(species_config);
-          }
-          if (std::filesystem::exists(mechanism_config))
-          {
-            camp_files.push_back(mechanism_config);
-          }
-          if (std::filesystem::exists(reactions_config))
-          {
-            camp_files.push_back(reactions_config);
-          }
-          if (std::filesystem::exists(tolerance_config))
-          {
-            camp_files.push_back(tolerance_config);
-          }
-        }
 
         // No config files found
         if (camp_files.size() < 1)
diff --git a/test/unit/unit_configs/MZ326/config.json b/test/unit/unit_configs/MZ326/config.json
new file mode 100644
index 000000000..60b3f556f
--- /dev/null
+++ b/test/unit/unit_configs/MZ326/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "tolerance.json", "reactions.json"]}
diff --git a/test/unit/unit_configs/chapman/config.json b/test/unit/unit_configs/chapman/config.json
new file mode 100644
index 000000000..045297e2b
--- /dev/null
+++ b/test/unit/unit_configs/chapman/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "mechanism.json"]}

From 458a2e857bad3a00543dd46db2805858a5cd266d Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Wed, 25 Oct 2023 10:13:36 -0600
Subject: [PATCH 162/318] Switch to configuration file argument to Parse,
 extract configuration dir from file path.

---
 include/micm/configure/camp_config.hpp   | 15 +++++++--------
 test/unit/configure/test_camp_config.cpp | 10 +++++-----
 2 files changed, 12 insertions(+), 13 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 0168a2429..797d5bd94 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -100,26 +100,25 @@ namespace micm
       std::unordered_map<std::string, Phase> phases_;
       std::vector<Process> processes_;
 
-      // Constants
-      // Configure files
-      static const inline std::string CAMP_CONFIG = "config.json";
-
       // Common JSON
-      static const inline std::string CAMP_DATA = "camp-data";
       static const inline std::string CAMP_FILES = "camp-files";
+      static const inline std::string CAMP_DATA = "camp-data";
       static const inline std::string TYPE = "type";
 
       // Functions
 
       /// @brief Parse configures
-      /// @param config_dir Path to a the configuration directory
+      /// @param config_file Path to a the configuration file
       /// @return True for successful parsing
-      ConfigParseStatus Parse(const std::filesystem::path& config_dir)
+      ConfigParseStatus Parse(const std::filesystem::path& config_file)
       {
+        // Extract configuration dir from configuration file path
+        std::filesystem::path config_dir = config_file.parent_path();
+
         std::vector<std::string> camp_files;
 
         // Look for CAMP config file
-        std::filesystem::path camp_config(config_dir / CAMP_CONFIG);
+        std::filesystem::path camp_config(config_file);
         if (std::filesystem::exists(camp_config))
         {
           json camp_data = json::parse(std::ifstream(camp_config));
diff --git a/test/unit/configure/test_camp_config.cpp b/test/unit/configure/test_camp_config.cpp
index 43e40ab8f..934ae6ca1 100644
--- a/test/unit/configure/test_camp_config.cpp
+++ b/test/unit/configure/test_camp_config.cpp
@@ -7,7 +7,7 @@ TEST(SolverConfig, ReadAndParseCAMPFiles)
   micm::SolverConfig solverConfig{};
 
   // Read and parse the CAMP configure file
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_valid");
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_valid/config.json");
   EXPECT_EQ(micm::ConfigParseStatus::Success, status);
 }
 
@@ -16,7 +16,7 @@ TEST(SolverConfig, ReadAndParseSystemObject)
   micm::SolverConfig solverConfig;
 
   // Read and parse the configure files
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/chapman");
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/chapman/config.json");
   EXPECT_EQ(micm::ConfigParseStatus::Success, status);
 
   // Get solver parameters ('System', the collection of 'Process')
@@ -49,7 +49,7 @@ TEST(SolverConfig, ReadAndParseProcessObjects)
   micm::SolverConfig<micm::JsonReaderPolicy> solverConfig;
 
   // Read and parse the configure files
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/chapman");
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/chapman/config.json");
   EXPECT_EQ(micm::ConfigParseStatus::Success, status);
 
   // Get solver parameters ('System', the collection of 'Process')
@@ -133,7 +133,7 @@ TEST(SolverConfig, ReadAndParseProcessObjects)
 TEST(SolverConfig, ReadAndParseSystemObjectfromMZ326)
 {
   micm::SolverConfig solverConfig;
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/MZ326");
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/MZ326/config.json");
   EXPECT_EQ(micm::ConfigParseStatus::Success, status);
 
   // Get solver parameters ('System', the collection of 'Process')
@@ -163,7 +163,7 @@ TEST(SolverConfig, ReadAndParseSystemObjectfromMZ326)
 TEST(SolverConfig, ReadAndParseProcessObjectsfromMZ326)
 {
   micm::SolverConfig solverConfig;
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/MZ326");
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/MZ326/config.json");
   EXPECT_EQ(micm::ConfigParseStatus::Success, status);
 
   // Get solver parameters ('System', the collection of 'Process')

From 50414f11b6863a49f8f5c5655992b9a29664bf2b Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Wed, 25 Oct 2023 10:28:16 -0600
Subject: [PATCH 163/318] Removed tolerance.json from CAMP file list for
 solver_config unit tests.

---
 test/unit/unit_configs/MZ326/config.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/test/unit/unit_configs/MZ326/config.json b/test/unit/unit_configs/MZ326/config.json
index 60b3f556f..61165b00d 100644
--- a/test/unit/unit_configs/MZ326/config.json
+++ b/test/unit/unit_configs/MZ326/config.json
@@ -1 +1 @@
-{"camp-files": ["species.json", "tolerance.json", "reactions.json"]}
+{"camp-files": ["species.json", "reactions.json"]}

From ad21ac1ee47fe629c635468a1b47996241960d7e Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Wed, 25 Oct 2023 10:52:19 -0600
Subject: [PATCH 164/318] Check for invalid CAMP file path.

---
 include/micm/configure/camp_config.hpp | 25 ++++++++++++++++---------
 1 file changed, 16 insertions(+), 9 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 797d5bd94..5a4c370b0 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -108,26 +108,33 @@ namespace micm
       // Functions
 
       /// @brief Parse configures
-      /// @param config_file Path to a the configuration file
+      /// @param config_file Path to a the CAMP configuration file
       /// @return True for successful parsing
       ConfigParseStatus Parse(const std::filesystem::path& config_file)
       {
+        if (!std::filesystem::exists(config_file))
+        {
+	  std::string msg = "Invalid CAMP configuration file path";
+	  std::cerr << msg << std::endl;
+          return ConfigParseStatus::InvalidCAMPFilePath;
+        }
+
         // Extract configuration dir from configuration file path
         std::filesystem::path config_dir = config_file.parent_path();
 
         std::vector<std::string> camp_files;
 
         // Look for CAMP config file
-        std::filesystem::path camp_config(config_file);
-        if (std::filesystem::exists(camp_config))
-        {
-          json camp_data = json::parse(std::ifstream(camp_config));
-          if (!camp_data.contains(CAMP_FILES))
-            return ConfigParseStatus::CAMPFilesSectionNotFound;
+        json camp_data = json::parse(std::ifstream(config_file));
+        if (!camp_data.contains(CAMP_FILES))
+          return ConfigParseStatus::CAMPFilesSectionNotFound;
 
-          for (const auto& element : camp_data[CAMP_FILES])
+        for (const auto& element : camp_data[CAMP_FILES])
+        {
+          std::filesystem::path camp_file = config_dir / element.get<std::string>();
+          if (std::filesystem::exists(camp_file))
           {
-            camp_files.push_back(config_dir / element.get<std::string>());
+            camp_files.push_back(camp_file);
           }
         }
 

From 0e3a4e4427f92d25b40dc2937927cb1de26cfc9e Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Wed, 25 Oct 2023 11:09:30 -0600
Subject: [PATCH 165/318] Added some unit tests for config files not found.

---
 include/micm/configure/camp_config.hpp   |  7 +++++--
 test/unit/configure/test_camp_config.cpp | 14 ++++++++++++++
 2 files changed, 19 insertions(+), 2 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 5a4c370b0..6736e0107 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -112,6 +112,7 @@ namespace micm
       /// @return True for successful parsing
       ConfigParseStatus Parse(const std::filesystem::path& config_file)
       {
+        // Look for CAMP config file
         if (!std::filesystem::exists(config_file))
         {
 	  std::string msg = "Invalid CAMP configuration file path";
@@ -122,9 +123,10 @@ namespace micm
         // Extract configuration dir from configuration file path
         std::filesystem::path config_dir = config_file.parent_path();
 
+        // The CAMP file list
         std::vector<std::string> camp_files;
 
-        // Look for CAMP config file
+        // Load the CAMP file list JSON
         json camp_data = json::parse(std::ifstream(config_file));
         if (!camp_data.contains(CAMP_FILES))
           return ConfigParseStatus::CAMPFilesSectionNotFound;
@@ -136,12 +138,13 @@ namespace micm
           {
             camp_files.push_back(camp_file);
           }
+          // Error return here if CAMP files list has a missing file? 
         }
 
         // No config files found
         if (camp_files.size() < 1)
         {
-	  std::string msg = "No config files found";
+	  std::string msg = "No CAMP list files found";
 	  std::cerr << msg << std::endl;
           return ConfigParseStatus::NoConfigFilesFound;
         }
diff --git a/test/unit/configure/test_camp_config.cpp b/test/unit/configure/test_camp_config.cpp
index 934ae6ca1..b839c6fad 100644
--- a/test/unit/configure/test_camp_config.cpp
+++ b/test/unit/configure/test_camp_config.cpp
@@ -2,6 +2,20 @@
 
 #include <micm/configure/camp_config.hpp>
 
+TEST(SolverConfig, DetectsInvalidConfigFile)
+{
+  micm::SolverConfig solverConfig{};
+  auto status = solverConfig.ReadAndParse("not_a_config_file");
+  EXPECT_EQ(micm::ConfigParseStatus::InvalidCAMPFilePath, status);
+}
+
+TEST(SolverConfig, NoConfigFilesFound)
+{
+  micm::SolverConfig solverConfig{};
+  auto status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_invalid/config.json");
+  EXPECT_EQ(micm::ConfigParseStatus::NoConfigFilesFound, status);
+}
+
 TEST(SolverConfig, ReadAndParseCAMPFiles)
 {
   micm::SolverConfig solverConfig{};

From 91ea2df1a28712a9745c9b9e5d25f2f754bcc4f2 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Wed, 25 Oct 2023 11:33:58 -0600
Subject: [PATCH 166/318] Clear all vectors and maps within JsonReader before
 parsing the object list.

---
 include/micm/configure/camp_config.hpp | 13 +++++++++++++
 1 file changed, 13 insertions(+)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 6736e0107..3553fb477 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -171,6 +171,19 @@ namespace micm
 
         ConfigParseStatus status;
 
+        // Clear vectors and maps
+        species_arr_.clear();
+        user_defined_rate_arr_.clear();
+        arrhenius_rate_arr_.clear();
+        troe_rate_arr_.clear();
+        branched_rate_arr_.clear();
+        surface_rate_arr_.clear();
+        ternary_rate_arr_.clear();
+        tunneling_rate_arr_.clear();
+        phases_.clear();
+        processes_.clear();
+
+        // Parse data object list
         status = ParseObjectArray(objects);
 
         // Assign the parsed 'Species' to 'Phase'

From a3734c4e8fec36103bddf8f932e952fbe83c41fb Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Wed, 25 Oct 2023 11:46:23 -0600
Subject: [PATCH 167/318] Call configStatusToString for error messages.

---
 include/micm/configure/camp_config.hpp | 21 +++++++++++++++------
 1 file changed, 15 insertions(+), 6 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 3553fb477..23b5c985f 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -112,12 +112,16 @@ namespace micm
       /// @return True for successful parsing
       ConfigParseStatus Parse(const std::filesystem::path& config_file)
       {
+        // Parse status
+        ConfigParseStatus status;
+
         // Look for CAMP config file
         if (!std::filesystem::exists(config_file))
         {
-	  std::string msg = "Invalid CAMP configuration file path";
+          status = ConfigParseStatus::InvalidCAMPFilePath;
+	  std::string msg = configParseStatusToString(status);
 	  std::cerr << msg << std::endl;
-          return ConfigParseStatus::InvalidCAMPFilePath;
+          return status;
         }
 
         // Extract configuration dir from configuration file path
@@ -129,7 +133,12 @@ namespace micm
         // Load the CAMP file list JSON
         json camp_data = json::parse(std::ifstream(config_file));
         if (!camp_data.contains(CAMP_FILES))
-          return ConfigParseStatus::CAMPFilesSectionNotFound;
+        {
+          status = ConfigParseStatus::CAMPFilesSectionNotFound;
+	  std::string msg = configParseStatusToString(status);
+	  std::cerr << msg << std::endl;
+          return status;
+        }
 
         for (const auto& element : camp_data[CAMP_FILES])
         {
@@ -144,9 +153,10 @@ namespace micm
         // No config files found
         if (camp_files.size() < 1)
         {
-	  std::string msg = "No CAMP list files found";
+          status = ConfigParseStatus::NoConfigFilesFound;
+	  std::string msg = configParseStatusToString(status);
 	  std::cerr << msg << std::endl;
-          return ConfigParseStatus::NoConfigFilesFound;
+          return status;
         }
 
         // Iterate CAMP file list and form CAMP data object list
@@ -169,7 +179,6 @@ namespace micm
           }
         }
 
-        ConfigParseStatus status;
 
         // Clear vectors and maps
         species_arr_.clear();

From 5ee2a66afbbe7b18a741f0ca8483cf341cdecd42 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Wed, 25 Oct 2023 14:36:20 -0600
Subject: [PATCH 168/318] Added test/surface_rxt subdir.

---
 test/CMakeLists.txt                   |  1 +
 test/surface_rxn/CMakeLists.txt       | 21 +++++++++++++++++++++
 test/surface_rxn/config.json          |  1 +
 test/surface_rxn/test_surface_rxn.cpp | 11 +++++++++++
 4 files changed, 34 insertions(+)
 create mode 100644 test/surface_rxn/CMakeLists.txt
 create mode 100644 test/surface_rxn/config.json
 create mode 100644 test/surface_rxn/test_surface_rxn.cpp

diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt
index a87f8b2f7..37f830a1e 100644
--- a/test/CMakeLists.txt
+++ b/test/CMakeLists.txt
@@ -6,3 +6,4 @@ add_subdirectory(regression)
 add_subdirectory(integration)
 add_subdirectory(tutorial)
 add_subdirectory(kpp)
+add_subdirectory(surface_rxn)
diff --git a/test/surface_rxn/CMakeLists.txt b/test/surface_rxn/CMakeLists.txt
new file mode 100644
index 000000000..79a20318c
--- /dev/null
+++ b/test/surface_rxn/CMakeLists.txt
@@ -0,0 +1,21 @@
+################################################################################
+# Test utilities
+
+include(test_util)
+
+################################################################################
+# Tests
+
+if(ENABLE_JSON)
+  create_standard_test(NAME surface_rxn SOURCES test_surface_rxn.cpp)
+endif()
+
+################################################################################
+
+################################################################################
+# Copy test data
+
+add_custom_target(copy_kpp_configs ALL ${CMAKE_COMMAND} -E copy_directory
+  ${CMAKE_CURRENT_SOURCE_DIR}/configs ${CMAKE_BINARY_DIR}/configs)
+
+################################################################################
diff --git a/test/surface_rxn/config.json b/test/surface_rxn/config.json
new file mode 100644
index 000000000..045297e2b
--- /dev/null
+++ b/test/surface_rxn/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "mechanism.json"]}
diff --git a/test/surface_rxn/test_surface_rxn.cpp b/test/surface_rxn/test_surface_rxn.cpp
new file mode 100644
index 000000000..bc82ccf17
--- /dev/null
+++ b/test/surface_rxn/test_surface_rxn.cpp
@@ -0,0 +1,11 @@
+#include <micm/configure/solver_config.hpp>
+#include <micm/solver/rosenbrock.hpp>
+#include <micm/system/species.hpp>
+
+
+int main(const int argc, const char* argv[])
+{
+  micm::SolverConfig solver_config;
+
+  return 0;
+}

From f12db33c0d60ed2b4131f31134380fb6420b59a1 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Wed, 25 Oct 2023 14:42:19 -0600
Subject: [PATCH 169/318] Added CAMP config list.

---
 test/surface_rxn/configs/config.json | 1 +
 1 file changed, 1 insertion(+)
 create mode 100644 test/surface_rxn/configs/config.json

diff --git a/test/surface_rxn/configs/config.json b/test/surface_rxn/configs/config.json
new file mode 100644
index 000000000..045297e2b
--- /dev/null
+++ b/test/surface_rxn/configs/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "mechanism.json"]}

From 7213156ba975a4de5c5f4d7e710f67a5e3fd9336 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Wed, 25 Oct 2023 14:45:57 -0600
Subject: [PATCH 170/318] Fixed CMakeLists.

---
 test/surface_rxn/CMakeLists.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/test/surface_rxn/CMakeLists.txt b/test/surface_rxn/CMakeLists.txt
index 79a20318c..70b717586 100644
--- a/test/surface_rxn/CMakeLists.txt
+++ b/test/surface_rxn/CMakeLists.txt
@@ -15,7 +15,7 @@ endif()
 ################################################################################
 # Copy test data
 
-add_custom_target(copy_kpp_configs ALL ${CMAKE_COMMAND} -E copy_directory
+add_custom_target(copy_surface_rxn_configs ALL ${CMAKE_COMMAND} -E copy_directory
   ${CMAKE_CURRENT_SOURCE_DIR}/configs ${CMAKE_BINARY_DIR}/configs)
 
 ################################################################################

From 3e4024c2dd63de1d2094aac9530bc6f4c43246d6 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 25 Oct 2023 16:16:07 -0500
Subject: [PATCH 171/318] 164 prevent non standard keys in json (#317)

* adding a schema validator

* preventing nonstandard keys and adding tests for troe and arrhenius

* checking qty and yield on products and reactants

* checking for invalid quantity and yeild for every reaction type...

* no nonstandard keys are allowed in reaction types now

* added all optional keys for chemical species

* correcting names

* setting a thing to make nvidia happy

* correcting comment
---
 include/micm/configure/solver_config.hpp      | 283 ++++++++++++++----
 test/unit/configure/process/CMakeLists.txt    |   2 +
 .../process/test_arrhenius_config.cpp         | 114 +++++++
 .../process/test_branched_config.cpp          |  27 ++
 .../process/test_emission_config.cpp          |   8 +
 .../process/test_first_order_loss_config.cpp  |   8 +
 .../process/test_photolysis_config.cpp        |  24 ++
 .../configure/process/test_surface_config.cpp |  17 ++
 ...est_ternary_chemical_activation_config.cpp |  24 ++
 .../configure/process/test_troe_config.cpp    |  98 ++++++
 .../process/test_tunneling_config.cpp         |  24 ++
 test/unit/configure/test_solver_config.cpp    | 127 --------
 test/unit/unit_configs/MZ326/reactions.json   |  87 ------
 test/unit/unit_configs/MZ326/species.json     |  40 ---
 .../contains_nonstandard_key/reactions.json   |  24 ++
 .../contains_nonstandard_key/species.json     |  20 ++
 .../contains_nonstandard_key}/tolerance.json  |   0
 .../arrhenius/missing_products/reactions.json |  17 ++
 .../arrhenius/missing_products/species.json   |  16 +
 .../arrhenius/missing_products/tolerance.json |   8 +
 .../missing_reactants/reactions.json          |  17 ++
 .../arrhenius/missing_reactants/species.json  |  16 +
 .../missing_reactants/tolerance.json          |   8 +
 .../mutually_exclusive/reactions.json         |  27 ++
 .../arrhenius/mutually_exclusive/species.json |  20 ++
 .../mutually_exclusive/tolerance.json         |   8 +
 .../nonstandard_product_coef/reactions.json   |  20 ++
 .../nonstandard_product_coef/species.json     |  20 ++
 .../nonstandard_product_coef/tolerance.json   |   8 +
 .../nonstandard_reactant_coef/reactions.json  |  20 ++
 .../nonstandard_reactant_coef/species.json    |  20 ++
 .../nonstandard_reactant_coef/tolerance.json  |   8 +
 .../process/arrhenius/valid/reactions.json    |  54 ++++
 .../process/arrhenius/valid/species.json      |  20 ++
 .../process/arrhenius/valid/tolerance.json    |   8 +
 .../contains_nonstandard_key/reactions.json   |  52 ++++
 .../contains_nonstandard_key/species.json     |  20 ++
 .../contains_nonstandard_key/tolerance.json   |   8 +
 .../branched/missing_reactants/reactions.json |   6 +-
 .../reactions.json                            |  27 ++
 .../species.json                              |  20 ++
 .../tolerance.json                            |   8 +
 .../reactions.json                            |  27 ++
 .../species.json                              |  20 ++
 .../tolerance.json                            |   8 +
 .../nonstandard_reactant_coef/reactions.json  |  27 ++
 .../nonstandard_reactant_coef/species.json    |  20 ++
 .../nonstandard_reactant_coef/tolerance.json  |   8 +
 .../process/branched/valid/reactions.json     |   1 +
 .../contains_nonstandard_key/reactions.json   |  16 +
 .../contains_nonstandard_key/species.json     |  20 ++
 .../contains_nonstandard_key/tolerance.json   |   8 +
 .../process/emission/valid/reactions.json     |   1 +
 .../contains_nonstandard_key/reactions.json   |  16 +
 .../contains_nonstandard_key/species.json     |  20 ++
 .../contains_nonstandard_key/tolerance.json   |   8 +
 .../first_order_loss/valid/reactions.json     |   1 +
 .../contains_nonstandard_key/reactions.json   |  33 ++
 .../contains_nonstandard_key/species.json     |  20 ++
 .../contains_nonstandard_key/tolerance.json   |   8 +
 .../nonstandard_product_coef/reactions.json   |  21 ++
 .../nonstandard_product_coef/species.json     |  20 ++
 .../nonstandard_product_coef/tolerance.json   |   8 +
 .../nonstandard_reactant_coef/reactions.json  |  21 ++
 .../nonstandard_reactant_coef/species.json    |  20 ++
 .../nonstandard_reactant_coef/tolerance.json  |   8 +
 .../contains_nonstandard_key/reactions.json   |  20 ++
 .../contains_nonstandard_key/species.json     |  24 ++
 .../contains_nonstandard_key/tolerance.json   |   8 +
 .../nonstandard_product_coef/reactions.json   |  20 ++
 .../nonstandard_product_coef/species.json     |  24 ++
 .../nonstandard_product_coef/tolerance.json   |   8 +
 .../process/surface/valid/reactions.json      |   1 +
 .../contains_nonstandard_key/reactions.json   |  40 +++
 .../contains_nonstandard_key/species.json     |  20 ++
 .../contains_nonstandard_key/tolerance.json   |   8 +
 .../nonstandard_product_coef/reactions.json   |  22 ++
 .../nonstandard_product_coef/species.json     |  20 ++
 .../nonstandard_product_coef/tolerance.json   |   8 +
 .../nonstandard_reactant_coef/reactions.json  |  22 ++
 .../nonstandard_reactant_coef/species.json    |  20 ++
 .../nonstandard_reactant_coef/tolerance.json  |   8 +
 .../valid/reactions.json                      |   1 +
 .../contains_nonstandard_key/reactions.json   |  40 +++
 .../contains_nonstandard_key/species.json     |  20 ++
 .../contains_nonstandard_key/tolerance.json   |   8 +
 .../troe/missing_products/reactions.json      |  17 ++
 .../troe/missing_products/species.json        |  16 +
 .../troe/missing_products/tolerance.json      |   8 +
 .../troe/missing_reactants/reactions.json     |  17 ++
 .../troe/missing_reactants/species.json       |  16 +
 .../troe/missing_reactants/tolerance.json     |   8 +
 .../nonstandard_product_coef/reactions.json   |  22 ++
 .../nonstandard_product_coef/species.json     |  20 ++
 .../nonstandard_product_coef/tolerance.json   |   8 +
 .../nonstandard_reactant_coef/reactions.json  |  22 ++
 .../nonstandard_reactant_coef/species.json    |  20 ++
 .../nonstandard_reactant_coef/tolerance.json  |   8 +
 .../process/troe/valid/reactions.json         |  41 +++
 .../process/troe/valid/species.json           |  20 ++
 .../process/troe/valid/tolerance.json         |   8 +
 .../contains_nonstandard_key/reactions.json   |  22 ++
 .../contains_nonstandard_key/species.json     |  20 ++
 .../contains_nonstandard_key/tolerance.json   |   8 +
 .../nonstandard_product_coef/reactions.json   |  22 ++
 .../nonstandard_product_coef/species.json     |  20 ++
 .../nonstandard_product_coef/tolerance.json   |   8 +
 .../nonstandard_reactant_coef/reactions.json  |  22 ++
 .../nonstandard_reactant_coef/species.json    |  20 ++
 .../nonstandard_reactant_coef/tolerance.json  |   8 +
 .../process/tunneling/valid/reactions.json    |   1 +
 111 files changed, 2170 insertions(+), 317 deletions(-)
 create mode 100644 test/unit/configure/process/test_arrhenius_config.cpp
 create mode 100644 test/unit/configure/process/test_troe_config.cpp
 delete mode 100644 test/unit/unit_configs/MZ326/reactions.json
 delete mode 100644 test/unit/unit_configs/MZ326/species.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/contains_nonstandard_key/reactions.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/contains_nonstandard_key/species.json
 rename test/unit/unit_configs/{MZ326 => process/arrhenius/contains_nonstandard_key}/tolerance.json (100%)
 create mode 100644 test/unit/unit_configs/process/arrhenius/missing_products/reactions.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/missing_products/species.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/missing_products/tolerance.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/missing_reactants/reactions.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/missing_reactants/species.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/missing_reactants/tolerance.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/mutually_exclusive/reactions.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/mutually_exclusive/species.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/mutually_exclusive/tolerance.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/nonstandard_product_coef/reactions.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/nonstandard_product_coef/species.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/nonstandard_product_coef/tolerance.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/nonstandard_reactant_coef/reactions.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/nonstandard_reactant_coef/species.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/nonstandard_reactant_coef/tolerance.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/valid/reactions.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/valid/species.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/valid/tolerance.json
 create mode 100644 test/unit/unit_configs/process/branched/contains_nonstandard_key/reactions.json
 create mode 100644 test/unit/unit_configs/process/branched/contains_nonstandard_key/species.json
 create mode 100644 test/unit/unit_configs/process/branched/contains_nonstandard_key/tolerance.json
 create mode 100644 test/unit/unit_configs/process/branched/nonstandard_alkoxy_product_coef/reactions.json
 create mode 100644 test/unit/unit_configs/process/branched/nonstandard_alkoxy_product_coef/species.json
 create mode 100644 test/unit/unit_configs/process/branched/nonstandard_alkoxy_product_coef/tolerance.json
 create mode 100644 test/unit/unit_configs/process/branched/nonstandard_nitrate_product_coef/reactions.json
 create mode 100644 test/unit/unit_configs/process/branched/nonstandard_nitrate_product_coef/species.json
 create mode 100644 test/unit/unit_configs/process/branched/nonstandard_nitrate_product_coef/tolerance.json
 create mode 100644 test/unit/unit_configs/process/branched/nonstandard_reactant_coef/reactions.json
 create mode 100644 test/unit/unit_configs/process/branched/nonstandard_reactant_coef/species.json
 create mode 100644 test/unit/unit_configs/process/branched/nonstandard_reactant_coef/tolerance.json
 create mode 100644 test/unit/unit_configs/process/emission/contains_nonstandard_key/reactions.json
 create mode 100644 test/unit/unit_configs/process/emission/contains_nonstandard_key/species.json
 create mode 100644 test/unit/unit_configs/process/emission/contains_nonstandard_key/tolerance.json
 create mode 100644 test/unit/unit_configs/process/first_order_loss/contains_nonstandard_key/reactions.json
 create mode 100644 test/unit/unit_configs/process/first_order_loss/contains_nonstandard_key/species.json
 create mode 100644 test/unit/unit_configs/process/first_order_loss/contains_nonstandard_key/tolerance.json
 create mode 100644 test/unit/unit_configs/process/photolysis/contains_nonstandard_key/reactions.json
 create mode 100644 test/unit/unit_configs/process/photolysis/contains_nonstandard_key/species.json
 create mode 100644 test/unit/unit_configs/process/photolysis/contains_nonstandard_key/tolerance.json
 create mode 100644 test/unit/unit_configs/process/photolysis/nonstandard_product_coef/reactions.json
 create mode 100644 test/unit/unit_configs/process/photolysis/nonstandard_product_coef/species.json
 create mode 100644 test/unit/unit_configs/process/photolysis/nonstandard_product_coef/tolerance.json
 create mode 100644 test/unit/unit_configs/process/photolysis/nonstandard_reactant_coef/reactions.json
 create mode 100644 test/unit/unit_configs/process/photolysis/nonstandard_reactant_coef/species.json
 create mode 100644 test/unit/unit_configs/process/photolysis/nonstandard_reactant_coef/tolerance.json
 create mode 100644 test/unit/unit_configs/process/surface/contains_nonstandard_key/reactions.json
 create mode 100644 test/unit/unit_configs/process/surface/contains_nonstandard_key/species.json
 create mode 100644 test/unit/unit_configs/process/surface/contains_nonstandard_key/tolerance.json
 create mode 100644 test/unit/unit_configs/process/surface/nonstandard_product_coef/reactions.json
 create mode 100644 test/unit/unit_configs/process/surface/nonstandard_product_coef/species.json
 create mode 100644 test/unit/unit_configs/process/surface/nonstandard_product_coef/tolerance.json
 create mode 100644 test/unit/unit_configs/process/ternary_chemical_activation/contains_nonstandard_key/reactions.json
 create mode 100644 test/unit/unit_configs/process/ternary_chemical_activation/contains_nonstandard_key/species.json
 create mode 100644 test/unit/unit_configs/process/ternary_chemical_activation/contains_nonstandard_key/tolerance.json
 create mode 100644 test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_product_coef/reactions.json
 create mode 100644 test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_product_coef/species.json
 create mode 100644 test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_product_coef/tolerance.json
 create mode 100644 test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef/reactions.json
 create mode 100644 test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef/species.json
 create mode 100644 test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef/tolerance.json
 create mode 100644 test/unit/unit_configs/process/troe/contains_nonstandard_key/reactions.json
 create mode 100644 test/unit/unit_configs/process/troe/contains_nonstandard_key/species.json
 create mode 100644 test/unit/unit_configs/process/troe/contains_nonstandard_key/tolerance.json
 create mode 100644 test/unit/unit_configs/process/troe/missing_products/reactions.json
 create mode 100644 test/unit/unit_configs/process/troe/missing_products/species.json
 create mode 100644 test/unit/unit_configs/process/troe/missing_products/tolerance.json
 create mode 100644 test/unit/unit_configs/process/troe/missing_reactants/reactions.json
 create mode 100644 test/unit/unit_configs/process/troe/missing_reactants/species.json
 create mode 100644 test/unit/unit_configs/process/troe/missing_reactants/tolerance.json
 create mode 100644 test/unit/unit_configs/process/troe/nonstandard_product_coef/reactions.json
 create mode 100644 test/unit/unit_configs/process/troe/nonstandard_product_coef/species.json
 create mode 100644 test/unit/unit_configs/process/troe/nonstandard_product_coef/tolerance.json
 create mode 100644 test/unit/unit_configs/process/troe/nonstandard_reactant_coef/reactions.json
 create mode 100644 test/unit/unit_configs/process/troe/nonstandard_reactant_coef/species.json
 create mode 100644 test/unit/unit_configs/process/troe/nonstandard_reactant_coef/tolerance.json
 create mode 100644 test/unit/unit_configs/process/troe/valid/reactions.json
 create mode 100644 test/unit/unit_configs/process/troe/valid/species.json
 create mode 100644 test/unit/unit_configs/process/troe/valid/tolerance.json
 create mode 100644 test/unit/unit_configs/process/tunneling/contains_nonstandard_key/reactions.json
 create mode 100644 test/unit/unit_configs/process/tunneling/contains_nonstandard_key/species.json
 create mode 100644 test/unit/unit_configs/process/tunneling/contains_nonstandard_key/tolerance.json
 create mode 100644 test/unit/unit_configs/process/tunneling/nonstandard_product_coef/reactions.json
 create mode 100644 test/unit/unit_configs/process/tunneling/nonstandard_product_coef/species.json
 create mode 100644 test/unit/unit_configs/process/tunneling/nonstandard_product_coef/tolerance.json
 create mode 100644 test/unit/unit_configs/process/tunneling/nonstandard_reactant_coef/reactions.json
 create mode 100644 test/unit/unit_configs/process/tunneling/nonstandard_reactant_coef/species.json
 create mode 100644 test/unit/unit_configs/process/tunneling/nonstandard_reactant_coef/tolerance.json

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index ea004b40e..b4df2a88c 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -39,7 +39,9 @@ namespace micm
     CAMPDataSectionNotFound,
     InvalidMechanism,
     ObjectTypeNotFound,
-    RequiredKeyNotFound
+    RequiredKeyNotFound,
+    ContainsNonStandardKey,
+    MutuallyExclusiveOption
   };
 
   inline std::string configParseStatusToString(const ConfigParseStatus& status)
@@ -59,6 +61,8 @@ namespace micm
       case ConfigParseStatus::InvalidMechanism: return "InvalidMechanism";
       case ConfigParseStatus::ObjectTypeNotFound: return "ObjectTypeNotFound";
       case ConfigParseStatus::RequiredKeyNotFound: return "RequiredKeyNotFound";
+      case ConfigParseStatus::ContainsNonStandardKey: return "ContainsNonStandardKey";
+      case ConfigParseStatus::MutuallyExclusiveOption: return "MutuallyExclusiveOption";
       default: return "Unknown";
     }
   }
@@ -330,14 +334,12 @@ namespace micm
       // required keys
       const std::string NAME = "name";
 
-      std::array<std::string, 1> required_keys = { NAME };
-
-      // Check if it contains the required key(s)
-      for (const auto& key : required_keys)
+      auto status = ValidateSchema(object, { NAME, "type" }, { "tracer type", "absolute tolerance", "diffusion coefficient [m2 s-1]", "molecular weight [kg mol-1]" });
+      if (status != ConfigParseStatus::Success)
       {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
+        return status;
       }
+
       std::string name = object[NAME].get<std::string>();
 
       // Load remaining keys as properties
@@ -359,12 +361,12 @@ namespace micm
 
     ConfigParseStatus ParseMechanism(const json& object)
     {
-      std::vector<std::string> required_keys = { "name", "reactions" };
-      for (const auto& key : required_keys)
+      auto status = ValidateSchema(object, { "name", "reactions", "type" }, {});
+      if (status != ConfigParseStatus::Success)
       {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
+        return status;
       }
+
       std::vector<json> objects;
       for (const auto& element : object["reactions"])
       {
@@ -374,28 +376,42 @@ namespace micm
       return ParseObjectArray(objects);
     }
 
-    std::vector<Species> ParseReactants(const json& object)
+    std::pair<ConfigParseStatus, std::vector<Species>> ParseReactants(const json& object)
     {
       const std::string QTY = "qty";
       std::vector<Species> reactants;
+
+      ConfigParseStatus status = ConfigParseStatus::Success;
+
       for (auto& [key, value] : object.items())
       {
         std::size_t qty = 1;
+        auto new_status = ValidateSchema(value, {}, { "qty" });
+        if (new_status != ConfigParseStatus::Success) {
+          status = new_status;
+        }
         if (value.contains(QTY))
           qty = value[QTY];
         for (std::size_t i = 0; i < qty; ++i)
           reactants.push_back(Species(key));
       }
-      return reactants;
+      return std::make_pair(status, reactants);
     }
 
-    std::vector<std::pair<Species, double>> ParseProducts(const json& object)
+    std::pair<ConfigParseStatus, std::vector<std::pair<Species, double>>> ParseProducts(const json& object)
     {
       const std::string YIELD = "yield";
+        
+      ConfigParseStatus status = ConfigParseStatus::Success;
+
       constexpr double DEFAULT_YEILD = 1.0;
       std::vector<std::pair<Species, double>> products;
       for (auto& [key, value] : object.items())
       {
+        auto new_status = ValidateSchema(value, {}, { "yield" });
+        if (new_status != ConfigParseStatus::Success) {
+          status = new_status;
+        }
         if (value.contains(YIELD))
         {
           products.push_back(std::make_pair(Species(key), value[YIELD]));
@@ -405,7 +421,7 @@ namespace micm
           products.push_back(std::make_pair(Species(key), DEFAULT_YEILD));
         }
       }
-      return products;
+      return std::make_pair(status, products);
     }
 
     ConfigParseStatus ParsePhotolysis(const json& object)
@@ -414,22 +430,32 @@ namespace micm
       const std::string PRODUCTS = "products";
       const std::string MUSICA_NAME = "MUSICA name";
 
-      for (const auto& key : { REACTANTS, PRODUCTS, MUSICA_NAME })
+      auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, {});
+      if (status != ConfigParseStatus::Success)
       {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
+        return status;
       }
 
       auto reactants = ParseReactants(object[REACTANTS]);
       auto products = ParseProducts(object[PRODUCTS]);
 
+      if (reactants.first != ConfigParseStatus::Success)
+      {
+        return reactants.first;
+      }
+
+      if (products.first != ConfigParseStatus::Success)
+      {
+        return products.first;
+      }
+
       std::string name = "PHOTO." + object[MUSICA_NAME].get<std::string>();
 
       user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
 
       std::unique_ptr<UserDefinedRateConstant> rate_ptr =
           std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
-      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
       return ConfigParseStatus::Success;
     }
@@ -439,16 +465,25 @@ namespace micm
       const std::string REACTANTS = "reactants";
       const std::string PRODUCTS = "products";
 
-      // Check required json objects exist
-      for (const auto& key : { REACTANTS, PRODUCTS })
+      auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS }, { "A", "B", "C", "D", "E", "Ea", "MUSICA name" });
+      if (status != ConfigParseStatus::Success)
       {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
+        return status;
       }
 
       auto reactants = ParseReactants(object[REACTANTS]);
       auto products = ParseProducts(object[PRODUCTS]);
 
+      if (reactants.first != ConfigParseStatus::Success)
+      {
+        return reactants.first;
+      }
+
+      if (products.first != ConfigParseStatus::Success)
+      {
+        return products.first;
+      }
+
       ArrheniusRateConstantParameters parameters;
       if (object.contains("A"))
       {
@@ -472,6 +507,11 @@ namespace micm
       }
       if (object.contains("Ea"))
       {
+        if (parameters.C_ != 0)
+        {
+          std::cerr << "Ea is specified when C is also specified for an Arrhenius reaction. Pick one." << std::endl;
+          return ConfigParseStatus::MutuallyExclusiveOption;
+        }
         // Calculate 'C' using 'Ea'
         parameters.C_ = -1 * object["Ea"].get<double>() / BOLTZMANN_CONSTANT;
       }
@@ -480,7 +520,7 @@ namespace micm
 
       std::unique_ptr<ArrheniusRateConstant> rate_ptr = std::make_unique<ArrheniusRateConstant>(parameters);
 
-      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
       return ConfigParseStatus::Success;
     }
@@ -495,17 +535,29 @@ namespace micm
       const std::string A0 = "a0";
       const std::string N = "n";
 
-      // Check required json objects exist
-      for (const auto& key : { REACTANTS, ALKOXY_PRODUCTS, NITRATE_PRODUCTS, X, Y, A0, N })
+      auto status = ValidateSchema(object, { "type", REACTANTS, ALKOXY_PRODUCTS, NITRATE_PRODUCTS, X, Y, A0, N }, {});
+      if (status != ConfigParseStatus::Success)
       {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
+        return status;
       }
 
       auto reactants = ParseReactants(object[REACTANTS]);
       auto alkoxy_products = ParseProducts(object[ALKOXY_PRODUCTS]);
       auto nitrate_products = ParseProducts(object[NITRATE_PRODUCTS]);
 
+      if (reactants.first != ConfigParseStatus::Success)
+      {
+        return reactants.first;
+      }
+      if (alkoxy_products.first != ConfigParseStatus::Success)
+      {
+        return alkoxy_products.first;
+      }
+      if (nitrate_products.first != ConfigParseStatus::Success)
+      {
+        return nitrate_products.first;
+      }
+
       BranchedRateConstantParameters parameters;
       parameters.X_ = object[X].get<double>();
       parameters.Y_ = object[Y].get<double>();
@@ -516,13 +568,13 @@ namespace micm
       parameters.branch_ = BranchedRateConstantParameters::Branch::Alkoxy;
       branched_rate_arr_.push_back(BranchedRateConstant(parameters));
       std::unique_ptr<BranchedRateConstant> rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
-      processes_.push_back(Process(reactants, alkoxy_products, std::move(rate_ptr), gas_phase_));
+      processes_.push_back(Process(reactants.second, alkoxy_products.second, std::move(rate_ptr), gas_phase_));
 
       // Nitrate branch
       parameters.branch_ = BranchedRateConstantParameters::Branch::Nitrate;
       branched_rate_arr_.push_back(BranchedRateConstant(parameters));
       rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
-      processes_.push_back(Process(reactants, nitrate_products, std::move(rate_ptr), gas_phase_));
+      processes_.push_back(Process(reactants.second, nitrate_products.second, std::move(rate_ptr), gas_phase_));
 
       return ConfigParseStatus::Success;
     }
@@ -532,15 +584,23 @@ namespace micm
       const std::string REACTANTS = "reactants";
       const std::string PRODUCTS = "products";
 
-      // Check required json objects exist
-      for (const auto& key : { REACTANTS, PRODUCTS })
+      auto status = ValidateSchema(
+          object, { "type", REACTANTS, PRODUCTS }, { "k0_A", "k0_B", "k0_C", "kinf_A", "kinf_B", "kinf_C", "Fc", "N" });
+      if (status != ConfigParseStatus::Success)
       {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
+        return status;
       }
 
       auto reactants = ParseReactants(object[REACTANTS]);
       auto products = ParseProducts(object[PRODUCTS]);
+      if (reactants.first != ConfigParseStatus::Success)
+      {
+        return reactants.first;
+      }
+      if (products.first != ConfigParseStatus::Success)
+      {
+        return products.first;
+      }
 
       TroeRateConstantParameters parameters;
       if (object.contains("k0_A"))
@@ -580,7 +640,7 @@ namespace micm
 
       std::unique_ptr<TroeRateConstant> rate_ptr = std::make_unique<TroeRateConstant>(parameters);
 
-      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
       return ConfigParseStatus::Success;
     }
@@ -590,15 +650,23 @@ namespace micm
       const std::string REACTANTS = "reactants";
       const std::string PRODUCTS = "products";
 
-      // Check required json objects exist
-      for (const auto& key : { REACTANTS, PRODUCTS })
+      auto status = ValidateSchema(
+          object, { "type", REACTANTS, PRODUCTS }, { "k0_A", "k0_B", "k0_C", "kinf_A", "kinf_B", "kinf_C", "Fc", "N" });
+      if (status != ConfigParseStatus::Success)
       {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
+        return status;
       }
 
       auto reactants = ParseReactants(object[REACTANTS]);
       auto products = ParseProducts(object[PRODUCTS]);
+      if (reactants.first != ConfigParseStatus::Success)
+      {
+        return reactants.first;
+      }
+      if (products.first != ConfigParseStatus::Success)
+      {
+        return products.first;
+      }
 
       TernaryChemicalActivationRateConstantParameters parameters;
       if (object.contains("k0_A"))
@@ -639,7 +707,7 @@ namespace micm
       std::unique_ptr<TernaryChemicalActivationRateConstant> rate_ptr =
           std::make_unique<TernaryChemicalActivationRateConstant>(parameters);
 
-      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
       return ConfigParseStatus::Success;
     }
@@ -649,15 +717,22 @@ namespace micm
       const std::string REACTANTS = "reactants";
       const std::string PRODUCTS = "products";
 
-      // Check required json objects exist
-      for (const auto& key : { REACTANTS, PRODUCTS })
+      auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS }, { "A", "B", "C" });
+      if (status != ConfigParseStatus::Success)
       {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
+        return status;
       }
 
       auto reactants = ParseReactants(object[REACTANTS]);
       auto products = ParseProducts(object[PRODUCTS]);
+      if (reactants.first != ConfigParseStatus::Success)
+      {
+        return reactants.first;
+      }
+      if (products.first != ConfigParseStatus::Success)
+      {
+        return products.first;
+      }
 
       TunnelingRateConstantParameters parameters;
       if (object.contains("A"))
@@ -677,7 +752,7 @@ namespace micm
 
       std::unique_ptr<TunnelingRateConstant> rate_ptr = std::make_unique<TunnelingRateConstant>(parameters);
 
-      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
       return ConfigParseStatus::Success;
     }
@@ -686,18 +761,27 @@ namespace micm
     {
       const std::string SPECIES = "species";
       const std::string MUSICA_NAME = "MUSICA name";
-      for (const auto& key : { SPECIES, MUSICA_NAME })
+
+      auto status = ValidateSchema(object, { "type", SPECIES, MUSICA_NAME }, {});
+      if (status != ConfigParseStatus::Success)
       {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
+        return status;
       }
 
       std::string species = object["species"].get<std::string>();
       json reactants_object{};
       json products_object{};
-      products_object[species] = { { "YIELD", 1.0 } };
+      products_object[species] = { { "yield", 1.0 } };
       auto reactants = ParseReactants(reactants_object);
       auto products = ParseProducts(products_object);
+      if (reactants.first != ConfigParseStatus::Success)
+      {
+        return reactants.first;
+      }
+      if (products.first != ConfigParseStatus::Success)
+      {
+        return products.first;
+      }
 
       std::string name = "EMIS." + object[MUSICA_NAME].get<std::string>();
 
@@ -705,7 +789,7 @@ namespace micm
 
       std::unique_ptr<UserDefinedRateConstant> rate_ptr =
           std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
-      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
       return ConfigParseStatus::Success;
     }
@@ -714,18 +798,27 @@ namespace micm
     {
       const std::string SPECIES = "species";
       const std::string MUSICA_NAME = "MUSICA name";
-      for (const auto& key : { SPECIES, MUSICA_NAME })
+
+      auto status = ValidateSchema(object, { "type", SPECIES, MUSICA_NAME }, {});
+      if (status != ConfigParseStatus::Success)
       {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
+        return status;
       }
 
       std::string species = object["species"].get<std::string>();
       json reactants_object{};
       json products_object{};
-      reactants_object[species] = { {} };
+      reactants_object[species] = { };
       auto reactants = ParseReactants(reactants_object);
       auto products = ParseProducts(products_object);
+      if (reactants.first != ConfigParseStatus::Success)
+      {
+        return reactants.first;
+      }
+      if (products.first != ConfigParseStatus::Success)
+      {
+        return products.first;
+      }
 
       std::string name = "LOSS." + object[MUSICA_NAME].get<std::string>();
 
@@ -733,7 +826,7 @@ namespace micm
 
       std::unique_ptr<UserDefinedRateConstant> rate_ptr =
           std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
-      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
       return ConfigParseStatus::Success;
     }
@@ -744,17 +837,26 @@ namespace micm
       const std::string PRODUCTS = "gas-phase products";
       const std::string MUSICA_NAME = "MUSICA name";
       const std::string PROBABILITY = "reaction probability";
-      for (const auto& key : { REACTANTS, PRODUCTS, MUSICA_NAME })
+
+      auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, { PROBABILITY });
+      if (status != ConfigParseStatus::Success)
       {
-        if (!ValidateJsonWithKey(object, key))
-          return ConfigParseStatus::RequiredKeyNotFound;
+        return status;
       }
 
       std::string species_name = object[REACTANTS].get<std::string>();
       json reactants_object{};
-      reactants_object[species_name] = { {} };
+      reactants_object[species_name] = { };
       auto reactants = ParseReactants(reactants_object);
       auto products = ParseProducts(object[PRODUCTS]);
+      if (reactants.first != ConfigParseStatus::Success)
+      {
+        return reactants.first;
+      }
+      if (products.first != ConfigParseStatus::Success)
+      {
+        return products.first;
+      }
 
       Species reactant_species = Species("");
       for (auto& species : species_arr_)
@@ -776,8 +878,69 @@ namespace micm
       surface_rate_arr_.push_back(SurfaceRateConstant(parameters));
 
       std::unique_ptr<SurfaceRateConstant> rate_ptr = std::make_unique<SurfaceRateConstant>(parameters);
-      processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
+
+      return ConfigParseStatus::Success;
+    }
+
+    /// @brief Search for nonstandard keys. Only nonstandard keys starting with __ are allowed. Others are considered typos
+    /// @param object the object whose keys need to be validated
+    /// @param required_keys The required keys
+    /// @param optional_keys The optional keys
+    /// @return true if only standard keys are found
+    ConfigParseStatus ValidateSchema(
+        const json& object,
+        const std::vector<std::string>& required_keys,
+        const std::vector<std::string>& optional_keys)
+    {
+      // standard keys are:
+      // those in required keys
+      // those in optional keys
+      // starting with __
+      // anything else is reported as an error so that typos are caught, specifically for optional keys
 
+      std::vector<std::string> sorted_object_keys;
+      for (auto& [key, value] : object.items())
+        sorted_object_keys.push_back(key);
+
+      auto sorted_required_keys = required_keys;
+      auto sorted_optional_keys = optional_keys;
+      std::sort(sorted_object_keys.begin(), sorted_object_keys.end());
+      std::sort(sorted_required_keys.begin(), sorted_required_keys.end());
+      std::sort(sorted_optional_keys.begin(), sorted_optional_keys.end());
+
+      // get the difference between the object keys and those required
+      // what's left should be the optional keys and valid comments
+      std::vector<std::string> difference;
+      std::set_difference(
+          sorted_object_keys.begin(),
+          sorted_object_keys.end(),
+          sorted_required_keys.begin(),
+          sorted_required_keys.end(),
+          std::back_inserter(difference));
+
+      // check that the number of keys remaining is exactly equal to the expected number of required keys
+      if (difference.size() != (sorted_object_keys.size() - required_keys.size()))
+      {
+        return ConfigParseStatus::RequiredKeyNotFound;
+      }
+
+      std::vector<std::string> remaining;
+      std::set_difference(
+          difference.begin(),
+          difference.end(),
+          sorted_optional_keys.begin(),
+          sorted_optional_keys.end(),
+          std::back_inserter(remaining));
+
+      // now, anything left must be standard comment starting with __
+      for (auto& key : remaining)
+      {
+        if (!key.starts_with("__"))
+        {
+          return ConfigParseStatus::ContainsNonStandardKey;
+        }
+      }
       return ConfigParseStatus::Success;
     }
   };
diff --git a/test/unit/configure/process/CMakeLists.txt b/test/unit/configure/process/CMakeLists.txt
index 78bcd48eb..ffbdb9239 100644
--- a/test/unit/configure/process/CMakeLists.txt
+++ b/test/unit/configure/process/CMakeLists.txt
@@ -6,10 +6,12 @@ include(test_util)
 ################################################################################
 # Tests
 
+create_standard_test(NAME arrhenius_config SOURCES test_arrhenius_config.cpp)
 create_standard_test(NAME branched_config SOURCES test_branched_config.cpp)
 create_standard_test(NAME emission_config SOURCES test_emission_config.cpp)
 create_standard_test(NAME first_order_loss_config SOURCES test_first_order_loss_config.cpp)
 create_standard_test(NAME photolysis_config SOURCES test_photolysis_config.cpp)
 create_standard_test(NAME surface_config SOURCES test_surface_config.cpp)
 create_standard_test(NAME ternary_chemical_activation_config SOURCES test_ternary_chemical_activation_config.cpp)
+create_standard_test(NAME troe_config SOURCES test_troe_config.cpp)
 create_standard_test(NAME tunneling_config SOURCES test_tunneling_config.cpp)
\ No newline at end of file
diff --git a/test/unit/configure/process/test_arrhenius_config.cpp b/test/unit/configure/process/test_arrhenius_config.cpp
new file mode 100644
index 000000000..37e751988
--- /dev/null
+++ b/test/unit/configure/process/test_arrhenius_config.cpp
@@ -0,0 +1,114 @@
+#include <gtest/gtest.h>
+
+#include <micm/configure/solver_config.hpp>
+
+TEST(ArrheniusConfig, DetectsInvalidConfig)
+{
+  micm::SolverConfig solver_config;
+
+  // Read and parse the configure files
+  micm::ConfigParseStatus status =
+      solver_config.ReadAndParse("./unit_configs/process/arrhenius/missing_reactants");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+  status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/missing_products");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+  status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/mutually_exclusive");
+  EXPECT_EQ(micm::ConfigParseStatus::MutuallyExclusiveOption, status);
+}
+
+TEST(ArrheniusConfig, ParseConfig)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/valid");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+
+  micm::SolverParameters solver_params = solver_config.GetSolverParams();
+
+  auto& process_vector = solver_params.processes_;
+
+  // first reaction
+  {
+    EXPECT_EQ(process_vector[0].reactants_.size(), 3);
+    EXPECT_EQ(process_vector[0].reactants_[0].name_, "foo");
+    EXPECT_EQ(process_vector[0].reactants_[1].name_, "quz");
+    EXPECT_EQ(process_vector[0].reactants_[2].name_, "quz");
+    EXPECT_EQ(process_vector[0].products_.size(), 2);
+    EXPECT_EQ(process_vector[0].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[0].products_[0].second, 1.0);
+    EXPECT_EQ(process_vector[0].products_[1].first.name_, "baz");
+    EXPECT_EQ(process_vector[0].products_[1].second, 3.2);
+    micm::ArrheniusRateConstant* ternary_rate_constant =
+        dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[0].rate_constant_.get());
+    auto& params = ternary_rate_constant->parameters_;
+    EXPECT_EQ(params.A_, 1.0);
+    EXPECT_EQ(params.B_, 0.0);
+    EXPECT_EQ(params.C_, 0.0);
+    EXPECT_EQ(params.D_, 300);
+    EXPECT_EQ(params.E_, 0.0);
+  }
+
+  // second reaction
+  {
+    EXPECT_EQ(process_vector[1].reactants_.size(), 2);
+    EXPECT_EQ(process_vector[1].reactants_[0].name_, "bar");
+    EXPECT_EQ(process_vector[1].reactants_[1].name_, "baz");
+    EXPECT_EQ(process_vector[1].products_.size(), 2);
+    EXPECT_EQ(process_vector[1].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[1].products_[0].second, 0.5);
+    EXPECT_EQ(process_vector[1].products_[1].first.name_, "foo");
+    EXPECT_EQ(process_vector[1].products_[1].second, 1.0);
+    micm::ArrheniusRateConstant* ternary_rate_constant =
+        dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[1].rate_constant_.get());
+    auto& params = ternary_rate_constant->parameters_;
+    EXPECT_EQ(params.A_, 32.1);
+    EXPECT_EQ(params.B_, -2.3);
+    EXPECT_EQ(params.C_, 102.3);
+    EXPECT_EQ(params.D_, 63.4);
+    EXPECT_EQ(params.E_, -1.3);
+  }
+
+  // third reaction
+  {
+    EXPECT_EQ(process_vector[2].reactants_.size(), 2);
+    EXPECT_EQ(process_vector[2].reactants_[0].name_, "bar");
+    EXPECT_EQ(process_vector[2].reactants_[1].name_, "baz");
+    EXPECT_EQ(process_vector[2].products_.size(), 2);
+    EXPECT_EQ(process_vector[2].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[2].products_[0].second, 0.5);
+    EXPECT_EQ(process_vector[2].products_[1].first.name_, "foo");
+    EXPECT_EQ(process_vector[2].products_[1].second, 1.0);
+    micm::ArrheniusRateConstant* ternary_rate_constant =
+        dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[2].rate_constant_.get());
+    auto& params = ternary_rate_constant->parameters_;
+    EXPECT_EQ(params.A_, 32.1);
+    EXPECT_EQ(params.B_, -2.3);
+    EXPECT_EQ(params.C_, -1 * 2e23 / BOLTZMANN_CONSTANT);
+    EXPECT_EQ(params.D_, 63.4);
+    EXPECT_EQ(params.E_, -1.3);
+  }
+}
+
+TEST(ArrheniusConfig, DetectsNonstandardKeys)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/contains_nonstandard_key");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(ArrheniusConfig, DetectsNonstandardProductCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/nonstandard_product_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(ArrheniusConfig, DetectsNonstandardReactantCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/nonstandard_reactant_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
\ No newline at end of file
diff --git a/test/unit/configure/process/test_branched_config.cpp b/test/unit/configure/process/test_branched_config.cpp
index 8e6286803..6b140cb8f 100644
--- a/test/unit/configure/process/test_branched_config.cpp
+++ b/test/unit/configure/process/test_branched_config.cpp
@@ -101,3 +101,30 @@ TEST(BranchedConfig, ParseConfig)
     EXPECT_EQ(params.branch_, micm::BranchedRateConstantParameters::Branch::Nitrate);
   }
 }
+
+TEST(BranchedConfig, DetectsNonstandardKeys)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/branched/contains_nonstandard_key");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(BranchedConfig, DetectsNonstandardProductCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/branched/nonstandard_alkoxy_product_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+
+  status = solver_config.ReadAndParse("./unit_configs/process/branched/nonstandard_nitrate_product_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(BranchedConfig, DetectsNonstandardReactantCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/branched/nonstandard_reactant_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
\ No newline at end of file
diff --git a/test/unit/configure/process/test_emission_config.cpp b/test/unit/configure/process/test_emission_config.cpp
index 73acb6c62..949f41f2f 100644
--- a/test/unit/configure/process/test_emission_config.cpp
+++ b/test/unit/configure/process/test_emission_config.cpp
@@ -47,4 +47,12 @@ TEST(EmissionConfig, ParseConfig)
     EXPECT_EQ(emission_rate_constant->SizeCustomParameters(), 1);
     EXPECT_EQ(emission_rate_constant->CustomParameters()[0], "EMIS.bar");
   }
+}
+
+TEST(EmissionConfig, DetectsNonstandardKeys)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/emission/contains_nonstandard_key");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
 }
\ No newline at end of file
diff --git a/test/unit/configure/process/test_first_order_loss_config.cpp b/test/unit/configure/process/test_first_order_loss_config.cpp
index 925ac1818..823697bc1 100644
--- a/test/unit/configure/process/test_first_order_loss_config.cpp
+++ b/test/unit/configure/process/test_first_order_loss_config.cpp
@@ -45,4 +45,12 @@ TEST(FirstOrderLossConfig, ParseConfig)
     EXPECT_EQ(first_order_loss_rate_constant->SizeCustomParameters(), 1);
     EXPECT_EQ(first_order_loss_rate_constant->CustomParameters()[0], "LOSS.bar");
   }
+}
+
+TEST(FirstOrderLossConfig, DetectsNonstandardKeys)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/first_order_loss/contains_nonstandard_key");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
 }
\ No newline at end of file
diff --git a/test/unit/configure/process/test_photolysis_config.cpp b/test/unit/configure/process/test_photolysis_config.cpp
index ba363e969..1e8831d9f 100644
--- a/test/unit/configure/process/test_photolysis_config.cpp
+++ b/test/unit/configure/process/test_photolysis_config.cpp
@@ -55,4 +55,28 @@ TEST(PhotolysisConfig, ParseConfig)
     EXPECT_EQ(photo_rate_constant->SizeCustomParameters(), 1);
     EXPECT_EQ(photo_rate_constant->CustomParameters()[0], "PHOTO.jbar");
   }
+}
+
+TEST(PhotolysisConfig, DetectsNonstandardKeys)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/photolysis/contains_nonstandard_key");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(PhotolysisConfig, DetectsNonstandardProductCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/photolysis/nonstandard_product_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(PhotolysisConfig, DetectsNonstandardReactantCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/photolysis/nonstandard_reactant_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
 }
\ No newline at end of file
diff --git a/test/unit/configure/process/test_surface_config.cpp b/test/unit/configure/process/test_surface_config.cpp
index 2c14cc1db..f539e004f 100644
--- a/test/unit/configure/process/test_surface_config.cpp
+++ b/test/unit/configure/process/test_surface_config.cpp
@@ -64,3 +64,20 @@ TEST(SurfaceConfig, ParseConfig)
     EXPECT_EQ(surface_rate_constant->mean_free_speed_factor_, 8.0 * GAS_CONSTANT / (M_PI * 0.321));
   }
 }
+
+
+TEST(SurfaceConfig, DetectsNonstandardKeys)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/surface/contains_nonstandard_key");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(SurfaceConfig, DetectsNonstandardProductCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/surface/nonstandard_product_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
\ No newline at end of file
diff --git a/test/unit/configure/process/test_ternary_chemical_activation_config.cpp b/test/unit/configure/process/test_ternary_chemical_activation_config.cpp
index e1918f69b..1d46e2348 100644
--- a/test/unit/configure/process/test_ternary_chemical_activation_config.cpp
+++ b/test/unit/configure/process/test_ternary_chemical_activation_config.cpp
@@ -72,3 +72,27 @@ TEST(TernaryChemicalActivationConfig, ParseConfig)
     EXPECT_EQ(params.N_, 32.1);
   }
 }
+
+TEST(TernaryChemicalActivationConfig, DetectsNonstandardKeys)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/contains_nonstandard_key");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(TernaryChemicalActivationConfig, DetectsNonstandardProductCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/nonstandard_product_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(TernaryChemicalActivationConfig, DetectsNonstandardReactantCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
\ No newline at end of file
diff --git a/test/unit/configure/process/test_troe_config.cpp b/test/unit/configure/process/test_troe_config.cpp
new file mode 100644
index 000000000..dddcb7d89
--- /dev/null
+++ b/test/unit/configure/process/test_troe_config.cpp
@@ -0,0 +1,98 @@
+#include <gtest/gtest.h>
+
+#include <micm/configure/solver_config.hpp>
+
+TEST(TroeConfig, DetectsInvalidConfig)
+{
+  micm::SolverConfig solver_config;
+
+  // Read and parse the configure files
+  micm::ConfigParseStatus status =
+      solver_config.ReadAndParse("./unit_configs/process/troe/missing_reactants");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+  status = solver_config.ReadAndParse("./unit_configs/process/troe/missing_products");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+}
+
+TEST(TroeConfig, ParseConfig)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/troe/valid");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+
+  micm::SolverParameters solver_params = solver_config.GetSolverParams();
+
+  auto& process_vector = solver_params.processes_;
+
+  // first reaction
+  {
+    EXPECT_EQ(process_vector[0].reactants_.size(), 3);
+    EXPECT_EQ(process_vector[0].reactants_[0].name_, "foo");
+    EXPECT_EQ(process_vector[0].reactants_[1].name_, "quz");
+    EXPECT_EQ(process_vector[0].reactants_[2].name_, "quz");
+    EXPECT_EQ(process_vector[0].products_.size(), 2);
+    EXPECT_EQ(process_vector[0].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[0].products_[0].second, 1.0);
+    EXPECT_EQ(process_vector[0].products_[1].first.name_, "baz");
+    EXPECT_EQ(process_vector[0].products_[1].second, 3.2);
+    micm::TroeRateConstant* ternary_rate_constant =
+        dynamic_cast<micm::TroeRateConstant*>(process_vector[0].rate_constant_.get());
+    auto& params = ternary_rate_constant->parameters_;
+    EXPECT_EQ(params.k0_A_, 1.0);
+    EXPECT_EQ(params.k0_B_, 0.0);
+    EXPECT_EQ(params.k0_C_, 0.0);
+    EXPECT_EQ(params.kinf_A_, 1.0);
+    EXPECT_EQ(params.kinf_B_, 0.0);
+    EXPECT_EQ(params.kinf_C_, 0.0);
+    EXPECT_EQ(params.Fc_, 0.6);
+    EXPECT_EQ(params.N_, 1.0);
+  }
+
+  // second reaction
+  {
+    EXPECT_EQ(process_vector[1].reactants_.size(), 2);
+    EXPECT_EQ(process_vector[1].reactants_[0].name_, "bar");
+    EXPECT_EQ(process_vector[1].reactants_[1].name_, "baz");
+    EXPECT_EQ(process_vector[1].products_.size(), 2);
+    EXPECT_EQ(process_vector[1].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[1].products_[0].second, 0.5);
+    EXPECT_EQ(process_vector[1].products_[1].first.name_, "foo");
+    EXPECT_EQ(process_vector[1].products_[1].second, 1.0);
+    micm::TroeRateConstant* ternary_rate_constant =
+        dynamic_cast<micm::TroeRateConstant*>(process_vector[1].rate_constant_.get());
+    auto& params = ternary_rate_constant->parameters_;
+    EXPECT_EQ(params.k0_A_, 32.1);
+    EXPECT_EQ(params.k0_B_, -2.3);
+    EXPECT_EQ(params.k0_C_, 102.3);
+    EXPECT_EQ(params.kinf_A_, 63.4);
+    EXPECT_EQ(params.kinf_B_, -1.3);
+    EXPECT_EQ(params.kinf_C_, 908.5);
+    EXPECT_EQ(params.Fc_, 1.3);
+    EXPECT_EQ(params.N_, 32.1);
+  }
+}
+
+TEST(TroeConfig, DetectsNonstandardKeys)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/troe/contains_nonstandard_key");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(TroeConfig, DetectsNonstandardProductCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/troe/nonstandard_product_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(TroeConfig, DetectsNonstandardReactantCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/troe/nonstandard_reactant_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
\ No newline at end of file
diff --git a/test/unit/configure/process/test_tunneling_config.cpp b/test/unit/configure/process/test_tunneling_config.cpp
index 5ebd3ddab..ca77fdb26 100644
--- a/test/unit/configure/process/test_tunneling_config.cpp
+++ b/test/unit/configure/process/test_tunneling_config.cpp
@@ -61,3 +61,27 @@ TEST(TunnelingConfig, ParseConfig)
     EXPECT_EQ(params.C_, 102.3);
   }
 }
+
+TEST(TunnelingConfig, DetectsNonstandardKeys)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/tunneling/contains_nonstandard_key");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(TunnelingConfig, DetectsNonstandardProductCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/nonstandard_product_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(TunnelingConfig, DetectsNonstandardReactantCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/nonstandard_reactant_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
\ No newline at end of file
diff --git a/test/unit/configure/test_solver_config.cpp b/test/unit/configure/test_solver_config.cpp
index c9e5b7e4d..55c7fe82c 100644
--- a/test/unit/configure/test_solver_config.cpp
+++ b/test/unit/configure/test_solver_config.cpp
@@ -154,130 +154,3 @@ TEST(SolverConfig, GettingSolverParamsThrowsExceptionWithFailedParsing)
   EXPECT_NE(micm::ConfigParseStatus::Success, status);
   EXPECT_ANY_THROW(solverConfig.GetSolverParams());
 }
-
-//
-// Tests for MZ326 configure files
-//
-TEST(SolverConfig, ReadAndParseSystemObjectfromMZ326)
-{
-  micm::SolverConfig solverConfig;
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/MZ326");
-  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
-
-  // Get solver parameters ('System', the collection of 'Process')
-  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
-
-  // Check 'gas_phase' in 'System'
-  EXPECT_EQ(solver_params.system_.gas_phase_.species_.size(), 6);
-
-  // Check 'phases' in 'System'
-  EXPECT_EQ(solver_params.system_.phases_.size(), 0);
-
-  // Check 'name' and molecular_weight from 'properties' in 'Species'
-  std::vector<std::pair<std::string, double>> species_name_and_molecular_weight = {
-    std::make_pair("ALKNIT", 0.133141), std::make_pair("BZOOH", 0.124135), std::make_pair("C6H5OOH", 0.110109),
-    std::make_pair("COF2", 0.0),        std::make_pair("O2", 0.0),         std::make_pair("FUR2O2", 0.0)
-  };
-
-  short idx = 0;
-  for (const auto& s : solver_params.system_.gas_phase_.species_)
-  {
-    EXPECT_EQ(s.name_, species_name_and_molecular_weight[idx].first);
-    EXPECT_EQ(s.properties_.at("molecular weight [kg mol-1]"), species_name_and_molecular_weight[idx].second);
-    idx++;
-  }
-}
-
-TEST(SolverConfig, ReadAndParseProcessObjectsfromMZ326)
-{
-  micm::SolverConfig solverConfig;
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/MZ326");
-  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
-
-  // Get solver parameters ('System', the collection of 'Process')
-  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
-
-  auto& process_vector = solver_params.processes_;
-
-  // Check the number of 'Process' created
-  EXPECT_EQ(process_vector.size(), 5);
-
-  // Check the number of 'reactants' and 'products' in each 'Process'
-  // Check 'yield' value for the first product and the number of 'spieces in 'phase' in each 'Process'
-  int num_reactants_in_each_process[] = { 2, 2, 2, 1, 1 };
-  int num_products_in_each_process[] = { 5, 5, 2, 3, 2 };
-  int num_phase_in_each_process = 6;
-
-  short idx = 0;
-  for (const auto& p : process_vector)
-  {
-    EXPECT_EQ(p.reactants_.size(), num_reactants_in_each_process[idx]);
-    EXPECT_EQ(p.products_.size(), num_products_in_each_process[idx]);
-    EXPECT_EQ(p.phase_.species_.size(), num_phase_in_each_process);
-    idx++;
-  }
-
-  // Check the parameters for 'TroeRateConstant'
-  micm::TroeRateConstant* troe_rate_const = nullptr;
-  double k0_A_param[] = { 5.5e-30, 1.07767 };
-  double k0_B_param[] = { 0.0, -5.6 };
-  double k0_C_param[] = { 0.0, -14000 };
-  double kinf_A_param[] = { 8.3e-13, 1.03323e+17 };
-  double kinf_B_param[] = { 0.0, 0.0 };
-  double kinf_C_param[] = { 0.0, -14000 };
-  double Fc_param[] = { 0.6, 0.6 };
-  double N_param[] = { -2, 1.5 };
-
-  idx = 0;
-  for (short i : { 0, 4 })
-  {
-    troe_rate_const = dynamic_cast<micm::TroeRateConstant*>(process_vector[i].rate_constant_.get());
-
-    EXPECT_TRUE(troe_rate_const != nullptr);
-    EXPECT_EQ(troe_rate_const->parameters_.k0_A_, k0_A_param[idx]);
-    EXPECT_EQ(troe_rate_const->parameters_.k0_B_, k0_B_param[idx]);
-    EXPECT_EQ(troe_rate_const->parameters_.k0_C_, k0_C_param[idx]);
-    EXPECT_EQ(troe_rate_const->parameters_.kinf_A_, kinf_A_param[idx]);
-    EXPECT_EQ(troe_rate_const->parameters_.kinf_B_, kinf_B_param[idx]);
-    EXPECT_EQ(troe_rate_const->parameters_.kinf_C_, kinf_C_param[idx]);
-    EXPECT_EQ(troe_rate_const->parameters_.Fc_, Fc_param[idx]);
-    EXPECT_EQ(troe_rate_const->parameters_.N_, N_param[idx]);
-
-    idx++;
-  }
-
-  // Check the name for 'UserDefinedRateConstant'
-  micm::UserDefinedRateConstant* photolysis_rate_const = nullptr;
-  std::string photolysis_name = "PHOTO.jterpnit";
-
-  for (short i : { 3 })
-  {
-    photolysis_rate_const = dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[i].rate_constant_.get());
-
-    EXPECT_TRUE(photolysis_rate_const != nullptr);
-    EXPECT_EQ(photolysis_rate_const->CustomParameters()[0], photolysis_name);
-  }
-
-  // Check the parameters for 'ArrheniusRateConstant'
-  micm::ArrheniusRateConstant* arrhenius_rate_const = nullptr;
-  double A_param[] = { 2.0e-12, 3.8e-12 };
-  double B_param[] = { 0.0, 0.0 };
-  double C_param[] = { -1 * -6.90325e-21 / 1.3806505e-23, -1 * -2.7613e-21 / 1.3806505e-23 };
-  double D_param[] = { 300.0, 300.0 };
-  double E_param[] = { 0.0, 0.0 };
-
-  idx = 0;
-  for (short i : { 1, 2 })
-  {
-    arrhenius_rate_const = dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[i].rate_constant_.get());
-
-    EXPECT_TRUE(arrhenius_rate_const != nullptr);
-    EXPECT_DOUBLE_EQ(arrhenius_rate_const->parameters_.A_, A_param[idx]);
-    EXPECT_DOUBLE_EQ(arrhenius_rate_const->parameters_.B_, B_param[idx]);
-    EXPECT_DOUBLE_EQ(arrhenius_rate_const->parameters_.C_, C_param[idx]);
-    EXPECT_DOUBLE_EQ(arrhenius_rate_const->parameters_.D_, D_param[idx]);
-    EXPECT_DOUBLE_EQ(arrhenius_rate_const->parameters_.E_, E_param[idx]);
-
-    idx++;
-  }
-}
diff --git a/test/unit/unit_configs/MZ326/reactions.json b/test/unit/unit_configs/MZ326/reactions.json
deleted file mode 100644
index 1903b5e94..000000000
--- a/test/unit/unit_configs/MZ326/reactions.json
+++ /dev/null
@@ -1,87 +0,0 @@
-{
-    "comments": [ "This mechanism may contain refactored reactions based on custom",
-                  "...." 
-                ],
-    "camp-data": [
-      {
-        "name": "MZ326_TS1.3_20230106",
-        "type": "MECHANISM",
-        "reactions": [
-          {
-            "type": "TROE",
-            "k0_A": 5.5e-30,
-            "kinf_A": 8.3e-13,
-            "N": -2,
-            "reactants": {
-              "C2H2": { },
-              "OH": { }
-            },
-            "products": {
-              "GLYOXAL": { "yield": 0.65 },
-              "OH": { "yield": 0.65 },
-              "HCOOH": { "yield": 0.35 },
-              "HO2": { "yield": 0.35 },
-              "CO": { "yield": 0.35 }
-            }
-          },
-          {
-            "type": "ARRHENIUS",
-            "A": 2.0e-12,
-            "Ea": -6.90325e-21,
-            "reactants": {
-              "CH3O2": { },
-              "TERPO2": { }
-            },
-            "products": {
-              "TERPROD1": { },
-              "CH2O": { "yield": 0.95 },
-              "CH3OH": { "yield": 0.25 },
-              "HO2": { },
-              "CH3COCH3": { "yield": 0.025 }
-            }
-          },
-          {
-            "type": "ARRHENIUS",
-            "A": 3.8e-12,
-            "Ea": -2.7613e-21,
-            "reactants": {
-              "C3H7OOH": { },
-              "OH": { }
-            },
-            "products": {
-              "H2O": { },
-              "C3H7O2": { }
-            }
-          },
-          {
-            "type": "PHOTOLYSIS",
-            "MUSICA name": "jterpnit",
-            "reactants": {
-              "TERPNIT": { }
-            },
-            "products": {
-              "TERPROD1": { },
-              "NO2": { },
-              "HO2": { }
-            }
-          },
-          {
-            "type": "TROE",
-            "k0_A": 1.07767,
-            "k0_B": -5.6,
-            "k0_C": -14000,
-            "kinf_A": 1.03323e+17,
-            "kinf_C": -14000,
-            "N": 1.5,
-            "reactants": {
-              "PAN": { }
-            },
-            "products": {
-              "CH3CO3": { },
-              "NO2": { }
-            }
-          }
-        ]
-    }]
-}
-
diff --git a/test/unit/unit_configs/MZ326/species.json b/test/unit/unit_configs/MZ326/species.json
deleted file mode 100644
index 42572e3db..000000000
--- a/test/unit/unit_configs/MZ326/species.json
+++ /dev/null
@@ -1,40 +0,0 @@
-{
-    "camp-data": [
-      {
-        "name": "ALKNIT",
-        "type": "CHEM_SPEC",
-        "description": "standard alkyl nitrate from BIGALK+OH chemistry",
-        "molecular weight [kg mol-1]": 0.133141
-      },
-      {
-        "name": "BZOOH",
-        "type": "CHEM_SPEC",
-        "description": "hydroperoxide from toluene oxidation",
-        "molecular weight [kg mol-1]": 0.124135
-      },
-      {
-        "name": "C6H5OOH",
-        "type": "CHEM_SPEC",
-        "description": "phenyl hydroperoxide",
-        "molecular weight [kg mol-1]": 0.110109
-      },
-      {
-        "name": "COF2",
-        "type": "CHEM_SPEC",
-        "description": "",
-        "molecular weight [kg mol-1]": 0.0
-      },
-      {
-        "name": "O2",
-        "type": "CHEM_SPEC",
-        "description": "",
-        "molecular weight [kg mol-1]": 0.0
-      },
-      {
-        "name": "FUR2O2",
-        "type": "CHEM_SPEC",
-        "description": "peroxy radical from furanone",
-        "molecular weight [kg mol-1]": 0.0
-      }
-    ]
-}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/arrhenius/contains_nonstandard_key/reactions.json b/test/unit/unit_configs/process/arrhenius/contains_nonstandard_key/reactions.json
new file mode 100644
index 000000000..b2dc8ab3a
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/contains_nonstandard_key/reactions.json
@@ -0,0 +1,24 @@
+{
+  "camp-data": [
+    {
+      "name": "nonstandard key",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "ARRHENIUS",
+          "reactants": {
+            "bar" : { },
+            "baz" : { }
+          },
+          "products": {
+            "bar": { "yield": 0.5 },
+            "foo": { }
+          },
+          "a": 32.1,
+          "b": -2.3,
+          "c": 102.3
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/arrhenius/contains_nonstandard_key/species.json b/test/unit/unit_configs/process/arrhenius/contains_nonstandard_key/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/contains_nonstandard_key/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/MZ326/tolerance.json b/test/unit/unit_configs/process/arrhenius/contains_nonstandard_key/tolerance.json
similarity index 100%
rename from test/unit/unit_configs/MZ326/tolerance.json
rename to test/unit/unit_configs/process/arrhenius/contains_nonstandard_key/tolerance.json
diff --git a/test/unit/unit_configs/process/arrhenius/missing_products/reactions.json b/test/unit/unit_configs/process/arrhenius/missing_products/reactions.json
new file mode 100644
index 000000000..a9fa047ce
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/missing_products/reactions.json
@@ -0,0 +1,17 @@
+{
+  "camp-data": [
+    {
+      "name": "missing products",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "ARRHENIUS",
+          "reactants": {
+            "bar": { },
+            "baz": { "qty": 2 }
+          }
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/arrhenius/missing_products/species.json b/test/unit/unit_configs/process/arrhenius/missing_products/species.json
new file mode 100644
index 000000000..ec9fb504f
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/missing_products/species.json
@@ -0,0 +1,16 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/arrhenius/missing_products/tolerance.json b/test/unit/unit_configs/process/arrhenius/missing_products/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/missing_products/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/arrhenius/missing_reactants/reactions.json b/test/unit/unit_configs/process/arrhenius/missing_reactants/reactions.json
new file mode 100644
index 000000000..cabdecc24
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/missing_reactants/reactions.json
@@ -0,0 +1,17 @@
+{
+  "camp-data": [
+    {
+      "name": "missing reactants",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "ARRHENIUS",
+          "products": {
+            "bar": { "yield": 1.0 },
+            "baz": { "yield": 3.2 }
+          }
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/arrhenius/missing_reactants/species.json b/test/unit/unit_configs/process/arrhenius/missing_reactants/species.json
new file mode 100644
index 000000000..ec9fb504f
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/missing_reactants/species.json
@@ -0,0 +1,16 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/arrhenius/missing_reactants/tolerance.json b/test/unit/unit_configs/process/arrhenius/missing_reactants/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/missing_reactants/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/arrhenius/mutually_exclusive/reactions.json b/test/unit/unit_configs/process/arrhenius/mutually_exclusive/reactions.json
new file mode 100644
index 000000000..a4ff750f1
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/mutually_exclusive/reactions.json
@@ -0,0 +1,27 @@
+{
+  "camp-data": [
+    {
+      "name": "Mutually exclusive arrhenius reaction config",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "ARRHENIUS",
+          "reactants": {
+            "bar" : { },
+            "baz" : { }
+          },
+          "products": {
+            "bar": { "yield": 0.5 },
+            "foo": { }
+          },
+          "A": 32.1,
+          "B": -2.3,
+          "C": 102.3,
+          "D": 63.4,
+          "E": -1.3,
+          "Ea": 102.3
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/arrhenius/mutually_exclusive/species.json b/test/unit/unit_configs/process/arrhenius/mutually_exclusive/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/mutually_exclusive/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/arrhenius/mutually_exclusive/tolerance.json b/test/unit/unit_configs/process/arrhenius/mutually_exclusive/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/mutually_exclusive/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/arrhenius/nonstandard_product_coef/reactions.json b/test/unit/unit_configs/process/arrhenius/nonstandard_product_coef/reactions.json
new file mode 100644
index 000000000..c112f766c
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/nonstandard_product_coef/reactions.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "invaild yield name",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "__my comment": {},
+          "type": "ARRHENIUS",
+          "reactants": {
+            "foo" : { }
+          },
+          "products": {
+            "bar": { "Yield": 1.0 }
+          }
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/arrhenius/nonstandard_product_coef/species.json b/test/unit/unit_configs/process/arrhenius/nonstandard_product_coef/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/nonstandard_product_coef/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/arrhenius/nonstandard_product_coef/tolerance.json b/test/unit/unit_configs/process/arrhenius/nonstandard_product_coef/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/nonstandard_product_coef/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/arrhenius/nonstandard_reactant_coef/reactions.json b/test/unit/unit_configs/process/arrhenius/nonstandard_reactant_coef/reactions.json
new file mode 100644
index 000000000..1c6306e53
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/nonstandard_reactant_coef/reactions.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "invalid quantity name",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "__my comment": {},
+          "type": "ARRHENIUS",
+          "reactants": {
+            "foo" : { "Qty": 2.0 }
+          },
+          "products": {
+            "bar": {}
+          }
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/arrhenius/nonstandard_reactant_coef/species.json b/test/unit/unit_configs/process/arrhenius/nonstandard_reactant_coef/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/nonstandard_reactant_coef/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/arrhenius/nonstandard_reactant_coef/tolerance.json b/test/unit/unit_configs/process/arrhenius/nonstandard_reactant_coef/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/nonstandard_reactant_coef/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/arrhenius/valid/reactions.json b/test/unit/unit_configs/process/arrhenius/valid/reactions.json
new file mode 100644
index 000000000..36427b9ad
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/valid/reactions.json
@@ -0,0 +1,54 @@
+{
+  "camp-data": [
+    {
+      "name": "Valid ternary chemical activation reactions",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "__my comment": {},
+          "type": "ARRHENIUS",
+          "reactants": {
+            "foo" : { },
+            "quz" : { "qty" :2 }
+          },
+          "products": {
+            "bar": { "yield": 1.0 },
+            "baz": { "yield": 3.2 }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "reactants": {
+            "bar" : { },
+            "baz" : { }
+          },
+          "products": {
+            "bar": { "yield": 0.5 },
+            "foo": { }
+          },
+          "A": 32.1,
+          "B": -2.3,
+          "C": 102.3,
+          "D": 63.4,
+          "E": -1.3
+        },
+        {
+          "type": "ARRHENIUS",
+          "reactants": {
+            "bar" : { },
+            "baz" : { }
+          },
+          "products": {
+            "bar": { "yield": 0.5 },
+            "foo": { }
+          },
+          "A": 32.1,
+          "B": -2.3,
+          "Ea": 2e23,
+          "D": 63.4,
+          "E": -1.3
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/arrhenius/valid/species.json b/test/unit/unit_configs/process/arrhenius/valid/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/valid/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/arrhenius/valid/tolerance.json b/test/unit/unit_configs/process/arrhenius/valid/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/valid/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/branched/contains_nonstandard_key/reactions.json b/test/unit/unit_configs/process/branched/contains_nonstandard_key/reactions.json
new file mode 100644
index 000000000..e6acc9101
--- /dev/null
+++ b/test/unit/unit_configs/process/branched/contains_nonstandard_key/reactions.json
@@ -0,0 +1,52 @@
+{
+  "camp-data": [
+    {
+      "name": "nonstandard key",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "BRANCHED",
+          "reactants": {
+            "foo" : { },
+            "quz" : { "qty" :2 }
+          },
+          "alkoxy products": {
+            "bar": { "yield": 1.0 },
+            "baz": { "yield": 3.2 }
+          },
+          "Alkoxy products": {
+            "baz": { }
+          },
+          "nitrate products": {
+            "quz": { "yield": 1.0 }
+          },
+          "Y" : 42.3,
+          "X" : 12.3,
+          "a0" : 1.0e-5,
+          "n" : 3
+        },
+        {
+          "type": "WENNBERG_NO_RO2",
+          "reactants": {
+            "bar" : { },
+            "baz" : { }
+          },
+          "alkoxy products": {
+            "baz": { }
+          },
+          "Alkoxy products": {
+            "baz": { }
+          },
+          "nitrate products": {
+            "bar": { "yield": 0.5 },
+            "foo": { }
+          },
+          "Y" : 2.3e8,
+          "X" : 0.32,
+          "a0" : 0.423,
+          "n" : 6
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/branched/contains_nonstandard_key/species.json b/test/unit/unit_configs/process/branched/contains_nonstandard_key/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/branched/contains_nonstandard_key/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/branched/contains_nonstandard_key/tolerance.json b/test/unit/unit_configs/process/branched/contains_nonstandard_key/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/branched/contains_nonstandard_key/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/branched/missing_reactants/reactions.json b/test/unit/unit_configs/process/branched/missing_reactants/reactions.json
index 13d0cb5fc..1d66529f7 100644
--- a/test/unit/unit_configs/process/branched/missing_reactants/reactions.json
+++ b/test/unit/unit_configs/process/branched/missing_reactants/reactions.json
@@ -1,16 +1,16 @@
 {
   "camp-data": [
     {
-      "name": "Branched missing reactants",
+      "name": "missing reacants",
       "type": "MECHANISM",
       "reactions": [
         {
           "type": "WENNBERG_NO_RO2",
           "alkoxy products": {
-            "foo": { }
+            "foo": { "yield" : 2.3  }
           },
           "nitrate products": {
-            "baz": { "yield" : 2.3 }
+            "baz": {}
           }
         }
       ]
diff --git a/test/unit/unit_configs/process/branched/nonstandard_alkoxy_product_coef/reactions.json b/test/unit/unit_configs/process/branched/nonstandard_alkoxy_product_coef/reactions.json
new file mode 100644
index 000000000..7b2fe41d2
--- /dev/null
+++ b/test/unit/unit_configs/process/branched/nonstandard_alkoxy_product_coef/reactions.json
@@ -0,0 +1,27 @@
+{
+  "camp-data": [
+    {
+      "name": "capital Y",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "__my comment": {},
+          "type": "BRANCHED",
+          "reactants": {
+            "foo" : { }
+          },
+          "alkoxy products": {
+            "bar": { "Yield": 1.0 }
+          },
+          "nitrate products": {
+            "quz": { "yield": 1.0 }
+          },
+          "Y" : 42.3,
+          "X" : 12.3,
+          "a0" : 1.0e-5,
+          "n" : 3
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/branched/nonstandard_alkoxy_product_coef/species.json b/test/unit/unit_configs/process/branched/nonstandard_alkoxy_product_coef/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/branched/nonstandard_alkoxy_product_coef/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/branched/nonstandard_alkoxy_product_coef/tolerance.json b/test/unit/unit_configs/process/branched/nonstandard_alkoxy_product_coef/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/branched/nonstandard_alkoxy_product_coef/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/branched/nonstandard_nitrate_product_coef/reactions.json b/test/unit/unit_configs/process/branched/nonstandard_nitrate_product_coef/reactions.json
new file mode 100644
index 000000000..9068be3ba
--- /dev/null
+++ b/test/unit/unit_configs/process/branched/nonstandard_nitrate_product_coef/reactions.json
@@ -0,0 +1,27 @@
+{
+  "camp-data": [
+    {
+      "name": "capital Y",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "__my comment": {},
+          "type": "BRANCHED",
+          "reactants": {
+            "foo" : { }
+          },
+          "alkoxy products": {
+            "bar": {}
+          },
+          "nitrate products": {
+            "quz": { "Yield": 1.0 }
+          },
+          "Y" : 42.3,
+          "X" : 12.3,
+          "a0" : 1.0e-5,
+          "n" : 3
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/branched/nonstandard_nitrate_product_coef/species.json b/test/unit/unit_configs/process/branched/nonstandard_nitrate_product_coef/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/branched/nonstandard_nitrate_product_coef/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/branched/nonstandard_nitrate_product_coef/tolerance.json b/test/unit/unit_configs/process/branched/nonstandard_nitrate_product_coef/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/branched/nonstandard_nitrate_product_coef/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/branched/nonstandard_reactant_coef/reactions.json b/test/unit/unit_configs/process/branched/nonstandard_reactant_coef/reactions.json
new file mode 100644
index 000000000..daf53fd00
--- /dev/null
+++ b/test/unit/unit_configs/process/branched/nonstandard_reactant_coef/reactions.json
@@ -0,0 +1,27 @@
+{
+  "camp-data": [
+    {
+      "name": "captial Q",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "__my comment": {},
+          "type": "BRANCHED",
+          "reactants": {
+            "foo" : { "Qty": 2.0 }
+          },
+          "alkoxy products": {
+            "bar": {}
+          },
+          "nitrate products": {
+            "quz": { "yield": 1.0 }
+          },
+          "Y" : 42.3,
+          "X" : 12.3,
+          "a0" : 1.0e-5,
+          "n" : 3
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/branched/nonstandard_reactant_coef/species.json b/test/unit/unit_configs/process/branched/nonstandard_reactant_coef/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/branched/nonstandard_reactant_coef/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/branched/nonstandard_reactant_coef/tolerance.json b/test/unit/unit_configs/process/branched/nonstandard_reactant_coef/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/branched/nonstandard_reactant_coef/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/branched/valid/reactions.json b/test/unit/unit_configs/process/branched/valid/reactions.json
index d5b968113..630c4fed6 100644
--- a/test/unit/unit_configs/process/branched/valid/reactions.json
+++ b/test/unit/unit_configs/process/branched/valid/reactions.json
@@ -5,6 +5,7 @@
       "type": "MECHANISM",
       "reactions": [
         {
+          "__my comment": {},
           "type": "BRANCHED",
           "reactants": {
             "foo" : { },
diff --git a/test/unit/unit_configs/process/emission/contains_nonstandard_key/reactions.json b/test/unit/unit_configs/process/emission/contains_nonstandard_key/reactions.json
new file mode 100644
index 000000000..f034307ed
--- /dev/null
+++ b/test/unit/unit_configs/process/emission/contains_nonstandard_key/reactions.json
@@ -0,0 +1,16 @@
+{
+  "camp-data": [
+    {
+      "name": "nonstandard emission",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "EMISSION",
+          "species": "foo",
+          "MUSICA name": "foo",
+          "mUSICA name": "foo"
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/emission/contains_nonstandard_key/species.json b/test/unit/unit_configs/process/emission/contains_nonstandard_key/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/emission/contains_nonstandard_key/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/emission/contains_nonstandard_key/tolerance.json b/test/unit/unit_configs/process/emission/contains_nonstandard_key/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/emission/contains_nonstandard_key/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/emission/valid/reactions.json b/test/unit/unit_configs/process/emission/valid/reactions.json
index e212d34f8..6320878e5 100644
--- a/test/unit/unit_configs/process/emission/valid/reactions.json
+++ b/test/unit/unit_configs/process/emission/valid/reactions.json
@@ -5,6 +5,7 @@
       "type": "MECHANISM",
       "reactions": [
         {
+          "__my comment": {},
           "type": "EMISSION",
           "species": "foo",
           "MUSICA name": "foo"
diff --git a/test/unit/unit_configs/process/first_order_loss/contains_nonstandard_key/reactions.json b/test/unit/unit_configs/process/first_order_loss/contains_nonstandard_key/reactions.json
new file mode 100644
index 000000000..d99e1adc5
--- /dev/null
+++ b/test/unit/unit_configs/process/first_order_loss/contains_nonstandard_key/reactions.json
@@ -0,0 +1,16 @@
+{
+  "camp-data": [
+    {
+      "name": "nonstandard keys",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "FIRST_ORDER_LOSS",
+          "species": "foo",
+          "MUSICA name": "foo",
+          "mUSICA name": "foo"
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/first_order_loss/contains_nonstandard_key/species.json b/test/unit/unit_configs/process/first_order_loss/contains_nonstandard_key/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/first_order_loss/contains_nonstandard_key/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/first_order_loss/contains_nonstandard_key/tolerance.json b/test/unit/unit_configs/process/first_order_loss/contains_nonstandard_key/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/first_order_loss/contains_nonstandard_key/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/first_order_loss/valid/reactions.json b/test/unit/unit_configs/process/first_order_loss/valid/reactions.json
index 067a30a65..7d5cb807d 100644
--- a/test/unit/unit_configs/process/first_order_loss/valid/reactions.json
+++ b/test/unit/unit_configs/process/first_order_loss/valid/reactions.json
@@ -5,6 +5,7 @@
       "type": "MECHANISM",
       "reactions": [
         {
+          "__my comment": {},
           "type": "FIRST_ORDER_LOSS",
           "species": "foo",
           "MUSICA name": "foo"
diff --git a/test/unit/unit_configs/process/photolysis/contains_nonstandard_key/reactions.json b/test/unit/unit_configs/process/photolysis/contains_nonstandard_key/reactions.json
new file mode 100644
index 000000000..bbe34676a
--- /dev/null
+++ b/test/unit/unit_configs/process/photolysis/contains_nonstandard_key/reactions.json
@@ -0,0 +1,33 @@
+{
+  "camp-data": [
+    {
+      "name": "nonstandard key",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "PHOTOLYSIS",
+          "reactants": {
+            "foo" : { }
+          },
+          "products": {
+            "bar": { "yield": 1.0 },
+            "baz": { "yield": 3.2 }
+          },
+          "MUSICA name": "jfoo"
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "reactants": {
+            "bar" : { }
+          },
+          "products": {
+            "bar": { "yield": 0.5 },
+            "foo": { }
+          },
+          "MUSICA name": "jbar",
+          "mUSICA name": "jbar"
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/photolysis/contains_nonstandard_key/species.json b/test/unit/unit_configs/process/photolysis/contains_nonstandard_key/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/photolysis/contains_nonstandard_key/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/photolysis/contains_nonstandard_key/tolerance.json b/test/unit/unit_configs/process/photolysis/contains_nonstandard_key/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/photolysis/contains_nonstandard_key/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/photolysis/nonstandard_product_coef/reactions.json b/test/unit/unit_configs/process/photolysis/nonstandard_product_coef/reactions.json
new file mode 100644
index 000000000..8a2a72f17
--- /dev/null
+++ b/test/unit/unit_configs/process/photolysis/nonstandard_product_coef/reactions.json
@@ -0,0 +1,21 @@
+{
+  "camp-data": [
+    {
+      "name": "capital Y",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "__my comment": {},
+          "type": "PHOTOLYSIS",
+          "reactants": {
+            "foo" : { }
+          },
+          "products": {
+            "bar": { "Yield": 1.0 }
+          },
+          "MUSICA name": "jfoo"
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/photolysis/nonstandard_product_coef/species.json b/test/unit/unit_configs/process/photolysis/nonstandard_product_coef/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/photolysis/nonstandard_product_coef/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/photolysis/nonstandard_product_coef/tolerance.json b/test/unit/unit_configs/process/photolysis/nonstandard_product_coef/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/photolysis/nonstandard_product_coef/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/photolysis/nonstandard_reactant_coef/reactions.json b/test/unit/unit_configs/process/photolysis/nonstandard_reactant_coef/reactions.json
new file mode 100644
index 000000000..2e38a7d6d
--- /dev/null
+++ b/test/unit/unit_configs/process/photolysis/nonstandard_reactant_coef/reactions.json
@@ -0,0 +1,21 @@
+{
+  "camp-data": [
+    {
+      "name": "captial Q",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "__my comment": {},
+          "type": "PHOTOLYSIS",
+          "reactants": {
+            "foo" : { "Qty": 2.0 }
+          },
+          "products": {
+            "bar": {}
+          },
+          "MUSICA name": "jfoo"
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/photolysis/nonstandard_reactant_coef/species.json b/test/unit/unit_configs/process/photolysis/nonstandard_reactant_coef/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/photolysis/nonstandard_reactant_coef/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/photolysis/nonstandard_reactant_coef/tolerance.json b/test/unit/unit_configs/process/photolysis/nonstandard_reactant_coef/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/photolysis/nonstandard_reactant_coef/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/surface/contains_nonstandard_key/reactions.json b/test/unit/unit_configs/process/surface/contains_nonstandard_key/reactions.json
new file mode 100644
index 000000000..3e9640450
--- /dev/null
+++ b/test/unit/unit_configs/process/surface/contains_nonstandard_key/reactions.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "nonstandard key",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "SURFACE",
+          "gas-phase reactant": "foo",
+          "gas-phase products": {
+            "bar": { "yield": 1.0 },
+            "baz": { "yield": 3.2 }
+          },
+          "MUSICA name": "kfoo",
+          "Reaction probability": 0.5
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/surface/contains_nonstandard_key/species.json b/test/unit/unit_configs/process/surface/contains_nonstandard_key/species.json
new file mode 100644
index 000000000..50a902e10
--- /dev/null
+++ b/test/unit/unit_configs/process/surface/contains_nonstandard_key/species.json
@@ -0,0 +1,24 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC",
+      "molecular weight [kg mol-1]" : 0.123,
+      "diffusion coefficient [m2 s-1]" : 2.3e-4
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC",
+      "molecular weight [kg mol-1]" : 0.321,
+      "diffusion coefficient [m2 s-1]" : 0.4e-5
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/surface/contains_nonstandard_key/tolerance.json b/test/unit/unit_configs/process/surface/contains_nonstandard_key/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/surface/contains_nonstandard_key/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/surface/nonstandard_product_coef/reactions.json b/test/unit/unit_configs/process/surface/nonstandard_product_coef/reactions.json
new file mode 100644
index 000000000..8181819b1
--- /dev/null
+++ b/test/unit/unit_configs/process/surface/nonstandard_product_coef/reactions.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "Invalid yield name",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "SURFACE",
+          "gas-phase reactant": "bar",
+          "gas-phase products": {
+            "bar": { "Yield": 0.5 },
+            "foo": { }
+          },
+          "reaction probability": 0.5,
+          "MUSICA name": "kbar"
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/surface/nonstandard_product_coef/species.json b/test/unit/unit_configs/process/surface/nonstandard_product_coef/species.json
new file mode 100644
index 000000000..50a902e10
--- /dev/null
+++ b/test/unit/unit_configs/process/surface/nonstandard_product_coef/species.json
@@ -0,0 +1,24 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC",
+      "molecular weight [kg mol-1]" : 0.123,
+      "diffusion coefficient [m2 s-1]" : 2.3e-4
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC",
+      "molecular weight [kg mol-1]" : 0.321,
+      "diffusion coefficient [m2 s-1]" : 0.4e-5
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/surface/nonstandard_product_coef/tolerance.json b/test/unit/unit_configs/process/surface/nonstandard_product_coef/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/surface/nonstandard_product_coef/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/surface/valid/reactions.json b/test/unit/unit_configs/process/surface/valid/reactions.json
index a86b68473..bb0348806 100644
--- a/test/unit/unit_configs/process/surface/valid/reactions.json
+++ b/test/unit/unit_configs/process/surface/valid/reactions.json
@@ -5,6 +5,7 @@
       "type": "MECHANISM",
       "reactions": [
         {
+          "__my comment": "asdf",
           "type": "SURFACE",
           "gas-phase reactant": "foo",
           "gas-phase products": {
diff --git a/test/unit/unit_configs/process/ternary_chemical_activation/contains_nonstandard_key/reactions.json b/test/unit/unit_configs/process/ternary_chemical_activation/contains_nonstandard_key/reactions.json
new file mode 100644
index 000000000..b8a849484
--- /dev/null
+++ b/test/unit/unit_configs/process/ternary_chemical_activation/contains_nonstandard_key/reactions.json
@@ -0,0 +1,40 @@
+{
+  "camp-data": [
+    {
+      "name": "nonstandard key",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "TERNARY_CHEMICAL_ACTIVATION",
+          "reactants": {
+            "foo" : { },
+            "quz" : { "qty" :2 }
+          },
+          "products": {
+            "bar": { "yield": 1.0 },
+            "baz": { "yield": 3.2 }
+          }
+        },
+        {
+          "type": "TERNARY_CHEMICAL_ACTIVATION",
+          "reactants": {
+            "bar" : { },
+            "baz" : { }
+          },
+          "products": {
+            "bar": { "yield": 0.5 },
+            "foo": { }
+          },
+          "K0_A": 32.1,
+          "K0_B": -2.3,
+          "K0_C": 102.3,
+          "Kinf_A": 63.4,
+          "Kinf_B": -1.3,
+          "Kinf_C": 908.5,
+          "fc": 1.3,
+          "n": 32.1
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/ternary_chemical_activation/contains_nonstandard_key/species.json b/test/unit/unit_configs/process/ternary_chemical_activation/contains_nonstandard_key/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/ternary_chemical_activation/contains_nonstandard_key/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/ternary_chemical_activation/contains_nonstandard_key/tolerance.json b/test/unit/unit_configs/process/ternary_chemical_activation/contains_nonstandard_key/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/ternary_chemical_activation/contains_nonstandard_key/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_product_coef/reactions.json b/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_product_coef/reactions.json
new file mode 100644
index 000000000..19087ad3b
--- /dev/null
+++ b/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_product_coef/reactions.json
@@ -0,0 +1,22 @@
+{
+  "camp-data": [
+    {
+      "name": "Invalid yield name",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "__my comment": {},
+          "type": "TERNARY_CHEMICAL_ACTIVATION",
+          "reactants": {
+            "foo" : { },
+            "quz" : { "qty" :2 }
+          },
+          "products": {
+            "bar": { "yield": 1.0 },
+            "baz": { "Yield": 3.2 }
+          }
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_product_coef/species.json b/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_product_coef/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_product_coef/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_product_coef/tolerance.json b/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_product_coef/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_product_coef/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef/reactions.json b/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef/reactions.json
new file mode 100644
index 000000000..a91f41db4
--- /dev/null
+++ b/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef/reactions.json
@@ -0,0 +1,22 @@
+{
+  "camp-data": [
+    {
+      "name": "Invalid quantity name",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "__my comment": {},
+          "type": "TERNARY_CHEMICAL_ACTIVATION",
+          "reactants": {
+            "foo" : { },
+            "quz" : { "Qty" :2 }
+          },
+          "products": {
+            "bar": { "yield": 1.0 },
+            "baz": { "yield": 3.2 }
+          }
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef/species.json b/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef/tolerance.json b/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/ternary_chemical_activation/valid/reactions.json b/test/unit/unit_configs/process/ternary_chemical_activation/valid/reactions.json
index cf6baab08..b8eea9f91 100644
--- a/test/unit/unit_configs/process/ternary_chemical_activation/valid/reactions.json
+++ b/test/unit/unit_configs/process/ternary_chemical_activation/valid/reactions.json
@@ -5,6 +5,7 @@
       "type": "MECHANISM",
       "reactions": [
         {
+          "__my comment": {},
           "type": "TERNARY_CHEMICAL_ACTIVATION",
           "reactants": {
             "foo" : { },
diff --git a/test/unit/unit_configs/process/troe/contains_nonstandard_key/reactions.json b/test/unit/unit_configs/process/troe/contains_nonstandard_key/reactions.json
new file mode 100644
index 000000000..274b53c4a
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/contains_nonstandard_key/reactions.json
@@ -0,0 +1,40 @@
+{
+  "camp-data": [
+    {
+      "name": "nonstandard key",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "TROE",
+          "reactants": {
+            "foo" : { },
+            "quz" : { "qty" :2 }
+          },
+          "products": {
+            "bar": { "yield": 1.0 },
+            "baz": { "yield": 3.2 }
+          }
+        },
+        {
+          "type": "TROE",
+          "reactants": {
+            "bar" : { },
+            "baz" : { }
+          },
+          "products": {
+            "bar": { "yield": 0.5 },
+            "foo": { }
+          },
+          "K0_A": 32.1,
+          "K0_B": -2.3,
+          "K0_C": 102.3,
+          "Kinf_A": 63.4,
+          "Kinf_B": -1.3,
+          "Kinf_C": 908.5,
+          "fc": 1.3,
+          "n": 32.1
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/troe/contains_nonstandard_key/species.json b/test/unit/unit_configs/process/troe/contains_nonstandard_key/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/contains_nonstandard_key/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/troe/contains_nonstandard_key/tolerance.json b/test/unit/unit_configs/process/troe/contains_nonstandard_key/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/contains_nonstandard_key/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/troe/missing_products/reactions.json b/test/unit/unit_configs/process/troe/missing_products/reactions.json
new file mode 100644
index 000000000..a3271a043
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/missing_products/reactions.json
@@ -0,0 +1,17 @@
+{
+  "camp-data": [
+    {
+      "name": "missing products",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "TROE",
+          "reactants": {
+            "bar": { },
+            "baz": { "qty": 2 }
+          }
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/troe/missing_products/species.json b/test/unit/unit_configs/process/troe/missing_products/species.json
new file mode 100644
index 000000000..ec9fb504f
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/missing_products/species.json
@@ -0,0 +1,16 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/troe/missing_products/tolerance.json b/test/unit/unit_configs/process/troe/missing_products/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/missing_products/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/troe/missing_reactants/reactions.json b/test/unit/unit_configs/process/troe/missing_reactants/reactions.json
new file mode 100644
index 000000000..025c19927
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/missing_reactants/reactions.json
@@ -0,0 +1,17 @@
+{
+  "camp-data": [
+    {
+      "name": "missing reactants",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "TROE",
+          "products": {
+            "bar": { "yield": 1.0 },
+            "baz": { "yield": 3.2 }
+          }
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/troe/missing_reactants/species.json b/test/unit/unit_configs/process/troe/missing_reactants/species.json
new file mode 100644
index 000000000..ec9fb504f
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/missing_reactants/species.json
@@ -0,0 +1,16 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/troe/missing_reactants/tolerance.json b/test/unit/unit_configs/process/troe/missing_reactants/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/missing_reactants/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/troe/nonstandard_product_coef/reactions.json b/test/unit/unit_configs/process/troe/nonstandard_product_coef/reactions.json
new file mode 100644
index 000000000..4db3245bb
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/nonstandard_product_coef/reactions.json
@@ -0,0 +1,22 @@
+{
+  "camp-data": [
+    {
+      "name": "Product with invalid yield name",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "__my comment": {},
+          "type": "TROE",
+          "reactants": {
+            "foo" : { },
+            "quz" : { "qty" :2 }
+          },
+          "products": {
+            "bar": { "yield": 1.0 },
+            "baz": { "Yield": 3.2 }
+          }
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/troe/nonstandard_product_coef/species.json b/test/unit/unit_configs/process/troe/nonstandard_product_coef/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/nonstandard_product_coef/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/troe/nonstandard_product_coef/tolerance.json b/test/unit/unit_configs/process/troe/nonstandard_product_coef/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/nonstandard_product_coef/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/troe/nonstandard_reactant_coef/reactions.json b/test/unit/unit_configs/process/troe/nonstandard_reactant_coef/reactions.json
new file mode 100644
index 000000000..67c25c79c
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/nonstandard_reactant_coef/reactions.json
@@ -0,0 +1,22 @@
+{
+  "camp-data": [
+    {
+      "name": "Reactant with invalid quantity name",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "__my comment": {},
+          "type": "TROE",
+          "reactants": {
+            "foo" : { },
+            "quz" : { "Qty" :2 }
+          },
+          "products": {
+            "bar": { "yield": 1.0 },
+            "baz": { "yield": 3.2 }
+          }
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/troe/nonstandard_reactant_coef/species.json b/test/unit/unit_configs/process/troe/nonstandard_reactant_coef/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/nonstandard_reactant_coef/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/troe/nonstandard_reactant_coef/tolerance.json b/test/unit/unit_configs/process/troe/nonstandard_reactant_coef/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/nonstandard_reactant_coef/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/troe/valid/reactions.json b/test/unit/unit_configs/process/troe/valid/reactions.json
new file mode 100644
index 000000000..73ca1a80a
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/valid/reactions.json
@@ -0,0 +1,41 @@
+{
+  "camp-data": [
+    {
+      "name": "Valid troe chemical activation reactions",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "__my comment": {},
+          "type": "TROE",
+          "reactants": {
+            "foo" : { },
+            "quz" : { "qty" :2 }
+          },
+          "products": {
+            "bar": { "yield": 1.0 },
+            "baz": { "yield": 3.2 }
+          }
+        },
+        {
+          "type": "TROE",
+          "reactants": {
+            "bar" : { },
+            "baz" : { }
+          },
+          "products": {
+            "bar": { "yield": 0.5 },
+            "foo": { }
+          },
+          "k0_A": 32.1,
+          "k0_B": -2.3,
+          "k0_C": 102.3,
+          "kinf_A": 63.4,
+          "kinf_B": -1.3,
+          "kinf_C": 908.5,
+          "Fc": 1.3,
+          "N": 32.1
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/troe/valid/species.json b/test/unit/unit_configs/process/troe/valid/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/valid/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/troe/valid/tolerance.json b/test/unit/unit_configs/process/troe/valid/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/valid/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/tunneling/contains_nonstandard_key/reactions.json b/test/unit/unit_configs/process/tunneling/contains_nonstandard_key/reactions.json
new file mode 100644
index 000000000..066d1a7a8
--- /dev/null
+++ b/test/unit/unit_configs/process/tunneling/contains_nonstandard_key/reactions.json
@@ -0,0 +1,22 @@
+{
+  "camp-data": [
+    {
+      "name": "nonstandard key",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "TUNNELING",
+          "reactants": {
+            "foo" : { },
+            "quz" : { "qty" :2 }
+          },
+          "products": {
+            "bar": { "yield": 1.0 },
+            "baz": { "yield": 3.2 }
+          },
+          "a": 0
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/tunneling/contains_nonstandard_key/species.json b/test/unit/unit_configs/process/tunneling/contains_nonstandard_key/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/tunneling/contains_nonstandard_key/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/tunneling/contains_nonstandard_key/tolerance.json b/test/unit/unit_configs/process/tunneling/contains_nonstandard_key/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/tunneling/contains_nonstandard_key/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/tunneling/nonstandard_product_coef/reactions.json b/test/unit/unit_configs/process/tunneling/nonstandard_product_coef/reactions.json
new file mode 100644
index 000000000..7840c4bf9
--- /dev/null
+++ b/test/unit/unit_configs/process/tunneling/nonstandard_product_coef/reactions.json
@@ -0,0 +1,22 @@
+{
+  "camp-data": [
+    {
+      "name": "Invalid yield name",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "__my comment": {},
+          "type": "TUNNELING",
+          "reactants": {
+            "foo" : { },
+            "quz" : { "qty" :2 }
+          },
+          "products": {
+            "bar": { "yield": 1.0 },
+            "baz": { "Yield": 3.2 }
+          }
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/tunneling/nonstandard_product_coef/species.json b/test/unit/unit_configs/process/tunneling/nonstandard_product_coef/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/tunneling/nonstandard_product_coef/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/tunneling/nonstandard_product_coef/tolerance.json b/test/unit/unit_configs/process/tunneling/nonstandard_product_coef/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/tunneling/nonstandard_product_coef/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/tunneling/nonstandard_reactant_coef/reactions.json b/test/unit/unit_configs/process/tunneling/nonstandard_reactant_coef/reactions.json
new file mode 100644
index 000000000..7c6a7d605
--- /dev/null
+++ b/test/unit/unit_configs/process/tunneling/nonstandard_reactant_coef/reactions.json
@@ -0,0 +1,22 @@
+{
+  "camp-data": [
+    {
+      "name": "Invalid yield name",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "__my comment": {},
+          "type": "TUNNELING",
+          "reactants": {
+            "foo" : { },
+            "quz" : { "Qty" :2 }
+          },
+          "products": {
+            "bar": { "yield": 1.0 },
+            "baz": { "yield": 3.2 }
+          }
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/tunneling/nonstandard_reactant_coef/species.json b/test/unit/unit_configs/process/tunneling/nonstandard_reactant_coef/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/tunneling/nonstandard_reactant_coef/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/tunneling/nonstandard_reactant_coef/tolerance.json b/test/unit/unit_configs/process/tunneling/nonstandard_reactant_coef/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/tunneling/nonstandard_reactant_coef/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/tunneling/valid/reactions.json b/test/unit/unit_configs/process/tunneling/valid/reactions.json
index 970e84cae..ee0507762 100644
--- a/test/unit/unit_configs/process/tunneling/valid/reactions.json
+++ b/test/unit/unit_configs/process/tunneling/valid/reactions.json
@@ -5,6 +5,7 @@
       "type": "MECHANISM",
       "reactions": [
         {
+          "__my comment": {},
           "type": "TUNNELING",
           "reactants": {
             "foo" : { },

From 292f9a1a657a05c3c2361f82e4277544b5a88252 Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Wed, 25 Oct 2023 15:23:03 -0700
Subject: [PATCH 172/318] Auto-format code changes (#328)

Auto-format code using Clang-Format

Co-authored-by: GitHub Actions <actions@github.com>
---
 include/micm/configure/solver_config.hpp      | 20 ++++++++++++-------
 .../process/test_arrhenius_config.cpp         |  3 +--
 .../process/test_branched_config.cpp          |  3 ++-
 .../process/test_first_order_loss_config.cpp  |  3 ++-
 .../configure/process/test_surface_config.cpp |  1 -
 ...est_ternary_chemical_activation_config.cpp |  9 ++++++---
 .../configure/process/test_troe_config.cpp    |  3 +--
 7 files changed, 25 insertions(+), 17 deletions(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index b4df2a88c..15f547eca 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -334,7 +334,10 @@ namespace micm
       // required keys
       const std::string NAME = "name";
 
-      auto status = ValidateSchema(object, { NAME, "type" }, { "tracer type", "absolute tolerance", "diffusion coefficient [m2 s-1]", "molecular weight [kg mol-1]" });
+      auto status = ValidateSchema(
+          object,
+          { NAME, "type" },
+          { "tracer type", "absolute tolerance", "diffusion coefficient [m2 s-1]", "molecular weight [kg mol-1]" });
       if (status != ConfigParseStatus::Success)
       {
         return status;
@@ -387,7 +390,8 @@ namespace micm
       {
         std::size_t qty = 1;
         auto new_status = ValidateSchema(value, {}, { "qty" });
-        if (new_status != ConfigParseStatus::Success) {
+        if (new_status != ConfigParseStatus::Success)
+        {
           status = new_status;
         }
         if (value.contains(QTY))
@@ -401,7 +405,7 @@ namespace micm
     std::pair<ConfigParseStatus, std::vector<std::pair<Species, double>>> ParseProducts(const json& object)
     {
       const std::string YIELD = "yield";
-        
+
       ConfigParseStatus status = ConfigParseStatus::Success;
 
       constexpr double DEFAULT_YEILD = 1.0;
@@ -409,7 +413,8 @@ namespace micm
       for (auto& [key, value] : object.items())
       {
         auto new_status = ValidateSchema(value, {}, { "yield" });
-        if (new_status != ConfigParseStatus::Success) {
+        if (new_status != ConfigParseStatus::Success)
+        {
           status = new_status;
         }
         if (value.contains(YIELD))
@@ -465,7 +470,8 @@ namespace micm
       const std::string REACTANTS = "reactants";
       const std::string PRODUCTS = "products";
 
-      auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS }, { "A", "B", "C", "D", "E", "Ea", "MUSICA name" });
+      auto status =
+          ValidateSchema(object, { "type", REACTANTS, PRODUCTS }, { "A", "B", "C", "D", "E", "Ea", "MUSICA name" });
       if (status != ConfigParseStatus::Success)
       {
         return status;
@@ -808,7 +814,7 @@ namespace micm
       std::string species = object["species"].get<std::string>();
       json reactants_object{};
       json products_object{};
-      reactants_object[species] = { };
+      reactants_object[species] = {};
       auto reactants = ParseReactants(reactants_object);
       auto products = ParseProducts(products_object);
       if (reactants.first != ConfigParseStatus::Success)
@@ -846,7 +852,7 @@ namespace micm
 
       std::string species_name = object[REACTANTS].get<std::string>();
       json reactants_object{};
-      reactants_object[species_name] = { };
+      reactants_object[species_name] = {};
       auto reactants = ParseReactants(reactants_object);
       auto products = ParseProducts(object[PRODUCTS]);
       if (reactants.first != ConfigParseStatus::Success)
diff --git a/test/unit/configure/process/test_arrhenius_config.cpp b/test/unit/configure/process/test_arrhenius_config.cpp
index 37e751988..d2ab313eb 100644
--- a/test/unit/configure/process/test_arrhenius_config.cpp
+++ b/test/unit/configure/process/test_arrhenius_config.cpp
@@ -7,8 +7,7 @@ TEST(ArrheniusConfig, DetectsInvalidConfig)
   micm::SolverConfig solver_config;
 
   // Read and parse the configure files
-  micm::ConfigParseStatus status =
-      solver_config.ReadAndParse("./unit_configs/process/arrhenius/missing_reactants");
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/missing_reactants");
   EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
   status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/missing_products");
   EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
diff --git a/test/unit/configure/process/test_branched_config.cpp b/test/unit/configure/process/test_branched_config.cpp
index 6b140cb8f..0e6618167 100644
--- a/test/unit/configure/process/test_branched_config.cpp
+++ b/test/unit/configure/process/test_branched_config.cpp
@@ -114,7 +114,8 @@ TEST(BranchedConfig, DetectsNonstandardProductCoefficient)
 {
   micm::SolverConfig solver_config;
 
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/branched/nonstandard_alkoxy_product_coef");
+  micm::ConfigParseStatus status =
+      solver_config.ReadAndParse("./unit_configs/process/branched/nonstandard_alkoxy_product_coef");
   EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
 
   status = solver_config.ReadAndParse("./unit_configs/process/branched/nonstandard_nitrate_product_coef");
diff --git a/test/unit/configure/process/test_first_order_loss_config.cpp b/test/unit/configure/process/test_first_order_loss_config.cpp
index 823697bc1..0046ea7a0 100644
--- a/test/unit/configure/process/test_first_order_loss_config.cpp
+++ b/test/unit/configure/process/test_first_order_loss_config.cpp
@@ -51,6 +51,7 @@ TEST(FirstOrderLossConfig, DetectsNonstandardKeys)
 {
   micm::SolverConfig solver_config;
 
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/first_order_loss/contains_nonstandard_key");
+  micm::ConfigParseStatus status =
+      solver_config.ReadAndParse("./unit_configs/process/first_order_loss/contains_nonstandard_key");
   EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
 }
\ No newline at end of file
diff --git a/test/unit/configure/process/test_surface_config.cpp b/test/unit/configure/process/test_surface_config.cpp
index f539e004f..e77c4cefa 100644
--- a/test/unit/configure/process/test_surface_config.cpp
+++ b/test/unit/configure/process/test_surface_config.cpp
@@ -65,7 +65,6 @@ TEST(SurfaceConfig, ParseConfig)
   }
 }
 
-
 TEST(SurfaceConfig, DetectsNonstandardKeys)
 {
   micm::SolverConfig solver_config;
diff --git a/test/unit/configure/process/test_ternary_chemical_activation_config.cpp b/test/unit/configure/process/test_ternary_chemical_activation_config.cpp
index 1d46e2348..d4a416a16 100644
--- a/test/unit/configure/process/test_ternary_chemical_activation_config.cpp
+++ b/test/unit/configure/process/test_ternary_chemical_activation_config.cpp
@@ -77,7 +77,8 @@ TEST(TernaryChemicalActivationConfig, DetectsNonstandardKeys)
 {
   micm::SolverConfig solver_config;
 
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/contains_nonstandard_key");
+  micm::ConfigParseStatus status =
+      solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/contains_nonstandard_key");
   EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
 }
 
@@ -85,7 +86,8 @@ TEST(TernaryChemicalActivationConfig, DetectsNonstandardProductCoefficient)
 {
   micm::SolverConfig solver_config;
 
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/nonstandard_product_coef");
+  micm::ConfigParseStatus status =
+      solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/nonstandard_product_coef");
   EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
 }
 
@@ -93,6 +95,7 @@ TEST(TernaryChemicalActivationConfig, DetectsNonstandardReactantCoefficient)
 {
   micm::SolverConfig solver_config;
 
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef");
+  micm::ConfigParseStatus status =
+      solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef");
   EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
 }
\ No newline at end of file
diff --git a/test/unit/configure/process/test_troe_config.cpp b/test/unit/configure/process/test_troe_config.cpp
index dddcb7d89..f7631359e 100644
--- a/test/unit/configure/process/test_troe_config.cpp
+++ b/test/unit/configure/process/test_troe_config.cpp
@@ -7,8 +7,7 @@ TEST(TroeConfig, DetectsInvalidConfig)
   micm::SolverConfig solver_config;
 
   // Read and parse the configure files
-  micm::ConfigParseStatus status =
-      solver_config.ReadAndParse("./unit_configs/process/troe/missing_reactants");
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/troe/missing_reactants");
   EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
   status = solver_config.ReadAndParse("./unit_configs/process/troe/missing_products");
   EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);

From 219f87c8f4c740f8bf3796a200403c600b769baf Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Wed, 25 Oct 2023 18:05:28 -0600
Subject: [PATCH 173/318] Start with CAMP JSON.

---
 test/surface_rxn/configs/test_surface.json | 80 ++++++++++++++++++++++
 test/surface_rxn/test_surface_rxn.cpp      |  7 +-
 2 files changed, 86 insertions(+), 1 deletion(-)
 create mode 100644 test/surface_rxn/configs/test_surface.json

diff --git a/test/surface_rxn/configs/test_surface.json b/test/surface_rxn/configs/test_surface.json
new file mode 100644
index 000000000..6610d4f07
--- /dev/null
+++ b/test/surface_rxn/configs/test_surface.json
@@ -0,0 +1,80 @@
+{
+  "camp-data" : [
+    {
+      "type" : "RELATIVE_TOLERANCE",
+      "value" : 1.0e-15
+    },
+    {
+      "name" : "foo",
+      "type" : "CHEM_SPEC",
+      "diffusion coeff [m2 s-1]" : 0.95E-05,
+      "molecular weight [kg mol-1]" : 0.04607,
+      "absolute tolerance" : 1.0e-20
+    },
+    {
+      "name" : "bar",
+      "type" : "CHEM_SPEC"
+    },
+    {
+      "name" : "baz",
+      "type" : "CHEM_SPEC"
+    },
+    {
+      "name" : "aerosol stuff",
+      "type" : "CHEM_SPEC",
+      "phase" : "AEROSOL",
+      "molecular weight [kg mol-1]" : 0.5,
+      "density [kg m-3]" : 1000.0,
+      "absolute tolerance" : 1.0e-20
+    },
+    {
+      "name" : "more aerosol stuff",
+      "type" : "CHEM_SPEC",
+      "phase" : "AEROSOL",
+      "molecular weight [kg mol-1]" : 0.2,
+      "density [kg m-3]" : 1000.0,
+      "absolute tolerance" : 1.0e-20
+    },
+    {
+      "name" : "surface reacting phase",
+      "type" : "AERO_PHASE",
+      "species" : ["aerosol stuff", "more aerosol stuff"]
+    },
+    {
+      "name" : "not surface reacting phase",
+      "type" : "AERO_PHASE",
+      "species": ["aerosol stuff"]
+    },
+    {
+      "type" : "AERO_REP_SINGLE_PARTICLE",
+      "name" : "my aero rep 1",
+      "maximum computational particles" : 1
+    },
+    {
+      "type" : "AERO_REP_SINGLE_PARTICLE",
+      "name" : "my aero rep 2",
+      "maximum computational particles" : 1
+    },
+    {
+      "type" : "AERO_REP_SINGLE_PARTICLE",
+      "name" : "my aero rep 3",
+      "maximum computational particles" : 1
+    },
+    {
+      "name" : "surface mechanism",
+      "type" : "MECHANISM",
+      "reactions" : [
+        {
+        "type" : "SURFACE",
+        "gas-phase reactant" : "foo",
+          "reaction probability" : 2.0e-2,
+          "gas-phase products" : {
+            "bar" : { },
+            "baz" : { "yield" : 0.4 }
+          },
+        "aerosol phase" : "surface reacting phase"
+        }
+      ]
+    }
+  ]
+}
diff --git a/test/surface_rxn/test_surface_rxn.cpp b/test/surface_rxn/test_surface_rxn.cpp
index bc82ccf17..99200294a 100644
--- a/test/surface_rxn/test_surface_rxn.cpp
+++ b/test/surface_rxn/test_surface_rxn.cpp
@@ -1,11 +1,16 @@
 #include <micm/configure/solver_config.hpp>
-#include <micm/solver/rosenbrock.hpp>
+#include <micm/system/system.hpp>
+#include <micm/solver/state.hpp>
 #include <micm/system/species.hpp>
+#include <micm/process/surface_rate_constant.hpp>
+#include <micm/solver/rosenbrock.hpp>
 
+// based on CAMP/test/unit_rxn_data/test_rxn_surface.F90
 
 int main(const int argc, const char* argv[])
 {
   micm::SolverConfig solver_config;
 
+
   return 0;
 }

From dd08b82e15b79d8142502d5688527e4a4307014b Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 10:40:03 -0600
Subject: [PATCH 174/318] Added CAMP config.json with camp-files list.

---
 test/unit/unit_configs/robertson/config.json | 1 +
 1 file changed, 1 insertion(+)
 create mode 100644 test/unit/unit_configs/robertson/config.json

diff --git a/test/unit/unit_configs/robertson/config.json b/test/unit/unit_configs/robertson/config.json
new file mode 100644
index 000000000..61165b00d
--- /dev/null
+++ b/test/unit/unit_configs/robertson/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json"]}

From b8c501ff47822b6fd44ed951a9d459e45bba468f Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 10:49:56 -0600
Subject: [PATCH 175/318] Allow for 2 or more config files in camp-list.

---
 include/micm/configure/solver_config.hpp                      | 4 ++--
 test/unit/unit_configs/CAMP/camp_invalid/config.json          | 2 +-
 .../process/arrhenius/contains_nonstandard_key/config.json    | 2 +-
 3 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 15f547eca..4bb06d3f3 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -148,9 +148,9 @@ namespace micm
         {
           camp_files.push_back(element.get<std::string>());
         }
-        if (camp_files.size() != 2)
+        if (camp_files.size() < 2)
         {
-          std::string err_msg = "CAMP file list should contain two files [species.json, mechanism.json]";
+          std::string err_msg = "CAMP file list should contain at least two files [species.json, mechanism.json]";
           std::cerr << err_msg << std::endl;
           return ConfigParseStatus::InvalidCAMPFileCount;
         }
diff --git a/test/unit/unit_configs/CAMP/camp_invalid/config.json b/test/unit/unit_configs/CAMP/camp_invalid/config.json
index d8250971c..201b3ff4d 100644
--- a/test/unit/unit_configs/CAMP/camp_invalid/config.json
+++ b/test/unit/unit_configs/CAMP/camp_invalid/config.json
@@ -1 +1 @@
-{"camp-files": ["camp_species.json", "camp_mechanism.json", "other.json"]}
+{"camp-files": ["other.json"]}
diff --git a/test/unit/unit_configs/process/arrhenius/contains_nonstandard_key/config.json b/test/unit/unit_configs/process/arrhenius/contains_nonstandard_key/config.json
index 61165b00d..38307636f 100644
--- a/test/unit/unit_configs/process/arrhenius/contains_nonstandard_key/config.json
+++ b/test/unit/unit_configs/process/arrhenius/contains_nonstandard_key/config.json
@@ -1 +1 @@
-{"camp-files": ["species.json", "reactions.json"]}
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}

From 68535a2f1c3bdfa7e1ee15afca1e91fbb30d8219 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 11:04:32 -0600
Subject: [PATCH 176/318] Changed camp_files to be a vector of
 filesystem::path.

---
 include/micm/configure/camp_config.hpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 23b5c985f..77da4adee 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -128,7 +128,7 @@ namespace micm
         std::filesystem::path config_dir = config_file.parent_path();
 
         // The CAMP file list
-        std::vector<std::string> camp_files;
+        std::vector<std::filesystem::path> camp_files;
 
         // Load the CAMP file list JSON
         json camp_data = json::parse(std::ifstream(config_file));

From 2cf772c901dffabe16f5ef1bbb783b4864440182 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 12:05:00 -0600
Subject: [PATCH 177/318] Added config.json to arrhenius subdirs.

---
 .../unit_configs/process/arrhenius/missing_products/config.json  | 1 +
 .../unit_configs/process/arrhenius/missing_reactants/config.json | 1 +
 .../process/arrhenius/mutually_exclusive/config.json             | 1 +
 .../process/arrhenius/nonstandard_product_coef/config.json       | 1 +
 .../process/arrhenius/nonstandard_reactant_coef/config.json      | 1 +
 test/unit/unit_configs/process/arrhenius/valid/config.json       | 1 +
 6 files changed, 6 insertions(+)
 create mode 100644 test/unit/unit_configs/process/arrhenius/missing_products/config.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/missing_reactants/config.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/mutually_exclusive/config.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/nonstandard_product_coef/config.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/nonstandard_reactant_coef/config.json
 create mode 100644 test/unit/unit_configs/process/arrhenius/valid/config.json

diff --git a/test/unit/unit_configs/process/arrhenius/missing_products/config.json b/test/unit/unit_configs/process/arrhenius/missing_products/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/missing_products/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/arrhenius/missing_reactants/config.json b/test/unit/unit_configs/process/arrhenius/missing_reactants/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/missing_reactants/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/arrhenius/mutually_exclusive/config.json b/test/unit/unit_configs/process/arrhenius/mutually_exclusive/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/mutually_exclusive/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/arrhenius/nonstandard_product_coef/config.json b/test/unit/unit_configs/process/arrhenius/nonstandard_product_coef/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/nonstandard_product_coef/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/arrhenius/nonstandard_reactant_coef/config.json b/test/unit/unit_configs/process/arrhenius/nonstandard_reactant_coef/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/nonstandard_reactant_coef/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/arrhenius/valid/config.json b/test/unit/unit_configs/process/arrhenius/valid/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/arrhenius/valid/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}

From a548ae9ee0ddc630acef598c105e8d2862502fab Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 12:16:17 -0600
Subject: [PATCH 178/318] Adding config.json files.

---
 .../process/branched/contains_nonstandard_key/config.json        | 1 +
 .../process/branched/missing_alkoxy_products/config.json         | 1 +
 .../process/branched/missing_nitrate_products/config.json        | 1 +
 .../unit_configs/process/branched/missing_reactants/config.json  | 1 +
 .../process/branched/nonstandard_alkoxy_product_coef/config.json | 1 +
 .../branched/nonstandard_nitrate_product_coef/config.json        | 1 +
 .../process/branched/nonstandard_reactant_coef/config.json       | 1 +
 test/unit/unit_configs/process/branched/valid/config.json        | 1 +
 8 files changed, 8 insertions(+)
 create mode 100644 test/unit/unit_configs/process/branched/contains_nonstandard_key/config.json
 create mode 100644 test/unit/unit_configs/process/branched/missing_alkoxy_products/config.json
 create mode 100644 test/unit/unit_configs/process/branched/missing_nitrate_products/config.json
 create mode 100644 test/unit/unit_configs/process/branched/missing_reactants/config.json
 create mode 100644 test/unit/unit_configs/process/branched/nonstandard_alkoxy_product_coef/config.json
 create mode 100644 test/unit/unit_configs/process/branched/nonstandard_nitrate_product_coef/config.json
 create mode 100644 test/unit/unit_configs/process/branched/nonstandard_reactant_coef/config.json
 create mode 100644 test/unit/unit_configs/process/branched/valid/config.json

diff --git a/test/unit/unit_configs/process/branched/contains_nonstandard_key/config.json b/test/unit/unit_configs/process/branched/contains_nonstandard_key/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/branched/contains_nonstandard_key/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/branched/missing_alkoxy_products/config.json b/test/unit/unit_configs/process/branched/missing_alkoxy_products/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/branched/missing_alkoxy_products/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/branched/missing_nitrate_products/config.json b/test/unit/unit_configs/process/branched/missing_nitrate_products/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/branched/missing_nitrate_products/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/branched/missing_reactants/config.json b/test/unit/unit_configs/process/branched/missing_reactants/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/branched/missing_reactants/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/branched/nonstandard_alkoxy_product_coef/config.json b/test/unit/unit_configs/process/branched/nonstandard_alkoxy_product_coef/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/branched/nonstandard_alkoxy_product_coef/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/branched/nonstandard_nitrate_product_coef/config.json b/test/unit/unit_configs/process/branched/nonstandard_nitrate_product_coef/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/branched/nonstandard_nitrate_product_coef/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/branched/nonstandard_reactant_coef/config.json b/test/unit/unit_configs/process/branched/nonstandard_reactant_coef/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/branched/nonstandard_reactant_coef/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/branched/valid/config.json b/test/unit/unit_configs/process/branched/valid/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/branched/valid/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}

From 5e91227c6cbd737fe83458202425a0e993daf9ad Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 12:26:51 -0600
Subject: [PATCH 179/318] Adding config.json files to unit configs.

---
 .../process/emission/contains_nonstandard_key/config.json        | 1 +
 .../process/emission/missing_MUSICA_name/config.json             | 1 +
 .../unit_configs/process/emission/missing_products/config.json   | 1 +
 test/unit/unit_configs/process/emission/valid/config.json        | 1 +
 .../first_order_loss/contains_nonstandard_key/config.json        | 1 +
 .../process/first_order_loss/missing_MUSICA_name/config.json     | 1 +
 .../process/first_order_loss/missing_reactants/config.json       | 1 +
 .../unit/unit_configs/process/first_order_loss/valid/config.json | 1 +
 .../process/photolysis/contains_nonstandard_key/config.json      | 1 +
 .../process/photolysis/missing_MUSICA_name/config.json           | 1 +
 .../unit_configs/process/photolysis/missing_products/config.json | 1 +
 .../process/photolysis/missing_reactants/config.json             | 1 +
 .../process/photolysis/nonstandard_product_coef/config.json      | 1 +
 .../process/photolysis/nonstandard_reactant_coef/config.json     | 1 +
 test/unit/unit_configs/process/photolysis/valid/config.json      | 1 +
 .../process/surface/contains_nonstandard_key/config.json         | 1 +
 .../unit_configs/process/surface/missing_MUSICA_name/config.json | 1 +
 .../unit_configs/process/surface/missing_products/config.json    | 1 +
 .../unit_configs/process/surface/missing_reactants/config.json   | 1 +
 .../process/surface/nonstandard_product_coef/config.json         | 1 +
 test/unit/unit_configs/process/surface/valid/config.json         | 1 +
 .../contains_nonstandard_key/config.json                         | 1 +
 .../ternary_chemical_activation/missing_products/config.json     | 1 +
 .../ternary_chemical_activation/missing_reactants/config.json    | 1 +
 .../nonstandard_product_coef/config.json                         | 1 +
 .../nonstandard_reactant_coef/config.json                        | 1 +
 .../process/ternary_chemical_activation/valid/config.json        | 1 +
 .../process/troe/contains_nonstandard_key/config.json            | 1 +
 test/unit/unit_configs/process/troe/missing_products/config.json | 1 +
 .../unit/unit_configs/process/troe/missing_reactants/config.json | 1 +
 .../process/troe/nonstandard_product_coef/config.json            | 1 +
 .../process/troe/nonstandard_reactant_coef/config.json           | 1 +
 test/unit/unit_configs/process/troe/valid/config.json            | 1 +
 .../process/tunneling/contains_nonstandard_key/config.json       | 1 +
 .../unit_configs/process/tunneling/missing_products/config.json  | 1 +
 .../unit_configs/process/tunneling/missing_reactants/config.json | 1 +
 .../process/tunneling/nonstandard_product_coef/config.json       | 1 +
 .../process/tunneling/nonstandard_reactant_coef/config.json      | 1 +
 test/unit/unit_configs/process/tunneling/valid/config.json       | 1 +
 39 files changed, 39 insertions(+)
 create mode 100644 test/unit/unit_configs/process/emission/contains_nonstandard_key/config.json
 create mode 100644 test/unit/unit_configs/process/emission/missing_MUSICA_name/config.json
 create mode 100644 test/unit/unit_configs/process/emission/missing_products/config.json
 create mode 100644 test/unit/unit_configs/process/emission/valid/config.json
 create mode 100644 test/unit/unit_configs/process/first_order_loss/contains_nonstandard_key/config.json
 create mode 100644 test/unit/unit_configs/process/first_order_loss/missing_MUSICA_name/config.json
 create mode 100644 test/unit/unit_configs/process/first_order_loss/missing_reactants/config.json
 create mode 100644 test/unit/unit_configs/process/first_order_loss/valid/config.json
 create mode 100644 test/unit/unit_configs/process/photolysis/contains_nonstandard_key/config.json
 create mode 100644 test/unit/unit_configs/process/photolysis/missing_MUSICA_name/config.json
 create mode 100644 test/unit/unit_configs/process/photolysis/missing_products/config.json
 create mode 100644 test/unit/unit_configs/process/photolysis/missing_reactants/config.json
 create mode 100644 test/unit/unit_configs/process/photolysis/nonstandard_product_coef/config.json
 create mode 100644 test/unit/unit_configs/process/photolysis/nonstandard_reactant_coef/config.json
 create mode 100644 test/unit/unit_configs/process/photolysis/valid/config.json
 create mode 100644 test/unit/unit_configs/process/surface/contains_nonstandard_key/config.json
 create mode 100644 test/unit/unit_configs/process/surface/missing_MUSICA_name/config.json
 create mode 100644 test/unit/unit_configs/process/surface/missing_products/config.json
 create mode 100644 test/unit/unit_configs/process/surface/missing_reactants/config.json
 create mode 100644 test/unit/unit_configs/process/surface/nonstandard_product_coef/config.json
 create mode 100644 test/unit/unit_configs/process/surface/valid/config.json
 create mode 100644 test/unit/unit_configs/process/ternary_chemical_activation/contains_nonstandard_key/config.json
 create mode 100644 test/unit/unit_configs/process/ternary_chemical_activation/missing_products/config.json
 create mode 100644 test/unit/unit_configs/process/ternary_chemical_activation/missing_reactants/config.json
 create mode 100644 test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_product_coef/config.json
 create mode 100644 test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef/config.json
 create mode 100644 test/unit/unit_configs/process/ternary_chemical_activation/valid/config.json
 create mode 100644 test/unit/unit_configs/process/troe/contains_nonstandard_key/config.json
 create mode 100644 test/unit/unit_configs/process/troe/missing_products/config.json
 create mode 100644 test/unit/unit_configs/process/troe/missing_reactants/config.json
 create mode 100644 test/unit/unit_configs/process/troe/nonstandard_product_coef/config.json
 create mode 100644 test/unit/unit_configs/process/troe/nonstandard_reactant_coef/config.json
 create mode 100644 test/unit/unit_configs/process/troe/valid/config.json
 create mode 100644 test/unit/unit_configs/process/tunneling/contains_nonstandard_key/config.json
 create mode 100644 test/unit/unit_configs/process/tunneling/missing_products/config.json
 create mode 100644 test/unit/unit_configs/process/tunneling/missing_reactants/config.json
 create mode 100644 test/unit/unit_configs/process/tunneling/nonstandard_product_coef/config.json
 create mode 100644 test/unit/unit_configs/process/tunneling/nonstandard_reactant_coef/config.json
 create mode 100644 test/unit/unit_configs/process/tunneling/valid/config.json

diff --git a/test/unit/unit_configs/process/emission/contains_nonstandard_key/config.json b/test/unit/unit_configs/process/emission/contains_nonstandard_key/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/emission/contains_nonstandard_key/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/emission/missing_MUSICA_name/config.json b/test/unit/unit_configs/process/emission/missing_MUSICA_name/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/emission/missing_MUSICA_name/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/emission/missing_products/config.json b/test/unit/unit_configs/process/emission/missing_products/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/emission/missing_products/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/emission/valid/config.json b/test/unit/unit_configs/process/emission/valid/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/emission/valid/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/first_order_loss/contains_nonstandard_key/config.json b/test/unit/unit_configs/process/first_order_loss/contains_nonstandard_key/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/first_order_loss/contains_nonstandard_key/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/first_order_loss/missing_MUSICA_name/config.json b/test/unit/unit_configs/process/first_order_loss/missing_MUSICA_name/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/first_order_loss/missing_MUSICA_name/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/first_order_loss/missing_reactants/config.json b/test/unit/unit_configs/process/first_order_loss/missing_reactants/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/first_order_loss/missing_reactants/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/first_order_loss/valid/config.json b/test/unit/unit_configs/process/first_order_loss/valid/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/first_order_loss/valid/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/photolysis/contains_nonstandard_key/config.json b/test/unit/unit_configs/process/photolysis/contains_nonstandard_key/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/photolysis/contains_nonstandard_key/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/photolysis/missing_MUSICA_name/config.json b/test/unit/unit_configs/process/photolysis/missing_MUSICA_name/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/photolysis/missing_MUSICA_name/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/photolysis/missing_products/config.json b/test/unit/unit_configs/process/photolysis/missing_products/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/photolysis/missing_products/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/photolysis/missing_reactants/config.json b/test/unit/unit_configs/process/photolysis/missing_reactants/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/photolysis/missing_reactants/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/photolysis/nonstandard_product_coef/config.json b/test/unit/unit_configs/process/photolysis/nonstandard_product_coef/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/photolysis/nonstandard_product_coef/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/photolysis/nonstandard_reactant_coef/config.json b/test/unit/unit_configs/process/photolysis/nonstandard_reactant_coef/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/photolysis/nonstandard_reactant_coef/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/photolysis/valid/config.json b/test/unit/unit_configs/process/photolysis/valid/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/photolysis/valid/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/surface/contains_nonstandard_key/config.json b/test/unit/unit_configs/process/surface/contains_nonstandard_key/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/surface/contains_nonstandard_key/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/surface/missing_MUSICA_name/config.json b/test/unit/unit_configs/process/surface/missing_MUSICA_name/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/surface/missing_MUSICA_name/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/surface/missing_products/config.json b/test/unit/unit_configs/process/surface/missing_products/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/surface/missing_products/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/surface/missing_reactants/config.json b/test/unit/unit_configs/process/surface/missing_reactants/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/surface/missing_reactants/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/surface/nonstandard_product_coef/config.json b/test/unit/unit_configs/process/surface/nonstandard_product_coef/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/surface/nonstandard_product_coef/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/surface/valid/config.json b/test/unit/unit_configs/process/surface/valid/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/surface/valid/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/ternary_chemical_activation/contains_nonstandard_key/config.json b/test/unit/unit_configs/process/ternary_chemical_activation/contains_nonstandard_key/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/ternary_chemical_activation/contains_nonstandard_key/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/ternary_chemical_activation/missing_products/config.json b/test/unit/unit_configs/process/ternary_chemical_activation/missing_products/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/ternary_chemical_activation/missing_products/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/ternary_chemical_activation/missing_reactants/config.json b/test/unit/unit_configs/process/ternary_chemical_activation/missing_reactants/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/ternary_chemical_activation/missing_reactants/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_product_coef/config.json b/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_product_coef/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_product_coef/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef/config.json b/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/ternary_chemical_activation/valid/config.json b/test/unit/unit_configs/process/ternary_chemical_activation/valid/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/ternary_chemical_activation/valid/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/troe/contains_nonstandard_key/config.json b/test/unit/unit_configs/process/troe/contains_nonstandard_key/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/contains_nonstandard_key/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/troe/missing_products/config.json b/test/unit/unit_configs/process/troe/missing_products/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/missing_products/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/troe/missing_reactants/config.json b/test/unit/unit_configs/process/troe/missing_reactants/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/missing_reactants/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/troe/nonstandard_product_coef/config.json b/test/unit/unit_configs/process/troe/nonstandard_product_coef/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/nonstandard_product_coef/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/troe/nonstandard_reactant_coef/config.json b/test/unit/unit_configs/process/troe/nonstandard_reactant_coef/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/nonstandard_reactant_coef/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/troe/valid/config.json b/test/unit/unit_configs/process/troe/valid/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/troe/valid/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/tunneling/contains_nonstandard_key/config.json b/test/unit/unit_configs/process/tunneling/contains_nonstandard_key/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/tunneling/contains_nonstandard_key/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/tunneling/missing_products/config.json b/test/unit/unit_configs/process/tunneling/missing_products/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/tunneling/missing_products/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/tunneling/missing_reactants/config.json b/test/unit/unit_configs/process/tunneling/missing_reactants/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/tunneling/missing_reactants/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/tunneling/nonstandard_product_coef/config.json b/test/unit/unit_configs/process/tunneling/nonstandard_product_coef/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/tunneling/nonstandard_product_coef/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/tunneling/nonstandard_reactant_coef/config.json b/test/unit/unit_configs/process/tunneling/nonstandard_reactant_coef/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/tunneling/nonstandard_reactant_coef/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/tunneling/valid/config.json b/test/unit/unit_configs/process/tunneling/valid/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/tunneling/valid/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}

From d062a5a23a96654d89497692477a435227db422a Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 13:12:33 -0600
Subject: [PATCH 180/318] Allow config_path to be either a file or a directory
 with a default config.json.

---
 include/micm/configure/camp_config.hpp   | 26 ++++++++++++++++++------
 test/unit/configure/test_camp_config.cpp |  9 ++++++++
 2 files changed, 29 insertions(+), 6 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 77da4adee..688497b6b 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -101,6 +101,7 @@ namespace micm
       std::vector<Process> processes_;
 
       // Common JSON
+      static const inline std::string DEFAULT_CONFIG_FILE = "config.json";
       static const inline std::string CAMP_FILES = "camp-files";
       static const inline std::string CAMP_DATA = "camp-data";
       static const inline std::string TYPE = "type";
@@ -108,15 +109,15 @@ namespace micm
       // Functions
 
       /// @brief Parse configures
-      /// @param config_file Path to a the CAMP configuration file
+      /// @param config_path Path to a the CAMP configuration directory or file
       /// @return True for successful parsing
-      ConfigParseStatus Parse(const std::filesystem::path& config_file)
+      ConfigParseStatus Parse(const std::filesystem::path& config_path)
       {
         // Parse status
         ConfigParseStatus status;
 
-        // Look for CAMP config file
-        if (!std::filesystem::exists(config_file))
+        // Look for CAMP config path
+        if (!std::filesystem::exists(config_path))
         {
           status = ConfigParseStatus::InvalidCAMPFilePath;
 	  std::string msg = configParseStatusToString(status);
@@ -124,8 +125,21 @@ namespace micm
           return status;
         }
 
-        // Extract configuration dir from configuration file path
-        std::filesystem::path config_dir = config_file.parent_path();
+        std::filesystem::path config_dir;
+        std::filesystem::path config_file;
+
+        if (std::filesystem::is_directory(config_path))
+        {
+          // If config path is a directory, use default config file name
+          config_dir = config_path;
+          config_file = config_dir / DEFAULT_CONFIG_FILE;
+        }
+        else
+        {
+          // Extract configuration dir from configuration file path
+          config_dir = config_path.parent_path();
+          config_file = config_path;
+        }
 
         // The CAMP file list
         std::vector<std::filesystem::path> camp_files;
diff --git a/test/unit/configure/test_camp_config.cpp b/test/unit/configure/test_camp_config.cpp
index 55d30f5be..0d9010a6d 100644
--- a/test/unit/configure/test_camp_config.cpp
+++ b/test/unit/configure/test_camp_config.cpp
@@ -25,6 +25,15 @@ TEST(SolverConfig, ReadAndParseCAMPFiles)
   EXPECT_EQ(micm::ConfigParseStatus::Success, status);
 }
 
+TEST(SolverConfig, ReadAndParseCAMPFilesFromDir)
+{
+  micm::SolverConfig solverConfig{};
+
+  // Read and parse the CAMP configure file
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_valid");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+}
+
 TEST(SolverConfig, ReadAndParseSystemObject)
 {
   micm::SolverConfig solverConfig;

From ba5e221dddde5e8a2911e2136c2ee1f8a9038bdb Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 13:18:44 -0600
Subject: [PATCH 181/318] Added config.json files to tutorials.

---
 test/tutorial/configs/rate_constants_no_user_defined/config.json | 1 +
 test/tutorial/configs/rate_constants_user_defined/config.json    | 1 +
 test/tutorial/configs/robertson/config.json                      | 1 +
 3 files changed, 3 insertions(+)
 create mode 100644 test/tutorial/configs/rate_constants_no_user_defined/config.json
 create mode 100644 test/tutorial/configs/rate_constants_user_defined/config.json
 create mode 100644 test/tutorial/configs/robertson/config.json

diff --git a/test/tutorial/configs/rate_constants_no_user_defined/config.json b/test/tutorial/configs/rate_constants_no_user_defined/config.json
new file mode 100644
index 000000000..61165b00d
--- /dev/null
+++ b/test/tutorial/configs/rate_constants_no_user_defined/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json"]}
diff --git a/test/tutorial/configs/rate_constants_user_defined/config.json b/test/tutorial/configs/rate_constants_user_defined/config.json
new file mode 100644
index 000000000..61165b00d
--- /dev/null
+++ b/test/tutorial/configs/rate_constants_user_defined/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json"]}
diff --git a/test/tutorial/configs/robertson/config.json b/test/tutorial/configs/robertson/config.json
new file mode 100644
index 000000000..61165b00d
--- /dev/null
+++ b/test/tutorial/configs/robertson/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json"]}

From a63d6619eb43ce341a00d9522d12757c2e3fb5db Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 13:21:09 -0600
Subject: [PATCH 182/318] Added config.json to kpp_chapman test.

---
 test/kpp/configs/kpp_chapman/config.json | 1 +
 1 file changed, 1 insertion(+)
 create mode 100644 test/kpp/configs/kpp_chapman/config.json

diff --git a/test/kpp/configs/kpp_chapman/config.json b/test/kpp/configs/kpp_chapman/config.json
new file mode 100644
index 000000000..61165b00d
--- /dev/null
+++ b/test/kpp/configs/kpp_chapman/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json"]}

From 50fd694e63b3821ed25ce7a4c2d507732b5590ab Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 13:56:07 -0600
Subject: [PATCH 183/318] Added ValidateScheme from solver_config.hpp.

---
 include/micm/configure/camp_config.hpp | 67 +++++++++++++++++++++++++-
 1 file changed, 66 insertions(+), 1 deletion(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 688497b6b..0356bf580 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -38,7 +38,9 @@ namespace micm
     InvalidSpecies,
     InvalidMechanism,
     ObjectTypeNotFound,
-    RequiredKeyNotFound
+    RequiredKeyNotFound,
+    ContainsNonStandardKey,
+    MutuallyExclusiveOption
   };
 
   inline std::string configParseStatusToString(const ConfigParseStatus& status)
@@ -57,6 +59,8 @@ namespace micm
       case ConfigParseStatus::InvalidMechanism: return "InvalidMechanism";
       case ConfigParseStatus::ObjectTypeNotFound: return "ObjectTypeNotFound";
       case ConfigParseStatus::RequiredKeyNotFound: return "RequiredKeyNotFound";
+      case ConfigParseStatus::ContainsNonStandardKey: return "ContainsNonStandardKey";
+      case ConfigParseStatus::MutuallyExclusiveOption: return "MutuallyExclusiveOption";
       default: return "Unknown";
     }
   }
@@ -767,6 +771,67 @@ namespace micm
 
         return ConfigParseStatus::Success;
       }
+
+    /// @brief Search for nonstandard keys. Only nonstandard keys starting with __ are allowed. Others are considered typos
+    /// @param object the object whose keys need to be validated
+    /// @param required_keys The required keys
+    /// @param optional_keys The optional keys
+    /// @return true if only standard keys are found
+    ConfigParseStatus ValidateSchema(
+        const json& object,
+        const std::vector<std::string>& required_keys,
+        const std::vector<std::string>& optional_keys)
+    {
+      // standard keys are:
+      // those in required keys
+      // those in optional keys
+      // starting with __
+      // anything else is reported as an error so that typos are caught, specifically for optional keys
+
+      std::vector<std::string> sorted_object_keys;
+      for (auto& [key, value] : object.items())
+        sorted_object_keys.push_back(key);
+
+      auto sorted_required_keys = required_keys;
+      auto sorted_optional_keys = optional_keys;
+      std::sort(sorted_object_keys.begin(), sorted_object_keys.end());
+      std::sort(sorted_required_keys.begin(), sorted_required_keys.end());
+      std::sort(sorted_optional_keys.begin(), sorted_optional_keys.end());
+
+      // get the difference between the object keys and those required
+      // what's left should be the optional keys and valid comments
+      std::vector<std::string> difference;
+      std::set_difference(
+          sorted_object_keys.begin(),
+          sorted_object_keys.end(),
+          sorted_required_keys.begin(),
+          sorted_required_keys.end(),
+          std::back_inserter(difference));
+
+      // check that the number of keys remaining is exactly equal to the expected number of required keys
+      if (difference.size() != (sorted_object_keys.size() - required_keys.size()))
+      {
+        return ConfigParseStatus::RequiredKeyNotFound;
+      }
+
+      std::vector<std::string> remaining;
+      std::set_difference(
+          difference.begin(),
+          difference.end(),
+          sorted_optional_keys.begin(),
+          sorted_optional_keys.end(),
+          std::back_inserter(remaining));
+
+      // now, anything left must be standard comment starting with __
+      for (auto& key : remaining)
+      {
+        if (!key.starts_with("__"))
+        {
+          return ConfigParseStatus::ContainsNonStandardKey;
+        }
+      }
+      return ConfigParseStatus::Success;
+    }
   };
 
   /// @brief Public interface to read and parse config

From 330b6b1e027e9856e46f85c48fc9f4d5b08ab846 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 14:33:42 -0600
Subject: [PATCH 184/318] Adding ValidateSchema to parsers from
 solver_config.hpp.

---
 include/micm/configure/camp_config.hpp | 42 +++++++++++++++++++-------
 1 file changed, 31 insertions(+), 11 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 0356bf580..a21a7f302 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -321,14 +321,16 @@ namespace micm
       {
         // required keys
         const std::string NAME = "name";
-        std::array<std::string, 1> required_keys = { NAME };
 
-        // Check if it contains the required key(s)
-        for (const auto& key : required_keys)
+        auto status = ValidateSchema(
+          object,
+          { NAME, "type" },
+          { "tracer type", "absolute tolerance", "diffusion coefficient [m2 s-1]", "molecular weight [kg mol-1]" });
+        if (status != ConfigParseStatus::Success)
         {
-          if (!ValidateJsonWithKey(object, key))
-            return ConfigParseStatus::RequiredKeyNotFound;
+          return status;
         }
+
         std::string name = object[NAME].get<std::string>();
 
         // Load remaining keys as properties
@@ -350,12 +352,12 @@ namespace micm
 
       ConfigParseStatus ParseMechanism(const json& object)
       {
-        std::vector<std::string> required_keys = { "name", "reactions" };
-        for (const auto& key : required_keys)
+        auto status = ValidateSchema(object, { "name", "reactions", "type" }, {});
+        if (status != ConfigParseStatus::Success)
         {
-          if (!ValidateJsonWithKey(object, key))
-            return ConfigParseStatus::RequiredKeyNotFound;
+          return status;
         }
+
         std::vector<json> objects;
         for (const auto& element : object["reactions"])
         {
@@ -365,35 +367,53 @@ namespace micm
         return ParseObjectArray(objects);
       }
 
+      // std::pair<ConfigParseStatus, std::vector<Species>> ParseReactants(const json& object)
       std::vector<Species> ParseReactants(const json& object)
       {
         const std::string QTY = "qty";
         std::vector<Species> reactants;
+
+        ConfigParseStatus status = ConfigParseStatus::Success;
+
         for (auto& [key, value] : object.items())
         {
           std::size_t qty = 1;
+          auto new_status = ValidateSchema(value, {}, { "qty" });
+          if (new_status != ConfigParseStatus::Success)
+          {
+            status = new_status;
+          }
           if (value.contains(QTY))
             qty = value[QTY];
           for (std::size_t i = 0; i < qty; ++i)
             reactants.push_back(Species(key));
         }
+        // return std::make_pair(status, reactants);
         return reactants;
       }
 
       std::vector<std::pair<Species, double>> ParseProducts(const json& object)
       {
         const std::string YIELD = "yield";
-        constexpr double DEFAULT_YEILD = 1.0;
+
+        ConfigParseStatus status = ConfigParseStatus::Success;
+
+        constexpr double DEFAULT_YIELD = 1.0;
         std::vector<std::pair<Species, double>> products;
         for (auto& [key, value] : object.items())
         {
+          auto new_status = ValidateSchema(value, {}, { "yield" });
+          if (new_status != ConfigParseStatus::Success)
+          {
+            status = new_status;
+          }
           if (value.contains(YIELD))
           {
             products.push_back(std::make_pair(Species(key), value[YIELD]));
           }
           else
           {
-            products.push_back(std::make_pair(Species(key), DEFAULT_YEILD));
+            products.push_back(std::make_pair(Species(key), DEFAULT_YIELD));
           }
         }
         return products;

From a23974b841fa0ce207f8b4cf60c951f9369f6f2d Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 16:36:56 -0600
Subject: [PATCH 185/318] Restoring more ValidateSchema checks.

---
 include/micm/configure/camp_config.hpp | 36 ++++++++++++++------------
 1 file changed, 19 insertions(+), 17 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index a21a7f302..b0d5edd35 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -425,10 +425,10 @@ namespace micm
         const std::string PRODUCTS = "products";
         const std::string MUSICA_NAME = "MUSICA name";
 
-        for (const auto& key : { REACTANTS, PRODUCTS, MUSICA_NAME })
+        auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, {});
+        if (status != ConfigParseStatus::Success)
         {
-          if (!ValidateJsonWithKey(object, key))
-            return ConfigParseStatus::RequiredKeyNotFound;
+          return status;
         }
 
         auto reactants = ParseReactants(object[REACTANTS]);
@@ -449,10 +449,11 @@ namespace micm
       {
         const std::string SPECIES = "species";
         const std::string MUSICA_NAME = "MUSICA name";
-        for (const auto& key : { SPECIES, MUSICA_NAME })
+
+        auto status = ValidateSchema(object, { "type", SPECIES, MUSICA_NAME }, {});
+        if (status != ConfigParseStatus::Success)
         {
-          if (!ValidateJsonWithKey(object, key))
-            return ConfigParseStatus::RequiredKeyNotFound;
+          return status;
         }
 
         std::string species = object["species"].get<std::string>();
@@ -477,10 +478,11 @@ namespace micm
       {
         const std::string SPECIES = "species";
         const std::string MUSICA_NAME = "MUSICA name";
-        for (const auto& key : { SPECIES, MUSICA_NAME })
+
+        auto status = ValidateSchema(object, { "type", SPECIES, MUSICA_NAME }, {});
+        if (status != ConfigParseStatus::Success)
         {
-          if (!ValidateJsonWithKey(object, key))
-            return ConfigParseStatus::RequiredKeyNotFound;
+          return status;
         }
 
         std::string species = object["species"].get<std::string>();
@@ -506,11 +508,11 @@ namespace micm
         const std::string REACTANTS = "reactants";
         const std::string PRODUCTS = "products";
 
-        // Check required json objects exist
-        for (const auto& key : { REACTANTS, PRODUCTS })
+        auto status =
+          ValidateSchema(object, { "type", REACTANTS, PRODUCTS }, { "A", "B", "C", "D", "E", "Ea", "MUSICA name" });
+        if (status != ConfigParseStatus::Success)
         {
-          if (!ValidateJsonWithKey(object, key))
-            return ConfigParseStatus::RequiredKeyNotFound;
+          return status;
         }
 
         auto reactants = ParseReactants(object[REACTANTS]);
@@ -557,11 +559,11 @@ namespace micm
         const std::string REACTANTS = "reactants";
         const std::string PRODUCTS = "products";
 
-        // Check required json objects exist
-        for (const auto& key : { REACTANTS, PRODUCTS })
+        auto status = ValidateSchema(
+          object, { "type", REACTANTS, PRODUCTS }, { "k0_A", "k0_B", "k0_C", "kinf_A", "kinf_B", "kinf_C", "Fc", "N" });
+        if (status != ConfigParseStatus::Success)
         {
-          if (!ValidateJsonWithKey(object, key))
-            return ConfigParseStatus::RequiredKeyNotFound;
+          return status;
         }
 
         auto reactants = ParseReactants(object[REACTANTS]);

From 235ac69870dc7ad1486edbabe69f8d95253e59c3 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 16:52:45 -0600
Subject: [PATCH 186/318] Restoring more ValidateSchema checks.

---
 include/micm/configure/camp_config.hpp | 213 ++++++++++++-------------
 1 file changed, 106 insertions(+), 107 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index b0d5edd35..3eafb7260 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -18,10 +18,10 @@
 #include <micm/process/user_defined_rate_constant.hpp>
 #include <micm/process/arrhenius_rate_constant.hpp>
 #include <micm/process/troe_rate_constant.hpp>
-#include <micm/process/branched_rate_constant.hpp>
-#include <micm/process/surface_rate_constant.hpp>
 #include <micm/process/ternary_chemical_activation_rate_constant.hpp>
+#include <micm/process/branched_rate_constant.hpp>
 #include <micm/process/tunneling_rate_constant.hpp>
+#include <micm/process/surface_rate_constant.hpp>
 
 namespace micm
 {
@@ -94,10 +94,10 @@ namespace micm
       std::vector<UserDefinedRateConstant> user_defined_rate_arr_;
       std::vector<ArrheniusRateConstant> arrhenius_rate_arr_;
       std::vector<TroeRateConstant> troe_rate_arr_;
-      std::vector<BranchedRateConstant> branched_rate_arr_;
-      std::vector<SurfaceRateConstant> surface_rate_arr_;
       std::vector<TernaryChemicalActivationRateConstant> ternary_rate_arr_;
+      std::vector<BranchedRateConstant> branched_rate_arr_;
       std::vector<TunnelingRateConstant> tunneling_rate_arr_;
+      std::vector<SurfaceRateConstant> surface_rate_arr_;
 
       // Specific for solver parameters
       Phase gas_phase_;
@@ -203,10 +203,10 @@ namespace micm
         user_defined_rate_arr_.clear();
         arrhenius_rate_arr_.clear();
         troe_rate_arr_.clear();
-        branched_rate_arr_.clear();
-        surface_rate_arr_.clear();
         ternary_rate_arr_.clear();
+        branched_rate_arr_.clear();
         tunneling_rate_arr_.clear();
+        surface_rate_arr_.clear();
         phases_.clear();
         processes_.clear();
 
@@ -278,22 +278,22 @@ namespace micm
           {
             status = ParseTroe(object);
           }
-          else if (type == "BRANCHED" || type == "WENNBERG_NO_RO2")
-          {
-            status = ParseBranched(object);
-          }
-          else if (type == "SURFACE")
-          {
-            status = ParseSurface(object);
-          }
           else if (type == "TERNARY_CHEMICAL_ACTIVATION")
           {
             status = ParseTernaryChemicalActivation(object);
           }
+          else if (type == "BRANCHED" || type == "WENNBERG_NO_RO2")
+          {
+            status = ParseBranched(object);
+          }
           else if (type == "TUNNELING" || type == "WENNBERG_TUNNELING")
           {
             status = ParseTunneling(object);
           }
+          else if (type == "SURFACE")
+          {
+            status = ParseSurface(object);
+          }
           else
           {
             status = ConfigParseStatus::UnknownKey;
@@ -612,101 +612,16 @@ namespace micm
         return ConfigParseStatus::Success;
       }
 
-      ConfigParseStatus ParseBranched(const json& object)
-      {
-        const std::string REACTANTS = "reactants";
-        const std::string ALKOXY_PRODUCTS = "alkoxy products";
-        const std::string NITRATE_PRODUCTS = "nitrate products";
-        const std::string X = "X";
-        const std::string Y = "Y";
-        const std::string A0 = "a0";
-        const std::string N = "n";
-
-        // Check required json objects exist
-        for (const auto& key : { REACTANTS, ALKOXY_PRODUCTS, NITRATE_PRODUCTS, X, Y, A0, N })
-        {
-          if (!ValidateJsonWithKey(object, key))
-            return ConfigParseStatus::RequiredKeyNotFound;
-        }
-
-        auto reactants = ParseReactants(object[REACTANTS]);
-        auto alkoxy_products = ParseProducts(object[ALKOXY_PRODUCTS]);
-        auto nitrate_products = ParseProducts(object[NITRATE_PRODUCTS]);
-
-        BranchedRateConstantParameters parameters;
-        parameters.X_ = object[X].get<double>();
-        parameters.Y_ = object[Y].get<double>();
-        parameters.a0_ = object[A0].get<double>();
-        parameters.n_ = object[N].get<int>();
-
-        // Alkoxy branch
-        parameters.branch_ = BranchedRateConstantParameters::Branch::Alkoxy;
-        branched_rate_arr_.push_back(BranchedRateConstant(parameters));
-        std::unique_ptr<BranchedRateConstant> rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
-        processes_.push_back(Process(reactants, alkoxy_products, std::move(rate_ptr), gas_phase_));
-
-        // Nitrate branch
-        parameters.branch_ = BranchedRateConstantParameters::Branch::Nitrate;
-        branched_rate_arr_.push_back(BranchedRateConstant(parameters));
-        rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
-        processes_.push_back(Process(reactants, nitrate_products, std::move(rate_ptr), gas_phase_));
-
-        return ConfigParseStatus::Success;
-      }
-
-      ConfigParseStatus ParseSurface(const json& object)
-      {
-        const std::string REACTANTS = "gas-phase reactant";
-        const std::string PRODUCTS = "gas-phase products";
-        const std::string MUSICA_NAME = "MUSICA name";
-        const std::string PROBABILITY = "reaction probability";
-        for (const auto& key : { REACTANTS, PRODUCTS, MUSICA_NAME })
-        {
-          if (!ValidateJsonWithKey(object, key))
-            return ConfigParseStatus::RequiredKeyNotFound;
-        }
-
-        std::string species_name = object[REACTANTS].get<std::string>();
-        json reactants_object{};
-        reactants_object[species_name] = { {} };
-        auto reactants = ParseReactants(reactants_object);
-        auto products = ParseProducts(object[PRODUCTS]);
-
-        Species reactant_species = Species("");
-        for (auto& species : species_arr_)
-        {
-          if (species.name_ == species_name)
-          {
-            reactant_species = species;
-            break;
-          }
-        }
-        SurfaceRateConstantParameters parameters{ .label_ = "SURF." + object[MUSICA_NAME].get<std::string>(),
-                                                  .species_ = reactant_species };
-
-        if (object.contains(PROBABILITY))
-        {
-          parameters.reaction_probability_ = object[PROBABILITY].get<double>();
-        }
-
-        surface_rate_arr_.push_back(SurfaceRateConstant(parameters));
-
-        std::unique_ptr<SurfaceRateConstant> rate_ptr = std::make_unique<SurfaceRateConstant>(parameters);
-        processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
-
-        return ConfigParseStatus::Success;
-      }
-
       ConfigParseStatus ParseTernaryChemicalActivation(const json& object)
       {
         const std::string REACTANTS = "reactants";
         const std::string PRODUCTS = "products";
 
-        // Check required json objects exist
-        for (const auto& key : { REACTANTS, PRODUCTS })
+        auto status = ValidateSchema(
+          object, { "type", REACTANTS, PRODUCTS }, { "k0_A", "k0_B", "k0_C", "kinf_A", "kinf_B", "kinf_C", "Fc", "N" });
+        if (status != ConfigParseStatus::Success)
         {
-          if (!ValidateJsonWithKey(object, key))
-            return ConfigParseStatus::RequiredKeyNotFound;
+          return status;
         }
 
         auto reactants = ParseReactants(object[REACTANTS]);
@@ -756,16 +671,56 @@ namespace micm
         return ConfigParseStatus::Success;
       }
 
+      ConfigParseStatus ParseBranched(const json& object)
+      {
+        const std::string REACTANTS = "reactants";
+        const std::string ALKOXY_PRODUCTS = "alkoxy products";
+        const std::string NITRATE_PRODUCTS = "nitrate products";
+        const std::string X = "X";
+        const std::string Y = "Y";
+        const std::string A0 = "a0";
+        const std::string N = "n";
+
+        auto status = ValidateSchema(object, { "type", REACTANTS, ALKOXY_PRODUCTS, NITRATE_PRODUCTS, X, Y, A0, N }, {});
+        if (status != ConfigParseStatus::Success)
+        {
+          return status;
+        }
+
+        auto reactants = ParseReactants(object[REACTANTS]);
+        auto alkoxy_products = ParseProducts(object[ALKOXY_PRODUCTS]);
+        auto nitrate_products = ParseProducts(object[NITRATE_PRODUCTS]);
+
+        BranchedRateConstantParameters parameters;
+        parameters.X_ = object[X].get<double>();
+        parameters.Y_ = object[Y].get<double>();
+        parameters.a0_ = object[A0].get<double>();
+        parameters.n_ = object[N].get<int>();
+
+        // Alkoxy branch
+        parameters.branch_ = BranchedRateConstantParameters::Branch::Alkoxy;
+        branched_rate_arr_.push_back(BranchedRateConstant(parameters));
+        std::unique_ptr<BranchedRateConstant> rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
+        processes_.push_back(Process(reactants, alkoxy_products, std::move(rate_ptr), gas_phase_));
+
+        // Nitrate branch
+        parameters.branch_ = BranchedRateConstantParameters::Branch::Nitrate;
+        branched_rate_arr_.push_back(BranchedRateConstant(parameters));
+        rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
+        processes_.push_back(Process(reactants, nitrate_products, std::move(rate_ptr), gas_phase_));
+
+        return ConfigParseStatus::Success;
+      }
+
       ConfigParseStatus ParseTunneling(const json& object)
       {
         const std::string REACTANTS = "reactants";
         const std::string PRODUCTS = "products";
 
-        // Check required json objects exist
-        for (const auto& key : { REACTANTS, PRODUCTS })
+        auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS }, { "A", "B", "C" });
+        if (status != ConfigParseStatus::Success)
         {
-          if (!ValidateJsonWithKey(object, key))
-            return ConfigParseStatus::RequiredKeyNotFound;
+          return status;
         }
 
         auto reactants = ParseReactants(object[REACTANTS]);
@@ -794,6 +749,50 @@ namespace micm
         return ConfigParseStatus::Success;
       }
 
+      ConfigParseStatus ParseSurface(const json& object)
+      {
+        const std::string REACTANTS = "gas-phase reactant";
+        const std::string PRODUCTS = "gas-phase products";
+        const std::string MUSICA_NAME = "MUSICA name";
+        const std::string PROBABILITY = "reaction probability";
+
+        auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, { PROBABILITY });
+        if (status != ConfigParseStatus::Success)
+        {
+          return status;
+        }
+
+        std::string species_name = object[REACTANTS].get<std::string>();
+        json reactants_object{};
+        reactants_object[species_name] = { {} };
+        auto reactants = ParseReactants(reactants_object);
+        auto products = ParseProducts(object[PRODUCTS]);
+
+        Species reactant_species = Species("");
+        for (auto& species : species_arr_)
+        {
+          if (species.name_ == species_name)
+          {
+            reactant_species = species;
+            break;
+          }
+        }
+        SurfaceRateConstantParameters parameters{ .label_ = "SURF." + object[MUSICA_NAME].get<std::string>(),
+                                                  .species_ = reactant_species };
+
+        if (object.contains(PROBABILITY))
+        {
+          parameters.reaction_probability_ = object[PROBABILITY].get<double>();
+        }
+
+        surface_rate_arr_.push_back(SurfaceRateConstant(parameters));
+
+        std::unique_ptr<SurfaceRateConstant> rate_ptr = std::make_unique<SurfaceRateConstant>(parameters);
+        processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+
+        return ConfigParseStatus::Success;
+      }
+
     /// @brief Search for nonstandard keys. Only nonstandard keys starting with __ are allowed. Others are considered typos
     /// @param object the object whose keys need to be validated
     /// @param required_keys The required keys

From d4af81545c0dfd0e1a8291c8cd64349c4dee9ebf Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 17:13:59 -0600
Subject: [PATCH 187/318] Completed merge from solver_config.

---
 include/micm/configure/camp_config.hpp | 130 +++++++++++++++++++++----
 1 file changed, 113 insertions(+), 17 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 3eafb7260..5373d503a 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -367,8 +367,7 @@ namespace micm
         return ParseObjectArray(objects);
       }
 
-      // std::pair<ConfigParseStatus, std::vector<Species>> ParseReactants(const json& object)
-      std::vector<Species> ParseReactants(const json& object)
+      std::pair<ConfigParseStatus, std::vector<Species>> ParseReactants(const json& object)
       {
         const std::string QTY = "qty";
         std::vector<Species> reactants;
@@ -388,11 +387,10 @@ namespace micm
           for (std::size_t i = 0; i < qty; ++i)
             reactants.push_back(Species(key));
         }
-        // return std::make_pair(status, reactants);
-        return reactants;
+        return std::make_pair(status, reactants);
       }
 
-      std::vector<std::pair<Species, double>> ParseProducts(const json& object)
+      std::pair<ConfigParseStatus, std::vector<std::pair<Species, double>>> ParseProducts(const json& object)
       {
         const std::string YIELD = "yield";
 
@@ -416,7 +414,7 @@ namespace micm
             products.push_back(std::make_pair(Species(key), DEFAULT_YIELD));
           }
         }
-        return products;
+        return std::make_pair(status, products);
       }
 
       ConfigParseStatus ParsePhotolysis(const json& object)
@@ -434,13 +432,23 @@ namespace micm
         auto reactants = ParseReactants(object[REACTANTS]);
         auto products = ParseProducts(object[PRODUCTS]);
 
+        if (reactants.first != ConfigParseStatus::Success)
+        {
+          return reactants.first;
+        }
+
+        if (products.first != ConfigParseStatus::Success)
+        {
+          return products.first;
+        }
+
         std::string name = "PHOTO." + object[MUSICA_NAME].get<std::string>();
 
         user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
 
         std::unique_ptr<UserDefinedRateConstant> rate_ptr =
           std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
-        processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
         return ConfigParseStatus::Success;
       }
@@ -460,16 +468,27 @@ namespace micm
         json reactants_object{};
         json products_object{};
         products_object[species] = { { "YIELD", 1.0 } };
+
         auto reactants = ParseReactants(reactants_object);
         auto products = ParseProducts(products_object);
 
+        if (reactants.first != ConfigParseStatus::Success)
+        {
+          return reactants.first;
+        }
+
+        if (products.first != ConfigParseStatus::Success)
+        {
+          return products.first;
+        }
+
         std::string name = "EMIS." + object[MUSICA_NAME].get<std::string>();
 
         user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
 
         std::unique_ptr<UserDefinedRateConstant> rate_ptr =
           std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
-        processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
         return ConfigParseStatus::Success;
       }
@@ -489,16 +508,27 @@ namespace micm
         json reactants_object{};
         json products_object{};
         reactants_object[species] = { {} };
+
         auto reactants = ParseReactants(reactants_object);
         auto products = ParseProducts(products_object);
 
+        if (reactants.first != ConfigParseStatus::Success)
+        {
+          return reactants.first;
+        }
+
+        if (products.first != ConfigParseStatus::Success)
+        {
+          return products.first;
+        }
+
         std::string name = "LOSS." + object[MUSICA_NAME].get<std::string>();
 
         user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
 
         std::unique_ptr<UserDefinedRateConstant> rate_ptr =
           std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
-        processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
         return ConfigParseStatus::Success;
       }
@@ -518,6 +548,16 @@ namespace micm
         auto reactants = ParseReactants(object[REACTANTS]);
         auto products = ParseProducts(object[PRODUCTS]);
 
+        if (reactants.first != ConfigParseStatus::Success)
+        {
+          return reactants.first;
+        }
+
+        if (products.first != ConfigParseStatus::Success)
+        {
+          return products.first;
+        }
+
         ArrheniusRateConstantParameters parameters;
         if (object.contains("A"))
         {
@@ -549,7 +589,7 @@ namespace micm
  
         std::unique_ptr<ArrheniusRateConstant> rate_ptr = std::make_unique<ArrheniusRateConstant>(parameters);
 
-        processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
         return ConfigParseStatus::Success;
       }
@@ -569,6 +609,16 @@ namespace micm
         auto reactants = ParseReactants(object[REACTANTS]);
         auto products = ParseProducts(object[PRODUCTS]);
 
+        if (reactants.first != ConfigParseStatus::Success)
+        {
+          return reactants.first;
+        }
+
+        if (products.first != ConfigParseStatus::Success)
+        {
+          return products.first;
+        }
+
         TroeRateConstantParameters parameters;
         if (object.contains("k0_A"))
         {
@@ -607,7 +657,7 @@ namespace micm
 
         std::unique_ptr<TroeRateConstant> rate_ptr = std::make_unique<TroeRateConstant>(parameters);
 
-        processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
         return ConfigParseStatus::Success;
       }
@@ -627,6 +677,16 @@ namespace micm
         auto reactants = ParseReactants(object[REACTANTS]);
         auto products = ParseProducts(object[PRODUCTS]);
 
+        if (reactants.first != ConfigParseStatus::Success)
+        {
+          return reactants.first;
+        }
+
+        if (products.first != ConfigParseStatus::Success)
+        {
+          return products.first;
+        }
+
         TernaryChemicalActivationRateConstantParameters parameters;
         if (object.contains("k0_A"))
         {
@@ -666,7 +726,7 @@ namespace micm
         std::unique_ptr<TernaryChemicalActivationRateConstant> rate_ptr =
           std::make_unique<TernaryChemicalActivationRateConstant>(parameters);
 
-        processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
         return ConfigParseStatus::Success;
       }
@@ -691,6 +751,21 @@ namespace micm
         auto alkoxy_products = ParseProducts(object[ALKOXY_PRODUCTS]);
         auto nitrate_products = ParseProducts(object[NITRATE_PRODUCTS]);
 
+        if (reactants.first != ConfigParseStatus::Success)
+        {
+          return reactants.first;
+        }
+
+        if (alkoxy_products.first != ConfigParseStatus::Success)
+        {
+          return alkoxy_products.first;
+        }
+
+        if (nitrate_products.first != ConfigParseStatus::Success)
+        {
+          return nitrate_products.first;
+        }
+
         BranchedRateConstantParameters parameters;
         parameters.X_ = object[X].get<double>();
         parameters.Y_ = object[Y].get<double>();
@@ -701,13 +776,13 @@ namespace micm
         parameters.branch_ = BranchedRateConstantParameters::Branch::Alkoxy;
         branched_rate_arr_.push_back(BranchedRateConstant(parameters));
         std::unique_ptr<BranchedRateConstant> rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
-        processes_.push_back(Process(reactants, alkoxy_products, std::move(rate_ptr), gas_phase_));
+        processes_.push_back(Process(reactants.second, alkoxy_products.second, std::move(rate_ptr), gas_phase_));
 
         // Nitrate branch
         parameters.branch_ = BranchedRateConstantParameters::Branch::Nitrate;
         branched_rate_arr_.push_back(BranchedRateConstant(parameters));
         rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
-        processes_.push_back(Process(reactants, nitrate_products, std::move(rate_ptr), gas_phase_));
+        processes_.push_back(Process(reactants.second, nitrate_products.second, std::move(rate_ptr), gas_phase_));
 
         return ConfigParseStatus::Success;
       }
@@ -726,6 +801,16 @@ namespace micm
         auto reactants = ParseReactants(object[REACTANTS]);
         auto products = ParseProducts(object[PRODUCTS]);
 
+        if (reactants.first != ConfigParseStatus::Success)
+        {
+          return reactants.first;
+        }
+
+        if (products.first != ConfigParseStatus::Success)
+        {
+          return products.first;
+        }
+
         TunnelingRateConstantParameters parameters;
         if (object.contains("A"))
         {
@@ -744,7 +829,7 @@ namespace micm
 
         std::unique_ptr<TunnelingRateConstant> rate_ptr = std::make_unique<TunnelingRateConstant>(parameters);
 
-        processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
         return ConfigParseStatus::Success;
       }
@@ -765,9 +850,20 @@ namespace micm
         std::string species_name = object[REACTANTS].get<std::string>();
         json reactants_object{};
         reactants_object[species_name] = { {} };
+
         auto reactants = ParseReactants(reactants_object);
         auto products = ParseProducts(object[PRODUCTS]);
 
+        if (reactants.first != ConfigParseStatus::Success)
+        {
+          return reactants.first;
+        }
+
+        if (products.first != ConfigParseStatus::Success)
+        {
+          return products.first;
+        }
+
         Species reactant_species = Species("");
         for (auto& species : species_arr_)
         {
@@ -788,7 +884,7 @@ namespace micm
         surface_rate_arr_.push_back(SurfaceRateConstant(parameters));
 
         std::unique_ptr<SurfaceRateConstant> rate_ptr = std::make_unique<SurfaceRateConstant>(parameters);
-        processes_.push_back(Process(reactants, products, std::move(rate_ptr), gas_phase_));
+        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
         return ConfigParseStatus::Success;
       }
@@ -848,7 +944,7 @@ namespace micm
       {
         if (!key.starts_with("__"))
         {
-          return ConfigParseStatus::ContainsNonStandardKey;
+          // return ConfigParseStatus::ContainsNonStandardKey;
         }
       }
       return ConfigParseStatus::Success;

From 1ffb0d9cc1ae54b0e4cebcad8eed38acc07d76af Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 18:00:34 -0600
Subject: [PATCH 188/318] Save.

---
 include/micm/configure/camp_config.hpp | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 5373d503a..3744e780a 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -944,7 +944,8 @@ namespace micm
       {
         if (!key.starts_with("__"))
         {
-          // return ConfigParseStatus::ContainsNonStandardKey;
+          std::cerr << key << std::endl;
+          return ConfigParseStatus::ContainsNonStandardKey;
         }
       }
       return ConfigParseStatus::Success;

From 9a9325236a3dc499557b0bac39b1164c5d8f05ca Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 18:10:38 -0600
Subject: [PATCH 189/318] Copied some unit tests for CAMP config debugging.

---
 test/unit/configure/process/CMakeLists.txt    |   5 +-
 .../process/test_arrhenius_camp_config.cpp    | 113 ++++++++++++++++++
 .../process/test_surface_camp_config.cpp      |  82 +++++++++++++
 3 files changed, 199 insertions(+), 1 deletion(-)
 create mode 100644 test/unit/configure/process/test_arrhenius_camp_config.cpp
 create mode 100644 test/unit/configure/process/test_surface_camp_config.cpp

diff --git a/test/unit/configure/process/CMakeLists.txt b/test/unit/configure/process/CMakeLists.txt
index ffbdb9239..a0e1f69b8 100644
--- a/test/unit/configure/process/CMakeLists.txt
+++ b/test/unit/configure/process/CMakeLists.txt
@@ -14,4 +14,7 @@ create_standard_test(NAME photolysis_config SOURCES test_photolysis_config.cpp)
 create_standard_test(NAME surface_config SOURCES test_surface_config.cpp)
 create_standard_test(NAME ternary_chemical_activation_config SOURCES test_ternary_chemical_activation_config.cpp)
 create_standard_test(NAME troe_config SOURCES test_troe_config.cpp)
-create_standard_test(NAME tunneling_config SOURCES test_tunneling_config.cpp)
\ No newline at end of file
+create_standard_test(NAME tunneling_config SOURCES test_tunneling_config.cpp)
+
+create_standard_test(NAME arrhenius_camp_config SOURCES test_arrhenius_camp_config.cpp)
+create_standard_test(NAME surface_camp_config SOURCES test_surface_camp_config.cpp)
diff --git a/test/unit/configure/process/test_arrhenius_camp_config.cpp b/test/unit/configure/process/test_arrhenius_camp_config.cpp
new file mode 100644
index 000000000..2b6b7aaf5
--- /dev/null
+++ b/test/unit/configure/process/test_arrhenius_camp_config.cpp
@@ -0,0 +1,113 @@
+#include <gtest/gtest.h>
+
+#include <micm/configure/camp_config.hpp>
+
+TEST(ArrheniusConfig, DetectsInvalidConfig)
+{
+  micm::SolverConfig solver_config;
+
+  // Read and parse the configure files
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/missing_reactants");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+  status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/missing_products");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+  status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/mutually_exclusive");
+  EXPECT_EQ(micm::ConfigParseStatus::MutuallyExclusiveOption, status);
+}
+
+TEST(ArrheniusConfig, ParseConfig)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/valid");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+
+  micm::SolverParameters solver_params = solver_config.GetSolverParams();
+
+  auto& process_vector = solver_params.processes_;
+
+  // first reaction
+  {
+    EXPECT_EQ(process_vector[0].reactants_.size(), 3);
+    EXPECT_EQ(process_vector[0].reactants_[0].name_, "foo");
+    EXPECT_EQ(process_vector[0].reactants_[1].name_, "quz");
+    EXPECT_EQ(process_vector[0].reactants_[2].name_, "quz");
+    EXPECT_EQ(process_vector[0].products_.size(), 2);
+    EXPECT_EQ(process_vector[0].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[0].products_[0].second, 1.0);
+    EXPECT_EQ(process_vector[0].products_[1].first.name_, "baz");
+    EXPECT_EQ(process_vector[0].products_[1].second, 3.2);
+    micm::ArrheniusRateConstant* ternary_rate_constant =
+        dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[0].rate_constant_.get());
+    auto& params = ternary_rate_constant->parameters_;
+    EXPECT_EQ(params.A_, 1.0);
+    EXPECT_EQ(params.B_, 0.0);
+    EXPECT_EQ(params.C_, 0.0);
+    EXPECT_EQ(params.D_, 300);
+    EXPECT_EQ(params.E_, 0.0);
+  }
+
+  // second reaction
+  {
+    EXPECT_EQ(process_vector[1].reactants_.size(), 2);
+    EXPECT_EQ(process_vector[1].reactants_[0].name_, "bar");
+    EXPECT_EQ(process_vector[1].reactants_[1].name_, "baz");
+    EXPECT_EQ(process_vector[1].products_.size(), 2);
+    EXPECT_EQ(process_vector[1].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[1].products_[0].second, 0.5);
+    EXPECT_EQ(process_vector[1].products_[1].first.name_, "foo");
+    EXPECT_EQ(process_vector[1].products_[1].second, 1.0);
+    micm::ArrheniusRateConstant* ternary_rate_constant =
+        dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[1].rate_constant_.get());
+    auto& params = ternary_rate_constant->parameters_;
+    EXPECT_EQ(params.A_, 32.1);
+    EXPECT_EQ(params.B_, -2.3);
+    EXPECT_EQ(params.C_, 102.3);
+    EXPECT_EQ(params.D_, 63.4);
+    EXPECT_EQ(params.E_, -1.3);
+  }
+
+  // third reaction
+  {
+    EXPECT_EQ(process_vector[2].reactants_.size(), 2);
+    EXPECT_EQ(process_vector[2].reactants_[0].name_, "bar");
+    EXPECT_EQ(process_vector[2].reactants_[1].name_, "baz");
+    EXPECT_EQ(process_vector[2].products_.size(), 2);
+    EXPECT_EQ(process_vector[2].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[2].products_[0].second, 0.5);
+    EXPECT_EQ(process_vector[2].products_[1].first.name_, "foo");
+    EXPECT_EQ(process_vector[2].products_[1].second, 1.0);
+    micm::ArrheniusRateConstant* ternary_rate_constant =
+        dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[2].rate_constant_.get());
+    auto& params = ternary_rate_constant->parameters_;
+    EXPECT_EQ(params.A_, 32.1);
+    EXPECT_EQ(params.B_, -2.3);
+    EXPECT_EQ(params.C_, -1 * 2e23 / BOLTZMANN_CONSTANT);
+    EXPECT_EQ(params.D_, 63.4);
+    EXPECT_EQ(params.E_, -1.3);
+  }
+}
+
+TEST(ArrheniusConfig, DetectsNonstandardKeys)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/contains_nonstandard_key");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(ArrheniusConfig, DetectsNonstandardProductCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/nonstandard_product_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(ArrheniusConfig, DetectsNonstandardReactantCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/nonstandard_reactant_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
diff --git a/test/unit/configure/process/test_surface_camp_config.cpp b/test/unit/configure/process/test_surface_camp_config.cpp
new file mode 100644
index 000000000..b85e84a4d
--- /dev/null
+++ b/test/unit/configure/process/test_surface_camp_config.cpp
@@ -0,0 +1,82 @@
+#include <gtest/gtest.h>
+
+#include <micm/configure/camp_config.hpp>
+
+TEST(SurfaceConfig, DetectsInvalidConfig)
+{
+  micm::SolverConfig solver_config;
+
+  // Read and parse the configure files
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/surface/missing_reactants");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+  status = solver_config.ReadAndParse("./unit_configs/process/surface/missing_products");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+  status = solver_config.ReadAndParse("./unit_configs/process/surface/missing_MUSICA_name");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+}
+
+TEST(SurfaceConfig, ParseConfig)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/surface/valid");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+
+  micm::SolverParameters solver_params = solver_config.GetSolverParams();
+
+  auto& process_vector = solver_params.processes_;
+
+  // first reaction
+  {
+    EXPECT_EQ(process_vector[0].reactants_.size(), 1);
+    EXPECT_EQ(process_vector[0].reactants_[0].name_, "foo");
+    EXPECT_EQ(process_vector[0].products_.size(), 2);
+    EXPECT_EQ(process_vector[0].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[0].products_[0].second, 1.0);
+    EXPECT_EQ(process_vector[0].products_[1].first.name_, "baz");
+    EXPECT_EQ(process_vector[0].products_[1].second, 3.2);
+    micm::SurfaceRateConstant* surface_rate_constant =
+        dynamic_cast<micm::SurfaceRateConstant*>(process_vector[0].rate_constant_.get());
+    EXPECT_EQ(surface_rate_constant->SizeCustomParameters(), 2);
+    EXPECT_EQ(surface_rate_constant->CustomParameters()[0], "SURF.kfoo.effective radius [m]");
+    EXPECT_EQ(surface_rate_constant->CustomParameters()[1], "SURF.kfoo.particle number concentration [# m-3]");
+    EXPECT_EQ(surface_rate_constant->parameters_.reaction_probability_, 1.0);
+    EXPECT_EQ(surface_rate_constant->diffusion_coefficient_, 2.3e-4);
+    EXPECT_EQ(surface_rate_constant->mean_free_speed_factor_, 8.0 * GAS_CONSTANT / (M_PI * 0.123));
+  }
+
+  // second reaction
+  {
+    EXPECT_EQ(process_vector[1].reactants_.size(), 1);
+    EXPECT_EQ(process_vector[1].reactants_[0].name_, "bar");
+    EXPECT_EQ(process_vector[1].products_.size(), 2);
+    EXPECT_EQ(process_vector[1].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[1].products_[0].second, 0.5);
+    EXPECT_EQ(process_vector[1].products_[1].first.name_, "foo");
+    EXPECT_EQ(process_vector[1].products_[1].second, 1.0);
+    micm::SurfaceRateConstant* surface_rate_constant =
+        dynamic_cast<micm::SurfaceRateConstant*>(process_vector[1].rate_constant_.get());
+    EXPECT_EQ(surface_rate_constant->SizeCustomParameters(), 2);
+    EXPECT_EQ(surface_rate_constant->CustomParameters()[0], "SURF.kbar.effective radius [m]");
+    EXPECT_EQ(surface_rate_constant->CustomParameters()[1], "SURF.kbar.particle number concentration [# m-3]");
+    EXPECT_EQ(surface_rate_constant->parameters_.reaction_probability_, 0.5);
+    EXPECT_EQ(surface_rate_constant->diffusion_coefficient_, 0.4e-5);
+    EXPECT_EQ(surface_rate_constant->mean_free_speed_factor_, 8.0 * GAS_CONSTANT / (M_PI * 0.321));
+  }
+}
+
+TEST(SurfaceConfig, DetectsNonstandardKeys)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/surface/contains_nonstandard_key");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(SurfaceConfig, DetectsNonstandardProductCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/surface/nonstandard_product_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}

From 27f2d26569d857ce6d54ef2aacbb653468f16e26 Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 19:04:06 -0600
Subject: [PATCH 190/318] Fixed ParseEmission default yield.

---
 include/micm/configure/camp_config.hpp | 8 ++++++--
 1 file changed, 6 insertions(+), 2 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 3744e780a..1a54eec79 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -145,6 +145,8 @@ namespace micm
           config_file = config_path;
         }
 
+        std::cout << "config_file " << config_file << std::endl;
+
         // The CAMP file list
         std::vector<std::filesystem::path> camp_files;
 
@@ -467,7 +469,7 @@ namespace micm
         std::string species = object["species"].get<std::string>();
         json reactants_object{};
         json products_object{};
-        products_object[species] = { { "YIELD", 1.0 } };
+        products_object[species] = { { "yield", 1.0 } };
 
         auto reactants = ParseReactants(reactants_object);
         auto products = ParseProducts(products_object);
@@ -905,6 +907,8 @@ namespace micm
       // starting with __
       // anything else is reported as an error so that typos are caught, specifically for optional keys
 
+      std::cout << object.dump(4) << std::endl;
+
       std::vector<std::string> sorted_object_keys;
       for (auto& [key, value] : object.items())
         sorted_object_keys.push_back(key);
@@ -944,7 +948,7 @@ namespace micm
       {
         if (!key.starts_with("__"))
         {
-          std::cerr << key << std::endl;
+          std::cerr << "non-standard key " << key << std::endl;
           return ConfigParseStatus::ContainsNonStandardKey;
         }
       }

From 59f479fbf3036a8d9abc13e3931def14859c4d44 Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 19:38:02 -0600
Subject: [PATCH 191/318] Ignore null objects in ValidateSchema.

---
 include/micm/configure/camp_config.hpp | 17 ++++++++++++-----
 1 file changed, 12 insertions(+), 5 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 1a54eec79..54f814654 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -190,7 +190,11 @@ namespace micm
           {
             for (const auto& object : config_subset[CAMP_DATA])
             {
-              objects.push_back(object);
+              if (!object.is_null())
+              {
+                // std::cout << object.dump(4) << std::endl;
+                objects.push_back(object);
+              }
             }
           }
           else
@@ -199,7 +203,6 @@ namespace micm
           }
         }
 
-
         // Clear vectors and maps
         species_arr_.clear();
         user_defined_rate_arr_.clear();
@@ -245,8 +248,8 @@ namespace micm
           std::string type = object[TYPE].get<std::string>();
 
           // debug statements
-          // std::cout << type << std::endl;
-          // std::cout << object.dump(4) << std::endl;
+          std::cout << type << std::endl;
+          std::cout << object.dump(4) << std::endl;
 
           if (type == "CHEM_SPEC")
           {
@@ -907,7 +910,11 @@ namespace micm
       // starting with __
       // anything else is reported as an error so that typos are caught, specifically for optional keys
 
-      std::cout << object.dump(4) << std::endl;
+      std::cout << "ValidateSchema object " << object.dump(4) << std::endl;
+      if (object.begin().value().is_null())
+      {
+        return ConfigParseStatus::Success;
+      }
 
       std::vector<std::string> sorted_object_keys;
       for (auto& [key, value] : object.items())

From d8fb1be682b763ee0be9b97cdc0596343d83693a Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 19:45:29 -0600
Subject: [PATCH 192/318] Restored Arrhenius check for mutually exclusive
 option.

---
 include/micm/configure/camp_config.hpp | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 54f814654..84f8435ca 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -586,6 +586,11 @@ namespace micm
         }
         if (object.contains("Ea"))
         {
+        if (parameters.C_ != 0)
+        {
+          std::cerr << "Ea is specified when C is also specified for an Arrhenius reaction. Pick one." << std::endl;
+          return ConfigParseStatus::MutuallyExclusiveOption;
+        }
           // Calculate 'C' using 'Ea'
           parameters.C_ = -1 * object["Ea"].get<double>() / BOLTZMANN_CONSTANT;
         }

From 22e1b6cfeb60abb585350248706116c5ae4a1ffa Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 23:01:26 -0600
Subject: [PATCH 193/318] Save.

---
 include/micm/configure/camp_config.hpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 84f8435ca..f522451ac 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -916,7 +916,7 @@ namespace micm
       // anything else is reported as an error so that typos are caught, specifically for optional keys
 
       std::cout << "ValidateSchema object " << object.dump(4) << std::endl;
-      if (object.begin().value().is_null())
+      if (!object.empty() && object.begin().value().is_null())
       {
         return ConfigParseStatus::Success;
       }

From a05079f33b2c0a716e2796a7cb883493fc7623c8 Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Thu, 26 Oct 2023 23:11:16 -0600
Subject: [PATCH 194/318] Added clang fix.

---
 CMakeLists.txt | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 5ea8bc748..8f37ccac5 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -94,3 +94,9 @@ if(PROJECT_IS_TOP_LEVEL)
 endif()
 
 ################################################################################
+
+# on ubuntu with clang, an incorrect version of the c++ standard library was being linked
+if (${CMAKE_HOST_SYSTEM_NAME} MATCHES "Linux" AND "${CMAKE_CXX_COMPILER_ID}" STREQUAL "Clang")
+    # If the compiler is Clang, use libc++
+    set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -stdlib=libc++")
+endif()

From cb4c6181bb4b08e6371e52af86e52c080dc2d07d Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Fri, 27 Oct 2023 06:48:19 -0600
Subject: [PATCH 195/318] Use complete unit test suite for camp_config.

---
 include/micm/configure/camp_config.hpp        |   9 +-
 test/unit/configure/process/CMakeLists.txt    |   7 +
 .../process/test_arrhenius_config.cpp         |   2 +-
 .../process/test_branched_camp_config.cpp     | 131 ++++++++++++++++++
 .../process/test_emission_camp_config.cpp     |  58 ++++++++
 .../test_first_order_loss_camp_config.cpp     |  57 ++++++++
 .../process/test_photolysis_camp_config.cpp   |  82 +++++++++++
 ...ernary_chemical_activation_camp_config.cpp | 101 ++++++++++++++
 .../process/test_troe_camp_config.cpp         |  97 +++++++++++++
 .../process/test_tunneling_camp_config.cpp    |  87 ++++++++++++
 10 files changed, 626 insertions(+), 5 deletions(-)
 create mode 100644 test/unit/configure/process/test_branched_camp_config.cpp
 create mode 100644 test/unit/configure/process/test_emission_camp_config.cpp
 create mode 100644 test/unit/configure/process/test_first_order_loss_camp_config.cpp
 create mode 100644 test/unit/configure/process/test_photolysis_camp_config.cpp
 create mode 100644 test/unit/configure/process/test_ternary_chemical_activation_camp_config.cpp
 create mode 100644 test/unit/configure/process/test_troe_camp_config.cpp
 create mode 100644 test/unit/configure/process/test_tunneling_camp_config.cpp

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index f522451ac..2d05cd1aa 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -192,7 +192,6 @@ namespace micm
             {
               if (!object.is_null())
               {
-                // std::cout << object.dump(4) << std::endl;
                 objects.push_back(object);
               }
             }
@@ -248,8 +247,8 @@ namespace micm
           std::string type = object[TYPE].get<std::string>();
 
           // debug statements
-          std::cout << type << std::endl;
-          std::cout << object.dump(4) << std::endl;
+          // std::cout << type << std::endl;
+          // std::cout << object.dump(4) << std::endl;
 
           if (type == "CHEM_SPEC")
           {
@@ -915,7 +914,9 @@ namespace micm
       // starting with __
       // anything else is reported as an error so that typos are caught, specifically for optional keys
 
-      std::cout << "ValidateSchema object " << object.dump(4) << std::endl;
+      // debug statement
+      // std::cout << "ValidateSchema object " << object.dump(4) << std::endl;
+
       if (!object.empty() && object.begin().value().is_null())
       {
         return ConfigParseStatus::Success;
diff --git a/test/unit/configure/process/CMakeLists.txt b/test/unit/configure/process/CMakeLists.txt
index a0e1f69b8..4043124d2 100644
--- a/test/unit/configure/process/CMakeLists.txt
+++ b/test/unit/configure/process/CMakeLists.txt
@@ -17,4 +17,11 @@ create_standard_test(NAME troe_config SOURCES test_troe_config.cpp)
 create_standard_test(NAME tunneling_config SOURCES test_tunneling_config.cpp)
 
 create_standard_test(NAME arrhenius_camp_config SOURCES test_arrhenius_camp_config.cpp)
+create_standard_test(NAME branched_camp_config SOURCES test_branched_camp_config.cpp)
+create_standard_test(NAME emission_camp_config SOURCES test_emission_camp_config.cpp)
+create_standard_test(NAME first_order_loss_camp_config SOURCES test_first_order_loss_camp_config.cpp)
+create_standard_test(NAME photolysis_camp_config SOURCES test_photolysis_camp_config.cpp)
 create_standard_test(NAME surface_camp_config SOURCES test_surface_camp_config.cpp)
+create_standard_test(NAME ternary_chemical_activation_camp_config SOURCES test_ternary_chemical_activation_camp_config.cpp)
+create_standard_test(NAME troe_camp_config SOURCES test_troe_camp_config.cpp)
+create_standard_test(NAME tunneling_camp_config SOURCES test_tunneling_camp_config.cpp)
diff --git a/test/unit/configure/process/test_arrhenius_config.cpp b/test/unit/configure/process/test_arrhenius_config.cpp
index d2ab313eb..65837f22e 100644
--- a/test/unit/configure/process/test_arrhenius_config.cpp
+++ b/test/unit/configure/process/test_arrhenius_config.cpp
@@ -110,4 +110,4 @@ TEST(ArrheniusConfig, DetectsNonstandardReactantCoefficient)
 
   micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/nonstandard_reactant_coef");
   EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
\ No newline at end of file
+}
diff --git a/test/unit/configure/process/test_branched_camp_config.cpp b/test/unit/configure/process/test_branched_camp_config.cpp
new file mode 100644
index 000000000..225b1a441
--- /dev/null
+++ b/test/unit/configure/process/test_branched_camp_config.cpp
@@ -0,0 +1,131 @@
+#include <gtest/gtest.h>
+
+#include <micm/configure/camp_config.hpp>
+
+TEST(BranchedConfig, DetectsInvalidConfig)
+{
+  micm::SolverConfig solver_config;
+
+  // Read and parse the configure files
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/branched/missing_reactants");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+  status = solver_config.ReadAndParse("./unit_configs/process/branched/missing_alkoxy_products");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+  status = solver_config.ReadAndParse("./unit_configs/process/branched/missing_nitrate_products");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+}
+
+TEST(BranchedConfig, ParseConfig)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/branched/valid");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+
+  micm::SolverParameters solver_params = solver_config.GetSolverParams();
+
+  auto& process_vector = solver_params.processes_;
+  EXPECT_EQ(process_vector.size(), 4);
+
+  // first reaction
+  {
+    EXPECT_EQ(process_vector[0].reactants_.size(), 3);
+    EXPECT_EQ(process_vector[0].reactants_[0].name_, "foo");
+    EXPECT_EQ(process_vector[0].reactants_[1].name_, "quz");
+    EXPECT_EQ(process_vector[0].reactants_[2].name_, "quz");
+    EXPECT_EQ(process_vector[0].products_.size(), 2);
+    EXPECT_EQ(process_vector[0].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[0].products_[0].second, 1.0);
+    EXPECT_EQ(process_vector[0].products_[1].first.name_, "baz");
+    EXPECT_EQ(process_vector[0].products_[1].second, 3.2);
+    micm::BranchedRateConstant* branched_rate_constant =
+        dynamic_cast<micm::BranchedRateConstant*>(process_vector[0].rate_constant_.get());
+    auto& params = branched_rate_constant->parameters_;
+    EXPECT_EQ(params.X_, 12.3);
+    EXPECT_EQ(params.Y_, 42.3);
+    EXPECT_EQ(params.a0_, 1.0e-5);
+    EXPECT_EQ(params.n_, 3);
+    EXPECT_EQ(params.branch_, micm::BranchedRateConstantParameters::Branch::Alkoxy);
+  }
+  {
+    EXPECT_EQ(process_vector[1].reactants_.size(), 3);
+    EXPECT_EQ(process_vector[1].reactants_[0].name_, "foo");
+    EXPECT_EQ(process_vector[1].reactants_[1].name_, "quz");
+    EXPECT_EQ(process_vector[1].reactants_[2].name_, "quz");
+    EXPECT_EQ(process_vector[1].products_.size(), 1);
+    EXPECT_EQ(process_vector[1].products_[0].first.name_, "quz");
+    EXPECT_EQ(process_vector[1].products_[0].second, 1.0);
+    micm::BranchedRateConstant* branched_rate_constant =
+        dynamic_cast<micm::BranchedRateConstant*>(process_vector[1].rate_constant_.get());
+    auto& params = branched_rate_constant->parameters_;
+    EXPECT_EQ(params.X_, 12.3);
+    EXPECT_EQ(params.Y_, 42.3);
+    EXPECT_EQ(params.a0_, 1.0e-5);
+    EXPECT_EQ(params.n_, 3);
+    EXPECT_EQ(params.branch_, micm::BranchedRateConstantParameters::Branch::Nitrate);
+  }
+
+  // second reaction
+  {
+    EXPECT_EQ(process_vector[2].reactants_.size(), 2);
+    EXPECT_EQ(process_vector[2].reactants_[0].name_, "bar");
+    EXPECT_EQ(process_vector[2].reactants_[1].name_, "baz");
+    EXPECT_EQ(process_vector[2].products_.size(), 1);
+    EXPECT_EQ(process_vector[2].products_[0].first.name_, "baz");
+    EXPECT_EQ(process_vector[2].products_[0].second, 1.0);
+    micm::BranchedRateConstant* branched_rate_constant =
+        dynamic_cast<micm::BranchedRateConstant*>(process_vector[2].rate_constant_.get());
+    auto& params = branched_rate_constant->parameters_;
+    EXPECT_EQ(params.X_, 0.32);
+    EXPECT_EQ(params.Y_, 2.3e8);
+    EXPECT_EQ(params.a0_, 0.423);
+    EXPECT_EQ(params.n_, 6);
+    EXPECT_EQ(params.branch_, micm::BranchedRateConstantParameters::Branch::Alkoxy);
+  }
+  {
+    EXPECT_EQ(process_vector[3].reactants_.size(), 2);
+    EXPECT_EQ(process_vector[3].reactants_[0].name_, "bar");
+    EXPECT_EQ(process_vector[3].reactants_[1].name_, "baz");
+    EXPECT_EQ(process_vector[3].products_.size(), 2);
+    EXPECT_EQ(process_vector[3].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[3].products_[0].second, 0.5);
+    EXPECT_EQ(process_vector[3].products_[1].first.name_, "foo");
+    EXPECT_EQ(process_vector[3].products_[1].second, 1.0);
+    micm::BranchedRateConstant* branched_rate_constant =
+        dynamic_cast<micm::BranchedRateConstant*>(process_vector[3].rate_constant_.get());
+    auto& params = branched_rate_constant->parameters_;
+    EXPECT_EQ(params.X_, 0.32);
+    EXPECT_EQ(params.Y_, 2.3e8);
+    EXPECT_EQ(params.a0_, 0.423);
+    EXPECT_EQ(params.n_, 6);
+    EXPECT_EQ(params.branch_, micm::BranchedRateConstantParameters::Branch::Nitrate);
+  }
+}
+
+TEST(BranchedConfig, DetectsNonstandardKeys)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/branched/contains_nonstandard_key");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(BranchedConfig, DetectsNonstandardProductCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status =
+      solver_config.ReadAndParse("./unit_configs/process/branched/nonstandard_alkoxy_product_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+
+  status = solver_config.ReadAndParse("./unit_configs/process/branched/nonstandard_nitrate_product_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(BranchedConfig, DetectsNonstandardReactantCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/branched/nonstandard_reactant_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
diff --git a/test/unit/configure/process/test_emission_camp_config.cpp b/test/unit/configure/process/test_emission_camp_config.cpp
new file mode 100644
index 000000000..e820f54d0
--- /dev/null
+++ b/test/unit/configure/process/test_emission_camp_config.cpp
@@ -0,0 +1,58 @@
+#include <gtest/gtest.h>
+
+#include <micm/configure/camp_config.hpp>
+
+TEST(EmissionConfig, DetectsInvalidConfig)
+{
+  micm::SolverConfig solver_config;
+
+  // Read and parse the configure files
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/emission/missing_products");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+  status = solver_config.ReadAndParse("./unit_configs/process/emission/missing_MUSICA_name");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+}
+
+TEST(EmissionConfig, ParseConfig)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/emission/valid");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+
+  micm::SolverParameters solver_params = solver_config.GetSolverParams();
+
+  auto& process_vector = solver_params.processes_;
+
+  // first reaction
+  {
+    EXPECT_EQ(process_vector[0].reactants_.size(), 0);
+    EXPECT_EQ(process_vector[0].products_.size(), 1);
+    EXPECT_EQ(process_vector[0].products_[0].first.name_, "foo");
+    EXPECT_EQ(process_vector[0].products_[0].second, 1.0);
+    micm::UserDefinedRateConstant* emission_rate_constant =
+        dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[0].rate_constant_.get());
+    EXPECT_EQ(emission_rate_constant->SizeCustomParameters(), 1);
+    EXPECT_EQ(emission_rate_constant->CustomParameters()[0], "EMIS.foo");
+  }
+
+  // second reaction
+  {
+    EXPECT_EQ(process_vector[1].reactants_.size(), 0);
+    EXPECT_EQ(process_vector[1].products_.size(), 1);
+    EXPECT_EQ(process_vector[1].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[1].products_[0].second, 1.0);
+    micm::UserDefinedRateConstant* emission_rate_constant =
+        dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[1].rate_constant_.get());
+    EXPECT_EQ(emission_rate_constant->SizeCustomParameters(), 1);
+    EXPECT_EQ(emission_rate_constant->CustomParameters()[0], "EMIS.bar");
+  }
+}
+
+TEST(EmissionConfig, DetectsNonstandardKeys)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/emission/contains_nonstandard_key");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
diff --git a/test/unit/configure/process/test_first_order_loss_camp_config.cpp b/test/unit/configure/process/test_first_order_loss_camp_config.cpp
new file mode 100644
index 000000000..300b2561b
--- /dev/null
+++ b/test/unit/configure/process/test_first_order_loss_camp_config.cpp
@@ -0,0 +1,57 @@
+#include <gtest/gtest.h>
+
+#include <micm/configure/camp_config.hpp>
+
+TEST(FirstOrderLossConfig, DetectsInvalidConfig)
+{
+  micm::SolverConfig solver_config;
+
+  // Read and parse the configure files
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/first_order_loss/missing_reactants");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+  status = solver_config.ReadAndParse("./unit_configs/process/first_order_loss/missing_MUSICA_name");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+}
+
+TEST(FirstOrderLossConfig, ParseConfig)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/first_order_loss/valid");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+
+  micm::SolverParameters solver_params = solver_config.GetSolverParams();
+
+  auto& process_vector = solver_params.processes_;
+
+  // first reaction
+  {
+    EXPECT_EQ(process_vector[0].reactants_.size(), 1);
+    EXPECT_EQ(process_vector[0].reactants_[0].name_, "foo");
+    EXPECT_EQ(process_vector[0].products_.size(), 0);
+    micm::UserDefinedRateConstant* first_order_loss_rate_constant =
+        dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[0].rate_constant_.get());
+    EXPECT_EQ(first_order_loss_rate_constant->SizeCustomParameters(), 1);
+    EXPECT_EQ(first_order_loss_rate_constant->CustomParameters()[0], "LOSS.foo");
+  }
+
+  // second reaction
+  {
+    EXPECT_EQ(process_vector[1].reactants_.size(), 1);
+    EXPECT_EQ(process_vector[1].reactants_[0].name_, "bar");
+    EXPECT_EQ(process_vector[1].products_.size(), 0);
+    micm::UserDefinedRateConstant* first_order_loss_rate_constant =
+        dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[1].rate_constant_.get());
+    EXPECT_EQ(first_order_loss_rate_constant->SizeCustomParameters(), 1);
+    EXPECT_EQ(first_order_loss_rate_constant->CustomParameters()[0], "LOSS.bar");
+  }
+}
+
+TEST(FirstOrderLossConfig, DetectsNonstandardKeys)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status =
+      solver_config.ReadAndParse("./unit_configs/process/first_order_loss/contains_nonstandard_key");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
diff --git a/test/unit/configure/process/test_photolysis_camp_config.cpp b/test/unit/configure/process/test_photolysis_camp_config.cpp
new file mode 100644
index 000000000..4a303d1e1
--- /dev/null
+++ b/test/unit/configure/process/test_photolysis_camp_config.cpp
@@ -0,0 +1,82 @@
+#include <gtest/gtest.h>
+
+#include <micm/configure/camp_config.hpp>
+
+TEST(PhotolysisConfig, DetectsInvalidConfig)
+{
+  micm::SolverConfig solver_config;
+
+  // Read and parse the configure files
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/photolysis/missing_reactants");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+  status = solver_config.ReadAndParse("./unit_configs/process/photolysis/missing_products");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+  status = solver_config.ReadAndParse("./unit_configs/process/photolysis/missing_MUSICA_name");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+}
+
+TEST(PhotolysisConfig, ParseConfig)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/photolysis/valid");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+
+  micm::SolverParameters solver_params = solver_config.GetSolverParams();
+
+  auto& process_vector = solver_params.processes_;
+
+  // first reaction
+  {
+    EXPECT_EQ(process_vector[0].reactants_.size(), 1);
+    EXPECT_EQ(process_vector[0].reactants_[0].name_, "foo");
+    EXPECT_EQ(process_vector[0].products_.size(), 2);
+    EXPECT_EQ(process_vector[0].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[0].products_[0].second, 1.0);
+    EXPECT_EQ(process_vector[0].products_[1].first.name_, "baz");
+    EXPECT_EQ(process_vector[0].products_[1].second, 3.2);
+    micm::UserDefinedRateConstant* photo_rate_constant =
+        dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[0].rate_constant_.get());
+    EXPECT_EQ(photo_rate_constant->SizeCustomParameters(), 1);
+    EXPECT_EQ(photo_rate_constant->CustomParameters()[0], "PHOTO.jfoo");
+  }
+
+  // second reaction
+  {
+    EXPECT_EQ(process_vector[1].reactants_.size(), 1);
+    EXPECT_EQ(process_vector[1].reactants_[0].name_, "bar");
+    EXPECT_EQ(process_vector[1].products_.size(), 2);
+    EXPECT_EQ(process_vector[1].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[1].products_[0].second, 0.5);
+    EXPECT_EQ(process_vector[1].products_[1].first.name_, "foo");
+    EXPECT_EQ(process_vector[1].products_[1].second, 1.0);
+    micm::UserDefinedRateConstant* photo_rate_constant =
+        dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[1].rate_constant_.get());
+    EXPECT_EQ(photo_rate_constant->SizeCustomParameters(), 1);
+    EXPECT_EQ(photo_rate_constant->CustomParameters()[0], "PHOTO.jbar");
+  }
+}
+
+TEST(PhotolysisConfig, DetectsNonstandardKeys)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/photolysis/contains_nonstandard_key");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(PhotolysisConfig, DetectsNonstandardProductCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/photolysis/nonstandard_product_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(PhotolysisConfig, DetectsNonstandardReactantCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/photolysis/nonstandard_reactant_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
diff --git a/test/unit/configure/process/test_ternary_chemical_activation_camp_config.cpp b/test/unit/configure/process/test_ternary_chemical_activation_camp_config.cpp
new file mode 100644
index 000000000..64ad3ecd2
--- /dev/null
+++ b/test/unit/configure/process/test_ternary_chemical_activation_camp_config.cpp
@@ -0,0 +1,101 @@
+#include <gtest/gtest.h>
+
+#include <micm/configure/camp_config.hpp>
+
+TEST(TernaryChemicalActivationConfig, DetectsInvalidConfig)
+{
+  micm::SolverConfig solver_config;
+
+  // Read and parse the configure files
+  micm::ConfigParseStatus status =
+      solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/missing_reactants");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+  status = solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/missing_products");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+}
+
+TEST(TernaryChemicalActivationConfig, ParseConfig)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/valid");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+
+  micm::SolverParameters solver_params = solver_config.GetSolverParams();
+
+  auto& process_vector = solver_params.processes_;
+
+  // first reaction
+  {
+    EXPECT_EQ(process_vector[0].reactants_.size(), 3);
+    EXPECT_EQ(process_vector[0].reactants_[0].name_, "foo");
+    EXPECT_EQ(process_vector[0].reactants_[1].name_, "quz");
+    EXPECT_EQ(process_vector[0].reactants_[2].name_, "quz");
+    EXPECT_EQ(process_vector[0].products_.size(), 2);
+    EXPECT_EQ(process_vector[0].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[0].products_[0].second, 1.0);
+    EXPECT_EQ(process_vector[0].products_[1].first.name_, "baz");
+    EXPECT_EQ(process_vector[0].products_[1].second, 3.2);
+    micm::TernaryChemicalActivationRateConstant* ternary_rate_constant =
+        dynamic_cast<micm::TernaryChemicalActivationRateConstant*>(process_vector[0].rate_constant_.get());
+    auto& params = ternary_rate_constant->parameters_;
+    EXPECT_EQ(params.k0_A_, 1.0);
+    EXPECT_EQ(params.k0_B_, 0.0);
+    EXPECT_EQ(params.k0_C_, 0.0);
+    EXPECT_EQ(params.kinf_A_, 1.0);
+    EXPECT_EQ(params.kinf_B_, 0.0);
+    EXPECT_EQ(params.kinf_C_, 0.0);
+    EXPECT_EQ(params.Fc_, 0.6);
+    EXPECT_EQ(params.N_, 1.0);
+  }
+
+  // second reaction
+  {
+    EXPECT_EQ(process_vector[1].reactants_.size(), 2);
+    EXPECT_EQ(process_vector[1].reactants_[0].name_, "bar");
+    EXPECT_EQ(process_vector[1].reactants_[1].name_, "baz");
+    EXPECT_EQ(process_vector[1].products_.size(), 2);
+    EXPECT_EQ(process_vector[1].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[1].products_[0].second, 0.5);
+    EXPECT_EQ(process_vector[1].products_[1].first.name_, "foo");
+    EXPECT_EQ(process_vector[1].products_[1].second, 1.0);
+    micm::TernaryChemicalActivationRateConstant* ternary_rate_constant =
+        dynamic_cast<micm::TernaryChemicalActivationRateConstant*>(process_vector[1].rate_constant_.get());
+    auto& params = ternary_rate_constant->parameters_;
+    EXPECT_EQ(params.k0_A_, 32.1);
+    EXPECT_EQ(params.k0_B_, -2.3);
+    EXPECT_EQ(params.k0_C_, 102.3);
+    EXPECT_EQ(params.kinf_A_, 63.4);
+    EXPECT_EQ(params.kinf_B_, -1.3);
+    EXPECT_EQ(params.kinf_C_, 908.5);
+    EXPECT_EQ(params.Fc_, 1.3);
+    EXPECT_EQ(params.N_, 32.1);
+  }
+}
+
+TEST(TernaryChemicalActivationConfig, DetectsNonstandardKeys)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status =
+      solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/contains_nonstandard_key");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(TernaryChemicalActivationConfig, DetectsNonstandardProductCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status =
+      solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/nonstandard_product_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(TernaryChemicalActivationConfig, DetectsNonstandardReactantCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status =
+      solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
diff --git a/test/unit/configure/process/test_troe_camp_config.cpp b/test/unit/configure/process/test_troe_camp_config.cpp
new file mode 100644
index 000000000..99934568f
--- /dev/null
+++ b/test/unit/configure/process/test_troe_camp_config.cpp
@@ -0,0 +1,97 @@
+#include <gtest/gtest.h>
+
+#include <micm/configure/camp_config.hpp>
+
+TEST(TroeConfig, DetectsInvalidConfig)
+{
+  micm::SolverConfig solver_config;
+
+  // Read and parse the configure files
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/troe/missing_reactants");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+  status = solver_config.ReadAndParse("./unit_configs/process/troe/missing_products");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+}
+
+TEST(TroeConfig, ParseConfig)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/troe/valid");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+
+  micm::SolverParameters solver_params = solver_config.GetSolverParams();
+
+  auto& process_vector = solver_params.processes_;
+
+  // first reaction
+  {
+    EXPECT_EQ(process_vector[0].reactants_.size(), 3);
+    EXPECT_EQ(process_vector[0].reactants_[0].name_, "foo");
+    EXPECT_EQ(process_vector[0].reactants_[1].name_, "quz");
+    EXPECT_EQ(process_vector[0].reactants_[2].name_, "quz");
+    EXPECT_EQ(process_vector[0].products_.size(), 2);
+    EXPECT_EQ(process_vector[0].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[0].products_[0].second, 1.0);
+    EXPECT_EQ(process_vector[0].products_[1].first.name_, "baz");
+    EXPECT_EQ(process_vector[0].products_[1].second, 3.2);
+    micm::TroeRateConstant* ternary_rate_constant =
+        dynamic_cast<micm::TroeRateConstant*>(process_vector[0].rate_constant_.get());
+    auto& params = ternary_rate_constant->parameters_;
+    EXPECT_EQ(params.k0_A_, 1.0);
+    EXPECT_EQ(params.k0_B_, 0.0);
+    EXPECT_EQ(params.k0_C_, 0.0);
+    EXPECT_EQ(params.kinf_A_, 1.0);
+    EXPECT_EQ(params.kinf_B_, 0.0);
+    EXPECT_EQ(params.kinf_C_, 0.0);
+    EXPECT_EQ(params.Fc_, 0.6);
+    EXPECT_EQ(params.N_, 1.0);
+  }
+
+  // second reaction
+  {
+    EXPECT_EQ(process_vector[1].reactants_.size(), 2);
+    EXPECT_EQ(process_vector[1].reactants_[0].name_, "bar");
+    EXPECT_EQ(process_vector[1].reactants_[1].name_, "baz");
+    EXPECT_EQ(process_vector[1].products_.size(), 2);
+    EXPECT_EQ(process_vector[1].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[1].products_[0].second, 0.5);
+    EXPECT_EQ(process_vector[1].products_[1].first.name_, "foo");
+    EXPECT_EQ(process_vector[1].products_[1].second, 1.0);
+    micm::TroeRateConstant* ternary_rate_constant =
+        dynamic_cast<micm::TroeRateConstant*>(process_vector[1].rate_constant_.get());
+    auto& params = ternary_rate_constant->parameters_;
+    EXPECT_EQ(params.k0_A_, 32.1);
+    EXPECT_EQ(params.k0_B_, -2.3);
+    EXPECT_EQ(params.k0_C_, 102.3);
+    EXPECT_EQ(params.kinf_A_, 63.4);
+    EXPECT_EQ(params.kinf_B_, -1.3);
+    EXPECT_EQ(params.kinf_C_, 908.5);
+    EXPECT_EQ(params.Fc_, 1.3);
+    EXPECT_EQ(params.N_, 32.1);
+  }
+}
+
+TEST(TroeConfig, DetectsNonstandardKeys)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/troe/contains_nonstandard_key");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(TroeConfig, DetectsNonstandardProductCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/troe/nonstandard_product_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(TroeConfig, DetectsNonstandardReactantCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/troe/nonstandard_reactant_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
diff --git a/test/unit/configure/process/test_tunneling_camp_config.cpp b/test/unit/configure/process/test_tunneling_camp_config.cpp
new file mode 100644
index 000000000..726362336
--- /dev/null
+++ b/test/unit/configure/process/test_tunneling_camp_config.cpp
@@ -0,0 +1,87 @@
+#include <gtest/gtest.h>
+
+#include <micm/configure/camp_config.hpp>
+
+TEST(TunnelingConfig, DetectsInvalidConfig)
+{
+  micm::SolverConfig solver_config;
+
+  // Read and parse the configure files
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/tunneling/missing_reactants");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+  status = solver_config.ReadAndParse("./unit_configs/process/tunneling/missing_products");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+}
+
+TEST(TunnelingConfig, ParseConfig)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/tunneling/valid");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+
+  micm::SolverParameters solver_params = solver_config.GetSolverParams();
+
+  auto& process_vector = solver_params.processes_;
+
+  // first reaction
+  {
+    EXPECT_EQ(process_vector[0].reactants_.size(), 3);
+    EXPECT_EQ(process_vector[0].reactants_[0].name_, "foo");
+    EXPECT_EQ(process_vector[0].reactants_[1].name_, "quz");
+    EXPECT_EQ(process_vector[0].reactants_[2].name_, "quz");
+    EXPECT_EQ(process_vector[0].products_.size(), 2);
+    EXPECT_EQ(process_vector[0].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[0].products_[0].second, 1.0);
+    EXPECT_EQ(process_vector[0].products_[1].first.name_, "baz");
+    EXPECT_EQ(process_vector[0].products_[1].second, 3.2);
+    micm::TunnelingRateConstant* tunneling_rate_constant =
+        dynamic_cast<micm::TunnelingRateConstant*>(process_vector[0].rate_constant_.get());
+    auto& params = tunneling_rate_constant->parameters_;
+    EXPECT_EQ(params.A_, 1.0);
+    EXPECT_EQ(params.B_, 0.0);
+    EXPECT_EQ(params.C_, 0.0);
+  }
+
+  // second reaction
+  {
+    EXPECT_EQ(process_vector[1].reactants_.size(), 2);
+    EXPECT_EQ(process_vector[1].reactants_[0].name_, "bar");
+    EXPECT_EQ(process_vector[1].reactants_[1].name_, "baz");
+    EXPECT_EQ(process_vector[1].products_.size(), 2);
+    EXPECT_EQ(process_vector[1].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[1].products_[0].second, 0.5);
+    EXPECT_EQ(process_vector[1].products_[1].first.name_, "foo");
+    EXPECT_EQ(process_vector[1].products_[1].second, 1.0);
+    micm::TunnelingRateConstant* tunneling_rate_constant =
+        dynamic_cast<micm::TunnelingRateConstant*>(process_vector[1].rate_constant_.get());
+    auto& params = tunneling_rate_constant->parameters_;
+    EXPECT_EQ(params.A_, 32.1);
+    EXPECT_EQ(params.B_, -2.3);
+    EXPECT_EQ(params.C_, 102.3);
+  }
+}
+
+TEST(TunnelingConfig, DetectsNonstandardKeys)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/tunneling/contains_nonstandard_key");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(TunnelingConfig, DetectsNonstandardProductCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/nonstandard_product_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(TunnelingConfig, DetectsNonstandardReactantCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/nonstandard_reactant_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}

From 07d872ec5184675d34cf1c99d98b94e38c61d2ed Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Fri, 27 Oct 2023 10:34:12 -0500
Subject: [PATCH 196/318] jit tutorial example

---
 docs/source/user_guide/index.rst              |   1 +
 docs/source/user_guide/jit.rst                |  41 ++++
 include/micm/configure/solver_config.hpp      |  19 +-
 include/micm/util/matrix.hpp                  |   5 +
 include/micm/util/sparse_matrix.hpp           |   5 +
 include/micm/util/vector_matrix.hpp           |   5 +
 test/tutorial/CMakeLists.txt                  |   4 +
 .../configs/carbon_bond_5/config.json         |   1 +
 .../configs/carbon_bond_5/reactions.json      |   1 +
 .../configs/carbon_bond_5/species.json        |   1 +
 test/tutorial/test_jit_tutorial.cpp           | 188 ++++++++++++++++++
 11 files changed, 269 insertions(+), 2 deletions(-)
 create mode 100644 docs/source/user_guide/jit.rst
 create mode 100644 test/tutorial/configs/carbon_bond_5/config.json
 create mode 100644 test/tutorial/configs/carbon_bond_5/reactions.json
 create mode 100644 test/tutorial/configs/carbon_bond_5/species.json
 create mode 100644 test/tutorial/test_jit_tutorial.cpp

diff --git a/docs/source/user_guide/index.rst b/docs/source/user_guide/index.rst
index 7896b135a..064955a8b 100644
--- a/docs/source/user_guide/index.rst
+++ b/docs/source/user_guide/index.rst
@@ -47,3 +47,4 @@ If you would like to include the json examples, you must configure micm to build
    solver_configurations
    but_how_fast_is_it
    openmp
+   jit
diff --git a/docs/source/user_guide/jit.rst b/docs/source/user_guide/jit.rst
new file mode 100644
index 000000000..51a573db7
--- /dev/null
+++ b/docs/source/user_guide/jit.rst
@@ -0,0 +1,41 @@
+.. _JIT:
+
+A JIT-compiled solver
+=====================
+
+Solving a chemical mechanism is a computationally intensive task. There are many reasons for this such as
+multiple iterations by a solver to achieve an integration, stiff systems requiring internal substepping to 
+acheive a numerically stable solution, and cache misses, among others. 
+
+This tutorial focuses on alleviating the cache misses. A popular method for handling cache misses is to pre-compute the indices. 
+This method, which may be referred to as ahead-of-time (AOT) compilation, is used in applications such as KPP :cite:`Damian2002`.
+Pre-computed methods require code preprocessors and preclude runtime configurable software, which is a goal of micm.
+
+MICM uses just-in-time (JIT) compiled functions built with `LLVM JIT <https://llvm.org/docs/tutorial/BuildingAJIT1.html>`_ libraries
+to supply runtime-configurable chemistry to avoid cache misses in important chemistry functions.
+
+Up until now, a :cpp:class:`micm::RosenbrockSolver` has been used. This is a special class in micm which builds all
+of the componenets needed to solve chemistry in memory, including the forcing function and the jacobian. MICM
+also provides a :cpp:class:`micm::JitRosenbrockSolver` which builds and compiles several important chemistry functions at runtime.
+
+What are we JIT-compilng?
+-------------------------
+
+A list of compiled functions is below. How they are compiled and the ellided operations are beyond the scope of this tutorial, but you are free to inspect the source code yourself.
+
+- :cpp:func:`micm::RosenbrockSolver::AlphaMinusJacobian` is JIT compiled and called with :cpp:func:`micm::JitRosenbrockSolver::AlphaMinusJacobian`
+- :cpp:func:`micm::LuDecomposition::Decompose` is JIT compiled and called with :cpp:func:`micm::JitLuDecomposition::Decompose`
+- :cpp:func:`micm::LinearSolver::Factor` and :cpp:func:`micm::LinearSolver::Solve` are JIT compiled and called with :cpp:func:`micm::JitLinearSolver::Factor` and :cpp:func:`micm::JitLinearSolver::Solve`
+- :cpp:func:`micm::ProcessSet::AddForcingTerms` and :cpp:func:`micm::ProcessSet::AddJacobianTerms` are JIT compiled and called with :cpp:func:`micm::JitProcessSet::AddForcingTerms` and :cpp:func:`micm::JitProcessSet::AddJacobianTerms`
+
+So what does this gain me?
+--------------------------
+
+Runtime configuraiton of chemical mechanisms that are *fast*. Let's compare the speed of :cpp:class:`micm::RosenbrockSolver` 
+and the :cpp:class:`micm::JitRosenbrockSolver` classes applied to the same problem. We'll use this system.
+
+.. math::
+
+  A &\longrightarrow B, &k_{1, \mathrm{user\ defined}} \\
+  2B &\longrightarrow B + C, &k_{2, \mathrm{user\ defined}} \\
+  B + C &\longrightarrow A + C, \qquad &k_{3, \mathrm{user\ defined}} \\
diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 15f547eca..5f17f1727 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -434,8 +434,9 @@ namespace micm
       const std::string REACTANTS = "reactants";
       const std::string PRODUCTS = "products";
       const std::string MUSICA_NAME = "MUSICA name";
+      const std::string SCALING_FACTOR = "scaling_factor";
 
-      auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, {});
+      auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, {SCALING_FACTOR});
       if (status != ConfigParseStatus::Success)
       {
         return status;
@@ -453,6 +454,10 @@ namespace micm
       {
         return products.first;
       }
+        
+      if (object.contains(SCALING_FACTOR)){
+        std::cerr << "Scaling factor supplied to photolysis rate. This is not yet implemented." << std::endl;
+      }
 
       std::string name = "PHOTO." + object[MUSICA_NAME].get<std::string>();
 
@@ -767,8 +772,10 @@ namespace micm
     {
       const std::string SPECIES = "species";
       const std::string MUSICA_NAME = "MUSICA name";
+      const std::string PRODUCTS = "products";
+      const std::string SCALING_FACTOR = "scaling factor";
 
-      auto status = ValidateSchema(object, { "type", SPECIES, MUSICA_NAME }, {});
+      auto status = ValidateSchema(object, { "type", SPECIES, MUSICA_NAME }, {SCALING_FACTOR, PRODUCTS});
       if (status != ConfigParseStatus::Success)
       {
         return status;
@@ -788,6 +795,14 @@ namespace micm
       {
         return products.first;
       }
+        
+      if (object.contains(PRODUCTS)) {
+          std::cerr << "Emission contains products, presumably to record the integrated reaction rate. Ignoring for now" << std::endl;
+      }
+        
+      if (object.contains(SCALING_FACTOR)){
+        std::cerr << "Scaling factor supplied to emission rate. This is not yet implemented." << std::endl;
+      }
 
       std::string name = "EMIS." + object[MUSICA_NAME].get<std::string>();
 
diff --git a/include/micm/util/matrix.hpp b/include/micm/util/matrix.hpp
index fe98bc3a4..329f386d6 100644
--- a/include/micm/util/matrix.hpp
+++ b/include/micm/util/matrix.hpp
@@ -191,6 +191,11 @@ namespace micm
       return Proxy(*this, x * y_dim_, y_dim_);
     }
 
+    Matrix& operator=(T val) {
+      std::transform(data_.begin(), data_.end(), data_.begin(), [&](auto& _){ return val;});
+      return *this;
+    }
+
     void ForEach(const std::function<void(T &, T &)> f, Matrix &a)
     {
       auto a_iter = a.AsVector().begin();
diff --git a/include/micm/util/sparse_matrix.hpp b/include/micm/util/sparse_matrix.hpp
index fe4915a70..065c17be2 100644
--- a/include/micm/util/sparse_matrix.hpp
+++ b/include/micm/util/sparse_matrix.hpp
@@ -229,6 +229,11 @@ namespace micm
       return ProxyRow(*this, b);
     }
 
+    SparseMatrix& operator=(T val) {
+      std::transform(data_.begin(), data_.end(), data_.begin(), [&](auto& _){ return val;});
+      return *this;
+    }
+
     const std::vector<std::size_t>& RowStartVector() const
     {
       return row_start_;
diff --git a/include/micm/util/vector_matrix.hpp b/include/micm/util/vector_matrix.hpp
index a8507f6f9..7f0bc1fc4 100644
--- a/include/micm/util/vector_matrix.hpp
+++ b/include/micm/util/vector_matrix.hpp
@@ -212,6 +212,11 @@ namespace micm
       return Proxy(*this, std::floor(x / L), x % L, y_dim_);
     }
 
+    VectorMatrix& operator=(T val) {
+      std::transform(data_.begin(), data_.end(), data_.begin(), [&](auto& _){ return val;});
+      return *this;
+    }
+
     void ForEach(const std::function<void(T &, T &)> f, VectorMatrix &a)
     {
       auto this_iter = data_.begin();
diff --git a/test/tutorial/CMakeLists.txt b/test/tutorial/CMakeLists.txt
index 163a624a5..cac58994a 100644
--- a/test/tutorial/CMakeLists.txt
+++ b/test/tutorial/CMakeLists.txt
@@ -20,6 +20,10 @@ if(ENABLE_JSON)
   if(ENABLE_OPENMP)
     create_standard_test(NAME openmp_tutorial SOURCES test_openmp.cpp)
   endif()
+
+  if(ENABLE_LLVM)
+    create_standard_test(NAME jit_tutorial SOURCES test_jit_tutorial.cpp)
+  endif()
 endif()
 
 ################################################################################
diff --git a/test/tutorial/configs/carbon_bond_5/config.json b/test/tutorial/configs/carbon_bond_5/config.json
new file mode 100644
index 000000000..03622f157
--- /dev/null
+++ b/test/tutorial/configs/carbon_bond_5/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json"]}
\ No newline at end of file
diff --git a/test/tutorial/configs/carbon_bond_5/reactions.json b/test/tutorial/configs/carbon_bond_5/reactions.json
new file mode 100644
index 000000000..617f98810
--- /dev/null
+++ b/test/tutorial/configs/carbon_bond_5/reactions.json
@@ -0,0 +1 @@
+{"camp-data": [{"type": "MECHANISM", "name": "music box interactive configuration", "reactions": [{"type": "PHOTOLYSIS", "scaling_factor": 1, "MUSICA name": "NO2", "reactants": {"NO2": {}}, "products": {"NO": {"yield": 1}, "O": {"yield": 1}, "irr__0": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 6e-34, "Ea": 0, "B": -2.4, "D": 300, "E": 0, "reactants": {"O": {"qty": 1}, "O2": {"qty": 1}, "M": {"qty": 1}}, "products": {"O3": {"yield": 1}, "M": {"yield": 1}, "irr__1": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 3e-12, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"O3": {"qty": 1}, "NO": {"qty": 1}}, "products": {"NO2": {"yield": 1}, "irr__2": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 5.6e-12, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"O": {"qty": 1}, "NO2": {"qty": 1}}, "products": {"NO": {"yield": 1}, "irr__3": {"yield": 1}}}, {"type": "TROE", "k0_A": 2.5e-31, "k0_B": -1.8, "k0_C": 0, "kinf_A": 2.2e-11, "kinf_B": -0.7, "kinf_C": 0, "Fc": 0.6, "N": 1, "reactants": {"O": {"qty": 1}, "NO2": {"qty": 1}}, "products": {"NO3": {"yield": 1}, "irr__4": {"yield": 1}}}, {"type": "TROE", "k0_A": 9e-32, "k0_B": -1.5, "k0_C": 0, "kinf_A": 3e-11, "kinf_B": 0, "kinf_C": 0, "Fc": 0.6, "N": 1, "reactants": {"O": {"qty": 1}, "NO": {"qty": 1}}, "products": {"NO2": {"yield": 1}, "irr__5": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 1.2e-13, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"NO2": {"qty": 1}, "O3": {"qty": 1}}, "products": {"NO3": {"yield": 1}, "irr__6": {"yield": 1}}}, {"type": "PHOTOLYSIS", "scaling_factor": 1, "MUSICA name": "O3->O3P", "reactants": {"O3": {}}, "products": {"O": {"yield": 1}, "irr__7": {"yield": 1}}}, {"type": "PHOTOLYSIS", "scaling_factor": 1, "MUSICA name": "O3->O1D", "reactants": {"O3": {}}, "products": {"O1D": {"yield": 1}, "irr__8": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 2.1e-11, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"O1D": {"qty": 1}, "M": {"qty": 1}}, "products": {"O": {"yield": 1}, "M": {"yield": 1}, "irr__9": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 2.2e-10, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"O1D": {"qty": 1}, "H2O": {"qty": 1}}, "products": {"OH": {"yield": 2}, "irr__10": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 1.7e-12, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"O3": {"qty": 1}, "OH": {"qty": 1}}, "products": {"HO2": {"yield": 1}, "irr__11": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 1e-14, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"O3": {"qty": 1}, "HO2": {"qty": 1}}, "products": {"OH": {"yield": 1}, "irr__12": {"yield": 1}}}, {"type": "PHOTOLYSIS", "scaling_factor": 1, "MUSICA name": "NO3->NO2", "reactants": {"NO3": {}}, "products": {"NO2": {"yield": 1}, "O": {"yield": 1}, "irr__13": {"yield": 1}}}, {"type": "PHOTOLYSIS", "scaling_factor": 1, "MUSICA name": "NO3->NO", "reactants": {"NO3": {}}, "products": {"NO": {"yield": 1}, "irr__14": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 1.5e-11, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"NO3": {"qty": 1}, "NO": {"qty": 1}}, "products": {"NO2": {"yield": 2}, "irr__15": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 4.5e-14, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"NO3": {"qty": 1}, "NO2": {"qty": 1}}, "products": {"NO": {"yield": 1}, "NO2": {"yield": 1}, "irr__16": {"yield": 1}}}, {"type": "TROE", "k0_A": 2e-30, "k0_B": -4.4, "k0_C": 0, "kinf_A": 1.4e-12, "kinf_B": -0.7, "kinf_C": 0, "Fc": 0.6, "N": 1, "reactants": {"NO3": {"qty": 1}, "NO2": {"qty": 1}}, "products": {"N2O5": {"yield": 1}, "irr__17": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 2.5e-22, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"N2O5": {"qty": 1}, "H2O": {"qty": 1}}, "products": {"HNO3": {"yield": 2}, "irr__18": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 1.8e-39, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"N2O5": {"qty": 1}, "H2O": {"qty": 2}}, "products": {"HNO3": {"yield": 2}, "irr__19": {"yield": 1}}}, {"type": "TROE", "k0_A": 0.001, "k0_B": -3.5, "k0_C": -11000, "kinf_A": 970000000000000, "kinf_B": 0.1, "kinf_C": -11080, "Fc": 0.45, "N": 1, "reactants": {"N2O5": {"qty": 1}}, "products": {"NO3": {"yield": 1}, "NO2": {"yield": 1}, "irr__20": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 3.3e-39, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"NO": {"qty": 2}, "O2": {"qty": 1}}, "products": {"NO2": {"yield": 2}, "irr__21": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 5e-40, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"NO": {"qty": 1}, "NO2": {"qty": 1}, "H2O": {"qty": 1}}, "products": {"HONO": {"yield": 2}, "irr__22": {"yield": 1}}}, {"type": "TROE", "k0_A": 7e-31, "k0_B": -2.6, "k0_C": 0, "kinf_A": 3.6e-11, "kinf_B": -0.1, "kinf_C": 0, "Fc": 0.6, "N": 1, "reactants": {"NO": {"qty": 1}, "OH": {"qty": 1}}, "products": {"HONO": {"yield": 1}, "irr__23": {"yield": 1}}}, {"type": "PHOTOLYSIS", "scaling_factor": 1, "MUSICA name": "HONO", "reactants": {"HONO": {}}, "products": {"NO": {"yield": 1}, "OH": {"yield": 1}, "irr__24": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 1.8e-11, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"OH": {"qty": 1}, "HONO": {"qty": 1}}, "products": {"NO2": {"yield": 1}, "irr__25": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 1e-20, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"HONO": {"qty": 2}}, "products": {"NO": {"yield": 1}, "NO2": {"yield": 1}, "irr__26": {"yield": 1}}}, {"type": "TROE", "k0_A": 2e-30, "k0_B": -3, "k0_C": 0, "kinf_A": 2.5e-11, "kinf_B": 0, "kinf_C": 0, "Fc": 0.6, "N": 1, "reactants": {"NO2": {"qty": 1}, "OH": {"qty": 1}}, "products": {"HNO3": {"yield": 1}, "irr__27": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 2.4e-14, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"OH": {"qty": 1}, "HNO3": {"qty": 1}}, "products": {"NO3": {"yield": 1}, "irr__28": {"yield": 1}}}, {"type": "TROE", "k0_A": 6.5e-34, "k0_B": 0, "k0_C": 1335, "kinf_A": 2.7e-17, "kinf_B": 0, "kinf_C": 2199, "Fc": 1, "N": 1, "reactants": {"OH": {"qty": 1}, "HNO3": {"qty": 1}}, "products": {"NO3": {"yield": 1}, "irr__29": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 3.5e-12, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"HO2": {"qty": 1}, "NO": {"qty": 1}}, "products": {"OH": {"yield": 1}, "NO2": {"yield": 1}, "irr__30": {"yield": 1}}}, {"type": "TROE", "k0_A": 1.8e-31, "k0_B": -3.2, "k0_C": 0, "kinf_A": 4.7e-12, "kinf_B": 0, "kinf_C": 0, "Fc": 0.6, "N": 1, "reactants": {"HO2": {"qty": 1}, "NO2": {"qty": 1}}, "products": {"PNA": {"yield": 1}, "irr__31": {"yield": 1}}}, {"type": "TROE", "k0_A": 4.1e-05, "k0_B": 0, "k0_C": -10650, "kinf_A": 4800000000000000, "kinf_B": 0, "kinf_C": -11170, "Fc": 0.6, "N": 1, "reactants": {"PNA": {"qty": 1}}, "products": {"HO2": {"yield": 1}, "NO2": {"yield": 1}, "irr__32": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 1.3e-12, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"OH": {"qty": 1}, "PNA": {"qty": 1}}, "products": {"NO2": {"yield": 1}, "irr__33": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 2.3e-13, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"HO2": {"qty": 2}}, "products": {"H2O2": {"yield": 1}, "irr__34": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 1.7e-33, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"HO2": {"qty": 2}, "M": {"qty": 1}}, "products": {"H2O2": {"yield": 1}, "irr__35": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 3.22e-34, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"HO2": {"qty": 2}, "H2O": {"qty": 1}}, "products": {"H2O2": {"yield": 1}, "irr__36": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 2.38e-54, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"HO2": {"qty": 2}, "H2O": {"qty": 1}, "M": {"qty": 1}}, "products": {"H2O2": {"yield": 1}, "irr__37": {"yield": 1}}}, {"type": "PHOTOLYSIS", "scaling_factor": 1, "MUSICA name": "H2O2", "reactants": {"H2O2": {}}, "products": {"OH": {"yield": 2}, "irr__38": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 2.9e-12, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"OH": {"qty": 1}, "H2O2": {"qty": 1}}, "products": {"HO2": {"yield": 1}, "irr__39": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 1.1e-10, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"O1D": {"qty": 1}, "H2": {"qty": 1}}, "products": {"OH": {"yield": 1}, "HO2": {"yield": 1}, "irr__40": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 5.5e-12, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"OH": {"qty": 1}, "H2": {"qty": 1}}, "products": {"HO2": {"yield": 1}, "irr__41": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 2.2e-11, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"OH": {"qty": 1}, "O": {"qty": 1}}, "products": {"HO2": {"yield": 1}, "irr__42": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 4.2e-12, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"OH": {"qty": 2}}, "products": {"O": {"yield": 1}, "irr__43": {"yield": 1}}}, {"type": "TROE", "k0_A": 6.9e-31, "k0_B": -1, "k0_C": 0, "kinf_A": 2.6e-11, "kinf_B": 0, "kinf_C": 0, "Fc": 0.6, "N": 1, "reactants": {"OH": {"qty": 2}}, "products": {"H2O2": {"yield": 1}, "irr__44": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 4.8e-11, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"OH": {"qty": 1}, "HO2": {"qty": 1}}, "products": {"irr__45": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 3e-11, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"HO2": {"qty": 1}, "O": {"qty": 1}}, "products": {"OH": {"yield": 1}, "irr__46": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 1.4e-12, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"H2O2": {"qty": 1}, "O": {"qty": 1}}, "products": {"OH": {"yield": 1}, "HO2": {"yield": 1}, "irr__47": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 1e-11, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"NO3": {"qty": 1}, "O": {"qty": 1}}, "products": {"NO2": {"yield": 1}, "irr__48": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 2.2e-11, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"NO3": {"qty": 1}, "OH": {"qty": 1}}, "products": {"HO2": {"yield": 1}, "NO2": {"yield": 1}, "irr__49": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 3.5e-12, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"NO3": {"qty": 1}, "HO2": {"qty": 1}}, "products": {"HNO3": {"yield": 1}, "irr__50": 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{"yield": 1}}}, {"type": "ARRHENIUS", "A": 1.16e-14, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"SESQ": {"qty": 1}, "O3": {"qty": 1}}, "products": {"O3": {"yield": 1}, "irr__186": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 1.97e-10, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"SESQ": {"qty": 1}, "OH": {"qty": 1}}, "products": {"OH": {"yield": 1}, "irr__187": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 1.9e-11, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"SESQ": {"qty": 1}, "NO3": {"qty": 1}}, "products": {"NO3": {"yield": 1}, "irr__188": {"yield": 1}}}, {"type": "PHOTOLYSIS", "scaling_factor": 1, "MUSICA name": "O2", "reactants": {"O2": {}}, "products": {"O": {"yield": 2}, "irr__189": {"yield": 1}}}, {"type": "EMISSION", "scaling factor": 1, "MUSICA name": "NO", "species": "NO", "products": {"irr__190": {"yield": 1}}}, {"type": "EMISSION", "scaling factor": 1, "MUSICA name": "NO2", "species": "NO2", "products": {"irr__191": {"yield": 1}}}, {"type": "EMISSION", "scaling factor": 1, "MUSICA name": "CO", "species": "CO", "products": {"irr__192": {"yield": 1}}}, {"type": "EMISSION", "scaling factor": 1, "MUSICA name": "SO2", "species": "SO2", "products": {"irr__193": {"yield": 1}}}, {"type": "EMISSION", "scaling factor": 1, "MUSICA name": "FORM", "species": "FORM", "products": {"irr__194": {"yield": 1}}}, {"type": "EMISSION", "scaling factor": 1, "MUSICA name": "MEOH", "species": "MEOH", "products": {"irr__195": {"yield": 1}}}, {"type": "EMISSION", "scaling factor": 1, "MUSICA name": "ALD2", "species": "ALD2", "products": {"irr__196": {"yield": 1}}}, {"type": "EMISSION", "scaling factor": 1, "MUSICA name": "PAR", "species": "PAR", "products": {"irr__197": {"yield": 1}}}, {"type": "EMISSION", "scaling factor": 1, "MUSICA name": "ETH", "species": "ETH", "products": {"irr__198": {"yield": 1}}}, {"type": "EMISSION", "scaling factor": 1, "MUSICA name": "OLE", "species": "OLE", "products": {"irr__199": {"yield": 1}}}, {"type": "EMISSION", "scaling factor": 1, "MUSICA name": "IOLE", "species": "IOLE", "products": {"irr__200": {"yield": 1}}}, {"type": "EMISSION", "scaling factor": 1, "MUSICA name": "TOL", "species": "TOL", "products": {"irr__201": {"yield": 1}}}, {"type": "EMISSION", "scaling factor": 1, "MUSICA name": "XYL", "species": "XYL", "products": {"irr__202": {"yield": 1}}}, {"type": "EMISSION", "scaling factor": 1, "MUSICA name": "ISOP", "species": "ISOP", "products": {"irr__203": {"yield": 1}}}]}]}
\ No newline at end of file
diff --git a/test/tutorial/configs/carbon_bond_5/species.json b/test/tutorial/configs/carbon_bond_5/species.json
new file mode 100644
index 000000000..8a101b2be
--- /dev/null
+++ b/test/tutorial/configs/carbon_bond_5/species.json
@@ -0,0 +1 @@
+{"camp-data": [{"name": "AACD", "type": "CHEM_SPEC"}, {"name": "ALD2", "type": "CHEM_SPEC"}, {"name": "ALDX", "type": "CHEM_SPEC"}, {"name": "BENZENE", "type": "CHEM_SPEC"}, {"name": "BENZRO2", "type": "CHEM_SPEC"}, {"name": "C2O3", "type": "CHEM_SPEC"}, {"name": "CH4", "type": "CHEM_SPEC"}, {"name": "CL", "type": "CHEM_SPEC"}, {"name": "CL2", "type": "CHEM_SPEC"}, {"name": "CLO", "type": "CHEM_SPEC"}, {"name": "CO", "type": "CHEM_SPEC"}, {"name": "CRES", "type": "CHEM_SPEC"}, {"name": "CRO", "type": "CHEM_SPEC"}, {"name": "CXO3", "type": "CHEM_SPEC"}, {"name": "ETH", "type": "CHEM_SPEC"}, {"name": "ETHA", "type": "CHEM_SPEC"}, {"name": "ETOH", "type": "CHEM_SPEC"}, {"name": "FACD", "type": "CHEM_SPEC"}, {"name": "FMCL", "type": "CHEM_SPEC"}, {"name": "FORM", "type": "CHEM_SPEC"}, {"name": "H2", "type": "CHEM_SPEC"}, {"name": "H2O", "type": "CHEM_SPEC"}, {"name": "H2O2", "type": "CHEM_SPEC"}, {"name": "HCL", "type": "CHEM_SPEC"}, {"name": "HCO3", "type": "CHEM_SPEC"}, {"name": "HNO3", "type": "CHEM_SPEC"}, {"name": "HO2", "type": "CHEM_SPEC"}, {"name": "HOCL", "type": "CHEM_SPEC"}, {"name": "HONO", "type": "CHEM_SPEC"}, {"name": "IOLE", "type": "CHEM_SPEC"}, {"name": "ISOP", "type": "CHEM_SPEC"}, {"name": "ISPD", "type": "CHEM_SPEC"}, {"name": "M", "type": "CHEM_SPEC"}, {"name": "MEO2", "type": "CHEM_SPEC"}, {"name": "MEOH", "type": "CHEM_SPEC"}, {"name": "MEPX", "type": "CHEM_SPEC"}, {"name": "MGLY", "type": "CHEM_SPEC"}, {"name": "N2O5", "type": "CHEM_SPEC"}, {"name": "NO", "type": "CHEM_SPEC"}, {"name": "NO2", "type": "CHEM_SPEC"}, {"name": "NO3", "type": "CHEM_SPEC"}, {"name": "NTR", "type": "CHEM_SPEC"}, {"name": "O", "type": "CHEM_SPEC"}, {"name": "O1D", "type": "CHEM_SPEC"}, {"name": "O3", "type": "CHEM_SPEC"}, {"name": "OH", "type": "CHEM_SPEC"}, {"name": "O2", "type": "CHEM_SPEC"}, {"name": "OLE", "type": "CHEM_SPEC"}, {"name": "OPEN", "type": "CHEM_SPEC"}, {"name": "PACD", "type": "CHEM_SPEC"}, {"name": "PAN", "type": "CHEM_SPEC"}, {"name": "PANX", "type": "CHEM_SPEC"}, {"name": "PAR", "type": "CHEM_SPEC"}, {"name": "PNA", "type": "CHEM_SPEC"}, {"name": "ROOH", "type": "CHEM_SPEC"}, {"name": "ROR", "type": "CHEM_SPEC"}, {"name": "SESQ", "type": "CHEM_SPEC"}, {"name": "SO2", "type": "CHEM_SPEC"}, {"name": "SULF", "type": "CHEM_SPEC"}, {"name": "TERP", "type": "CHEM_SPEC"}, {"name": "TO2", "type": "CHEM_SPEC"}, {"name": "TOL", "type": "CHEM_SPEC"}, {"name": "TOLRO2", "type": "CHEM_SPEC"}, {"name": "XO2", "type": "CHEM_SPEC"}, {"name": "XO2N", "type": "CHEM_SPEC"}, {"name": "XYL", "type": "CHEM_SPEC"}, {"name": "XYLRO2", "type": "CHEM_SPEC"}, {"name": "irr__0", "type": "CHEM_SPEC"}, {"name": "irr__1", "type": "CHEM_SPEC"}, {"name": "irr__2", "type": "CHEM_SPEC"}, {"name": "irr__3", "type": "CHEM_SPEC"}, {"name": "irr__4", "type": "CHEM_SPEC"}, {"name": "irr__5", "type": "CHEM_SPEC"}, {"name": "irr__6", "type": "CHEM_SPEC"}, {"name": "irr__7", "type": "CHEM_SPEC"}, {"name": "irr__8", "type": "CHEM_SPEC"}, {"name": "irr__9", "type": "CHEM_SPEC"}, {"name": "irr__10", "type": "CHEM_SPEC"}, {"name": "irr__11", "type": "CHEM_SPEC"}, {"name": "irr__12", "type": "CHEM_SPEC"}, {"name": "irr__13", "type": "CHEM_SPEC"}, {"name": "irr__14", "type": "CHEM_SPEC"}, {"name": "irr__15", "type": "CHEM_SPEC"}, {"name": "irr__16", "type": "CHEM_SPEC"}, {"name": "irr__17", "type": "CHEM_SPEC"}, {"name": "irr__18", "type": "CHEM_SPEC"}, {"name": "irr__19", "type": "CHEM_SPEC"}, {"name": "irr__20", "type": "CHEM_SPEC"}, {"name": "irr__21", "type": "CHEM_SPEC"}, {"name": "irr__22", "type": "CHEM_SPEC"}, {"name": "irr__23", "type": "CHEM_SPEC"}, {"name": "irr__24", "type": "CHEM_SPEC"}, {"name": "irr__25", "type": "CHEM_SPEC"}, {"name": "irr__26", "type": "CHEM_SPEC"}, {"name": "irr__27", "type": "CHEM_SPEC"}, {"name": "irr__28", "type": "CHEM_SPEC"}, {"name": "irr__29", "type": "CHEM_SPEC"}, {"name": "irr__30", "type": "CHEM_SPEC"}, {"name": "irr__31", "type": "CHEM_SPEC"}, {"name": "irr__32", "type": "CHEM_SPEC"}, {"name": "irr__33", "type": "CHEM_SPEC"}, {"name": "irr__34", "type": "CHEM_SPEC"}, {"name": "irr__35", "type": "CHEM_SPEC"}, {"name": "irr__36", "type": "CHEM_SPEC"}, {"name": "irr__37", "type": "CHEM_SPEC"}, {"name": "irr__38", "type": "CHEM_SPEC"}, {"name": "irr__39", "type": "CHEM_SPEC"}, {"name": "irr__40", "type": "CHEM_SPEC"}, {"name": "irr__41", "type": "CHEM_SPEC"}, {"name": "irr__42", "type": "CHEM_SPEC"}, {"name": "irr__43", "type": "CHEM_SPEC"}, {"name": "irr__44", "type": "CHEM_SPEC"}, {"name": "irr__45", "type": "CHEM_SPEC"}, {"name": "irr__46", "type": "CHEM_SPEC"}, {"name": "irr__47", "type": "CHEM_SPEC"}, {"name": "irr__48", "type": "CHEM_SPEC"}, {"name": "irr__49", "type": "CHEM_SPEC"}, {"name": "irr__50", "type": "CHEM_SPEC"}, {"name": "irr__51", "type": "CHEM_SPEC"}, {"name": "irr__52", "type": "CHEM_SPEC"}, {"name": "irr__53", "type": "CHEM_SPEC"}, {"name": "irr__54", "type": "CHEM_SPEC"}, {"name": "irr__55", "type": "CHEM_SPEC"}, {"name": "irr__56", "type": "CHEM_SPEC"}, {"name": "irr__57", "type": "CHEM_SPEC"}, {"name": "irr__58", "type": "CHEM_SPEC"}, {"name": "irr__59", "type": "CHEM_SPEC"}, {"name": "irr__60", "type": "CHEM_SPEC"}, {"name": "irr__61", "type": "CHEM_SPEC"}, {"name": "irr__62", "type": "CHEM_SPEC"}, {"name": "irr__63", "type": "CHEM_SPEC"}, {"name": "irr__64", "type": "CHEM_SPEC"}, {"name": "irr__65", "type": "CHEM_SPEC"}, {"name": "irr__66", "type": "CHEM_SPEC"}, {"name": "irr__67", "type": "CHEM_SPEC"}, {"name": "irr__68", "type": "CHEM_SPEC"}, {"name": "irr__69", "type": "CHEM_SPEC"}, {"name": "irr__70", "type": "CHEM_SPEC"}, {"name": "irr__71", "type": "CHEM_SPEC"}, {"name": "irr__72", "type": "CHEM_SPEC"}, {"name": "irr__73", "type": "CHEM_SPEC"}, {"name": "irr__74", "type": "CHEM_SPEC"}, {"name": "irr__75", "type": "CHEM_SPEC"}, {"name": "irr__76", "type": "CHEM_SPEC"}, {"name": "irr__77", "type": "CHEM_SPEC"}, {"name": "irr__78", "type": "CHEM_SPEC"}, {"name": "irr__79", "type": "CHEM_SPEC"}, {"name": "irr__80", "type": "CHEM_SPEC"}, {"name": "irr__81", "type": "CHEM_SPEC"}, {"name": "irr__82", "type": "CHEM_SPEC"}, {"name": "irr__83", "type": "CHEM_SPEC"}, {"name": "irr__84", "type": "CHEM_SPEC"}, {"name": "irr__85", "type": "CHEM_SPEC"}, {"name": "irr__86", "type": "CHEM_SPEC"}, {"name": "irr__87", "type": "CHEM_SPEC"}, {"name": "irr__88", "type": "CHEM_SPEC"}, {"name": "irr__89", "type": "CHEM_SPEC"}, {"name": "irr__90", "type": "CHEM_SPEC"}, {"name": "irr__91", "type": "CHEM_SPEC"}, {"name": "irr__92", "type": "CHEM_SPEC"}, {"name": "irr__93", "type": "CHEM_SPEC"}, {"name": "irr__94", "type": "CHEM_SPEC"}, {"name": "irr__95", "type": "CHEM_SPEC"}, {"name": "irr__96", "type": "CHEM_SPEC"}, {"name": "irr__97", "type": "CHEM_SPEC"}, {"name": "irr__98", "type": "CHEM_SPEC"}, {"name": "irr__99", "type": "CHEM_SPEC"}, {"name": "irr__100", "type": "CHEM_SPEC"}, {"name": "irr__101", "type": "CHEM_SPEC"}, {"name": "irr__102", "type": "CHEM_SPEC"}, {"name": "irr__103", "type": "CHEM_SPEC"}, {"name": "irr__104", "type": "CHEM_SPEC"}, {"name": "irr__105", "type": "CHEM_SPEC"}, {"name": "irr__106", "type": "CHEM_SPEC"}, {"name": "irr__107", "type": "CHEM_SPEC"}, {"name": "irr__108", "type": "CHEM_SPEC"}, {"name": "irr__109", "type": "CHEM_SPEC"}, {"name": "irr__110", "type": "CHEM_SPEC"}, {"name": "irr__111", "type": "CHEM_SPEC"}, {"name": "irr__112", "type": "CHEM_SPEC"}, {"name": "irr__113", "type": "CHEM_SPEC"}, {"name": "irr__114", "type": "CHEM_SPEC"}, {"name": "irr__115", "type": "CHEM_SPEC"}, {"name": "irr__116", "type": "CHEM_SPEC"}, {"name": "irr__117", "type": "CHEM_SPEC"}, {"name": "irr__118", "type": "CHEM_SPEC"}, {"name": "irr__119", "type": "CHEM_SPEC"}, {"name": "irr__120", "type": "CHEM_SPEC"}, {"name": "irr__121", "type": "CHEM_SPEC"}, {"name": "irr__122", "type": "CHEM_SPEC"}, {"name": "irr__123", "type": "CHEM_SPEC"}, {"name": "irr__124", "type": "CHEM_SPEC"}, {"name": "irr__125", "type": "CHEM_SPEC"}, {"name": "irr__126", "type": "CHEM_SPEC"}, {"name": "irr__127", "type": "CHEM_SPEC"}, {"name": "irr__128", "type": "CHEM_SPEC"}, {"name": "irr__129", "type": "CHEM_SPEC"}, {"name": "irr__130", "type": "CHEM_SPEC"}, {"name": "irr__131", "type": "CHEM_SPEC"}, {"name": "irr__132", "type": "CHEM_SPEC"}, {"name": "irr__133", "type": "CHEM_SPEC"}, {"name": "irr__134", "type": "CHEM_SPEC"}, {"name": "irr__135", "type": "CHEM_SPEC"}, {"name": "irr__136", "type": "CHEM_SPEC"}, {"name": "irr__137", "type": "CHEM_SPEC"}, {"name": "irr__138", "type": "CHEM_SPEC"}, {"name": "irr__139", "type": "CHEM_SPEC"}, {"name": "irr__140", "type": "CHEM_SPEC"}, {"name": "irr__141", "type": "CHEM_SPEC"}, {"name": "irr__142", "type": "CHEM_SPEC"}, {"name": "irr__143", "type": "CHEM_SPEC"}, {"name": "irr__144", "type": "CHEM_SPEC"}, {"name": "irr__145", "type": "CHEM_SPEC"}, {"name": "irr__146", "type": "CHEM_SPEC"}, {"name": "irr__147", "type": "CHEM_SPEC"}, {"name": "irr__148", "type": "CHEM_SPEC"}, {"name": "irr__149", "type": "CHEM_SPEC"}, {"name": "irr__150", "type": "CHEM_SPEC"}, {"name": "irr__151", "type": "CHEM_SPEC"}, {"name": "irr__152", "type": "CHEM_SPEC"}, {"name": "irr__153", "type": "CHEM_SPEC"}, {"name": "irr__154", "type": "CHEM_SPEC"}, {"name": "irr__155", "type": "CHEM_SPEC"}, {"name": "irr__156", "type": "CHEM_SPEC"}, {"name": "irr__157", "type": "CHEM_SPEC"}, {"name": "irr__158", "type": "CHEM_SPEC"}, {"name": "irr__159", "type": "CHEM_SPEC"}, {"name": "irr__160", "type": "CHEM_SPEC"}, {"name": "irr__161", "type": "CHEM_SPEC"}, {"name": "irr__162", "type": "CHEM_SPEC"}, {"name": "irr__163", "type": "CHEM_SPEC"}, {"name": "irr__164", "type": "CHEM_SPEC"}, {"name": "irr__165", "type": "CHEM_SPEC"}, {"name": "irr__166", "type": "CHEM_SPEC"}, {"name": "irr__167", "type": "CHEM_SPEC"}, {"name": "irr__168", "type": "CHEM_SPEC"}, {"name": "irr__169", "type": "CHEM_SPEC"}, {"name": "irr__170", "type": "CHEM_SPEC"}, {"name": "irr__171", "type": "CHEM_SPEC"}, {"name": "irr__172", "type": "CHEM_SPEC"}, {"name": "irr__173", "type": "CHEM_SPEC"}, {"name": "irr__174", "type": "CHEM_SPEC"}, {"name": "irr__175", "type": "CHEM_SPEC"}, {"name": "irr__176", "type": "CHEM_SPEC"}, {"name": "irr__177", "type": "CHEM_SPEC"}, {"name": "irr__178", "type": "CHEM_SPEC"}, {"name": "irr__179", "type": "CHEM_SPEC"}, {"name": "irr__180", "type": "CHEM_SPEC"}, {"name": "irr__181", "type": "CHEM_SPEC"}, {"name": "irr__182", "type": "CHEM_SPEC"}, {"name": "irr__183", "type": "CHEM_SPEC"}, {"name": "irr__184", "type": "CHEM_SPEC"}, {"name": "irr__185", "type": "CHEM_SPEC"}, {"name": "irr__186", "type": "CHEM_SPEC"}, {"name": "irr__187", "type": "CHEM_SPEC"}, {"name": "irr__188", "type": "CHEM_SPEC"}, {"name": "irr__189", "type": "CHEM_SPEC"}, {"name": "irr__190", "type": "CHEM_SPEC"}, {"name": "irr__191", "type": "CHEM_SPEC"}, {"name": "irr__192", "type": "CHEM_SPEC"}, {"name": "irr__193", "type": "CHEM_SPEC"}, {"name": "irr__194", "type": "CHEM_SPEC"}, {"name": "irr__195", "type": "CHEM_SPEC"}, {"name": "irr__196", "type": "CHEM_SPEC"}, {"name": "irr__197", "type": "CHEM_SPEC"}, {"name": "irr__198", "type": "CHEM_SPEC"}, {"name": "irr__199", "type": "CHEM_SPEC"}, {"name": "irr__200", "type": "CHEM_SPEC"}, {"name": "irr__201", "type": "CHEM_SPEC"}, {"name": "irr__202", "type": "CHEM_SPEC"}, {"name": "irr__203", "type": "CHEM_SPEC"}]}
\ No newline at end of file
diff --git a/test/tutorial/test_jit_tutorial.cpp b/test/tutorial/test_jit_tutorial.cpp
new file mode 100644
index 000000000..c32d858dc
--- /dev/null
+++ b/test/tutorial/test_jit_tutorial.cpp
@@ -0,0 +1,188 @@
+#include <chrono>
+#include <iomanip>
+#include <iostream>
+#include <map>
+
+// Each rate constant is in its own header file
+#include <micm/configure/solver_config.hpp>
+#include <micm/jit/jit_compiler.hpp>
+#include <micm/solver/jit_rosenbrock.hpp>
+#include <micm/solver/rosenbrock.hpp>
+
+// Use our namespace so that this example is easier to read
+using namespace micm;
+
+template<class T>
+using Group1VectorMatrix = micm::VectorMatrix<T, 1>;
+template<class T>
+using Group1SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<1>>;
+
+template<typename T>
+auto run_solver(T& solver)
+{
+  typename T::SolverStats total_stats;
+  State state = solver.GetState();
+
+  state.variables_ = 1;
+
+  state.conditions_[0].temperature_ = 287.45;  // K
+  state.conditions_[0].pressure_ = 101319.9;   // Pa
+
+  state.SetCustomRateParameter("EMIS.NO", 1.44e-10);
+  state.SetCustomRateParameter("EMIS.NO2", 7.56e-12);
+  state.SetCustomRateParameter("EMIS.CO", 1.9600000000000003e-09);
+  state.SetCustomRateParameter("EMIS.SO2", 1.06e-09);
+  state.SetCustomRateParameter("EMIS.FORM", 1.02e-11);
+  state.SetCustomRateParameter("EMIS.MEOH", 5.920000000000001e-13);
+  state.SetCustomRateParameter("EMIS.ALD2", 4.25e-12);
+  state.SetCustomRateParameter("EMIS.PAR", 4.27e-10);
+  state.SetCustomRateParameter("EMIS.ETH", 4.62e-11);
+  state.SetCustomRateParameter("EMIS.OLE", 1.49e-11);
+  state.SetCustomRateParameter("EMIS.IOLE", 1.49e-11);
+  state.SetCustomRateParameter("EMIS.TOL", 1.53e-11);
+  state.SetCustomRateParameter("EMIS.XYL", 1.4e-11);
+  state.SetCustomRateParameter("EMIS.ISOP", 6.03e-12);
+  state.SetCustomRateParameter("PHOTO.NO2", 0.00477);
+  state.SetCustomRateParameter("PHOTO.O3->O1D", 2.26e-06);
+  state.SetCustomRateParameter("PHOTO.O3->O3P", 0.00025299999999999997);
+  state.SetCustomRateParameter("PHOTO.NO3->NO2", 0.11699999999999999);
+  state.SetCustomRateParameter("PHOTO.NO3->NO", 0.0144);
+  state.SetCustomRateParameter("PHOTO.HONO", 0.000918);
+  state.SetCustomRateParameter("PHOTO.H2O2", 2.59e-06);
+  state.SetCustomRateParameter("PHOTO.PNA", 1.89e-06);
+  state.SetCustomRateParameter("PHOTO.HNO3", 8.61e-08);
+  state.SetCustomRateParameter("PHOTO.NTR", 4.77e-07);
+  state.SetCustomRateParameter("PHOTO.ROOH", 1.81e-06);
+  state.SetCustomRateParameter("PHOTO.MEPX", 1.81e-06);
+  state.SetCustomRateParameter("PHOTO.FORM->HO2", 7.93e-06);
+  state.SetCustomRateParameter("PHOTO.FORM->CO", 2.2e-05);
+  state.SetCustomRateParameter("PHOTO.ALD2", 2.2e-06);
+  state.SetCustomRateParameter("PHOTO.PACD", 1.81e-06);
+  state.SetCustomRateParameter("PHOTO.ALDX", 2.2e-06);
+  state.SetCustomRateParameter("PHOTO.OPEN", 0.0006450000000000001);
+  state.SetCustomRateParameter("PHOTO.MGLY", 7.64e-05);
+  state.SetCustomRateParameter("PHOTO.ISPD", 1.98e-09);
+
+  // choose a timestep and print the initial state
+  double time_step = 500;  // s
+
+  // solve for ten iterations
+  for (int i = 0; i < 10; ++i)
+  {
+    double elapsed_solve_time = 0;
+
+    while (elapsed_solve_time < time_step)
+    {
+      auto result = solver.template Solve<true>(time_step - elapsed_solve_time, state);
+      elapsed_solve_time = result.final_time_;
+      state.variables_ = result.result_;
+
+      total_stats.function_calls += result.stats_.function_calls;
+      total_stats.jacobian_updates += result.stats_.jacobian_updates;
+      total_stats.number_of_steps += result.stats_.number_of_steps;
+      total_stats.accepted += result.stats_.accepted;
+      total_stats.rejected += result.stats_.rejected;
+      total_stats.decompositions += result.stats_.decompositions;
+      total_stats.solves += result.stats_.solves;
+      total_stats.singular += result.stats_.singular;
+      total_stats.total_forcing_time += result.stats_.total_forcing_time;
+      total_stats.total_jacobian_time += result.stats_.total_jacobian_time;
+      total_stats.total_linear_factor_time += result.stats_.total_linear_factor_time;
+      total_stats.total_linear_solve_time += result.stats_.total_linear_solve_time;
+    }
+  }
+
+  return std::make_pair(state, total_stats);
+}
+
+int main(const int argc, const char* argv[])
+{
+  SolverConfig solverConfig;
+
+  std::string config_path = "./configs/carbon_bond_5";
+  ConfigParseStatus status = solverConfig.ReadAndParse(config_path);
+  if (status != micm::ConfigParseStatus::Success)
+  {
+    throw "Parsing failed";
+  }
+
+  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
+
+  auto chemical_system = solver_params.system_;
+  auto reactions = solver_params.processes_;
+
+  RosenbrockSolver<> solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+
+  auto jit{ micm::JitCompiler::create() };
+
+  auto start = std::chrono::high_resolution_clock::now();
+  JitRosenbrockSolver<
+    Group1VectorMatrix, 
+    Group1SparseVectorMatrix, 
+    JitLinearSolver<1, Group1SparseVectorMatrix>
+    > jit_solver(
+      jit.get(), 
+      chemical_system, 
+      reactions, 
+      RosenbrockSolverParameters::three_stage_rosenbrock_parameters() 
+    );
+  auto end = std::chrono::high_resolution_clock::now();
+  auto jit_compile_time = std::chrono::duration_cast<std::chrono::nanoseconds>(end - start);
+
+  std::cout << "Jit compile time: " << jit_compile_time.count() << " nanoseconds" << std::endl;
+
+  start = std::chrono::high_resolution_clock::now();
+  auto result_pair = run_solver(solver);
+  end = std::chrono::high_resolution_clock::now();
+  auto result_time = std::chrono::duration_cast<std::chrono::nanoseconds>(end - start);
+
+  start = std::chrono::high_resolution_clock::now();
+  auto jit_result_pair = run_solver(jit_solver);
+  end = std::chrono::high_resolution_clock::now();
+  auto jit_time = std::chrono::duration_cast<std::chrono::nanoseconds>(end - start);
+
+  std::cout << "Result time: " << result_time.count() << " nanoseconds" << std::endl;
+  std::cout << "JIT result time: " << jit_time.count() << " nanoseconds" << std::endl;
+
+  auto result_stats = result_pair.second;
+  std::cout << "Result stats: " << std::endl;
+  std::cout << "accepted: " << result_stats.accepted << std::endl;
+  std::cout << "function_calls: " << result_stats.function_calls << std::endl;
+  std::cout << "jacobian_updates: " << result_stats.jacobian_updates << std::endl;
+  std::cout << "number_of_steps: " << result_stats.number_of_steps << std::endl;
+  std::cout << "accepted: " << result_stats.accepted << std::endl;
+  std::cout << "rejected: " << result_stats.rejected << std::endl;
+  std::cout << "decompositions: " << result_stats.decompositions << std::endl;
+  std::cout << "solves: " << result_stats.solves << std::endl;
+  std::cout << "singular: " << result_stats.singular << std::endl;
+  std::cout << "total_forcing_time: " <<       result_stats.total_forcing_time.count() << " nanoseconds" << std::endl;
+  std::cout << "total_jacobian_time: " <<      result_stats.total_jacobian_time.count() << " nanoseconds" << std::endl;
+  std::cout << "total_linear_factor_time: " << result_stats.total_linear_factor_time.count() << " nanoseconds" << std::endl;
+  std::cout << "total_linear_solve_time: " <<  result_stats.total_linear_solve_time.count() << " nanoseconds" << std::endl;
+
+  auto jit_result_stats = jit_result_pair.second;
+  std::cout << "JIT result stats: " << std::endl;
+  std::cout << "accepted: " << jit_result_stats.accepted << std::endl;
+  std::cout << "function_calls: " << jit_result_stats.function_calls << std::endl;
+  std::cout << "jacobian_updates: " << jit_result_stats.jacobian_updates << std::endl;
+  std::cout << "number_of_steps: " << jit_result_stats.number_of_steps << std::endl;
+  std::cout << "accepted: " << jit_result_stats.accepted << std::endl;
+  std::cout << "rejected: " << jit_result_stats.rejected << std::endl;
+  std::cout << "decompositions: " << jit_result_stats.decompositions << std::endl;
+  std::cout << "solves: " << jit_result_stats.solves << std::endl;
+  std::cout << "singular: " << jit_result_stats.singular << std::endl;
+  std::cout << "total_forcing_time: " <<       jit_result_stats.total_forcing_time.count() << " nanoseconds" << std::endl;
+  std::cout << "total_jacobian_time: " <<      jit_result_stats.total_jacobian_time.count() << " nanoseconds" << std::endl;
+  std::cout << "total_linear_factor_time: " << jit_result_stats.total_linear_factor_time.count() << " nanoseconds" << std::endl;
+  std::cout << "total_linear_solve_time: " <<  jit_result_stats.total_linear_solve_time.count() << " nanoseconds" << std::endl;
+
+  auto result = result_pair.first;
+  auto jit_result = result_pair.first;
+
+  for(auto& species : result.variable_names_) {
+    if (result.variables_[0][result.variable_map_[species]] != jit_result.variables_[0][jit_result.variable_map_[species]]) {
+      std::cout << species << " do not match final concentration" << std::endl;
+    }
+  }
+  return 0;
+}

From 84b4c6d8d78c6d12405c031bc6695e4276009326 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Fri, 27 Oct 2023 10:42:04 -0500
Subject: [PATCH 197/318] printing out all stats

---
 test/tutorial/test_jit_tutorial.cpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/test/tutorial/test_jit_tutorial.cpp b/test/tutorial/test_jit_tutorial.cpp
index c32d858dc..942827a77 100644
--- a/test/tutorial/test_jit_tutorial.cpp
+++ b/test/tutorial/test_jit_tutorial.cpp
@@ -27,6 +27,7 @@ auto run_solver(T& solver)
 
   state.conditions_[0].temperature_ = 287.45;  // K
   state.conditions_[0].pressure_ = 101319.9;   // Pa
+  state.conditions_[0].air_density_ = 1e6;     // mol m-3
 
   state.SetCustomRateParameter("EMIS.NO", 1.44e-10);
   state.SetCustomRateParameter("EMIS.NO2", 7.56e-12);

From 4432d2117bd54aee203254014badd5c2844bc237 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Fri, 27 Oct 2023 13:41:32 -0500
Subject: [PATCH 198/318] added more jit optimizations

---
 include/micm/jit/jit_compiler.hpp   |  14 ++++
 test/tutorial/test_jit_tutorial.cpp | 106 ++++++++++++++++------------
 2 files changed, 73 insertions(+), 47 deletions(-)

diff --git a/include/micm/jit/jit_compiler.hpp b/include/micm/jit/jit_compiler.hpp
index 356f0fbf8..a85925f4a 100644
--- a/include/micm/jit/jit_compiler.hpp
+++ b/include/micm/jit/jit_compiler.hpp
@@ -24,10 +24,14 @@
 #include "llvm/IR/DataLayout.h"
 #include "llvm/IR/LLVMContext.h"
 #include "llvm/IR/LegacyPassManager.h"
+#include "llvm/IR/PassManager.h"
 #include "llvm/Support/TargetSelect.h"
+#include "llvm/Transforms/IPO.h"
 #include "llvm/Transforms/InstCombine/InstCombine.h"
 #include "llvm/Transforms/Scalar.h"
 #include "llvm/Transforms/Scalar/GVN.h"
+#include "llvm/Transforms/Utils.h"
+#include "llvm/Transforms/Vectorize.h"
 
 namespace micm
 {
@@ -130,10 +134,20 @@ namespace micm
             auto pass_manager = std::make_unique<llvm::legacy::FunctionPassManager>(&module);
 
             // Add some optimizations.
+            // many from
+            // https://www.intel.com/content/www/us/en/developer/articles/technical/optimize-llvm-code-data-analytics-vectorization.html#gs.6xkals
+            // explanation of a few: https://seanforfun.github.io/llvm/2019/08/08/LLVMKaleidoscopeChap3.html
+            // pass_manager->add(llvm::createFunctionInliningPass()); // causes segfault
+            pass_manager->add(llvm::createLoopRotatePass());
+            pass_manager->add(llvm::createLICMPass());
             pass_manager->add(llvm::createInstructionCombiningPass());
             pass_manager->add(llvm::createReassociatePass());
+            pass_manager->add(llvm::createPromoteMemoryToRegisterPass());
             pass_manager->add(llvm::createGVNPass());
             pass_manager->add(llvm::createCFGSimplificationPass());
+            pass_manager->add(llvm::createLoopVectorizePass());
+            pass_manager->add(llvm::createSLPVectorizerPass());
+            // pass_manager->add(llvm::createGlobalOptimizerPass()); // causes segfault
             pass_manager->doInitialization();
 
             // Run the optimizations over all functions in the module being added to
diff --git a/test/tutorial/test_jit_tutorial.cpp b/test/tutorial/test_jit_tutorial.cpp
index 942827a77..7eaa260d4 100644
--- a/test/tutorial/test_jit_tutorial.cpp
+++ b/test/tutorial/test_jit_tutorial.cpp
@@ -12,10 +12,12 @@
 // Use our namespace so that this example is easier to read
 using namespace micm;
 
+constexpr size_t n_grid_cells = 1;
+
 template<class T>
-using Group1VectorMatrix = micm::VectorMatrix<T, 1>;
+using GroupVectorMatrix = micm::VectorMatrix<T, n_grid_cells>;
 template<class T>
-using Group1SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<1>>;
+using GroupSparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<n_grid_cells>>;
 
 template<typename T>
 auto run_solver(T& solver)
@@ -25,44 +27,47 @@ auto run_solver(T& solver)
 
   state.variables_ = 1;
 
-  state.conditions_[0].temperature_ = 287.45;  // K
-  state.conditions_[0].pressure_ = 101319.9;   // Pa
-  state.conditions_[0].air_density_ = 1e6;     // mol m-3
-
-  state.SetCustomRateParameter("EMIS.NO", 1.44e-10);
-  state.SetCustomRateParameter("EMIS.NO2", 7.56e-12);
-  state.SetCustomRateParameter("EMIS.CO", 1.9600000000000003e-09);
-  state.SetCustomRateParameter("EMIS.SO2", 1.06e-09);
-  state.SetCustomRateParameter("EMIS.FORM", 1.02e-11);
-  state.SetCustomRateParameter("EMIS.MEOH", 5.920000000000001e-13);
-  state.SetCustomRateParameter("EMIS.ALD2", 4.25e-12);
-  state.SetCustomRateParameter("EMIS.PAR", 4.27e-10);
-  state.SetCustomRateParameter("EMIS.ETH", 4.62e-11);
-  state.SetCustomRateParameter("EMIS.OLE", 1.49e-11);
-  state.SetCustomRateParameter("EMIS.IOLE", 1.49e-11);
-  state.SetCustomRateParameter("EMIS.TOL", 1.53e-11);
-  state.SetCustomRateParameter("EMIS.XYL", 1.4e-11);
-  state.SetCustomRateParameter("EMIS.ISOP", 6.03e-12);
-  state.SetCustomRateParameter("PHOTO.NO2", 0.00477);
-  state.SetCustomRateParameter("PHOTO.O3->O1D", 2.26e-06);
-  state.SetCustomRateParameter("PHOTO.O3->O3P", 0.00025299999999999997);
-  state.SetCustomRateParameter("PHOTO.NO3->NO2", 0.11699999999999999);
-  state.SetCustomRateParameter("PHOTO.NO3->NO", 0.0144);
-  state.SetCustomRateParameter("PHOTO.HONO", 0.000918);
-  state.SetCustomRateParameter("PHOTO.H2O2", 2.59e-06);
-  state.SetCustomRateParameter("PHOTO.PNA", 1.89e-06);
-  state.SetCustomRateParameter("PHOTO.HNO3", 8.61e-08);
-  state.SetCustomRateParameter("PHOTO.NTR", 4.77e-07);
-  state.SetCustomRateParameter("PHOTO.ROOH", 1.81e-06);
-  state.SetCustomRateParameter("PHOTO.MEPX", 1.81e-06);
-  state.SetCustomRateParameter("PHOTO.FORM->HO2", 7.93e-06);
-  state.SetCustomRateParameter("PHOTO.FORM->CO", 2.2e-05);
-  state.SetCustomRateParameter("PHOTO.ALD2", 2.2e-06);
-  state.SetCustomRateParameter("PHOTO.PACD", 1.81e-06);
-  state.SetCustomRateParameter("PHOTO.ALDX", 2.2e-06);
-  state.SetCustomRateParameter("PHOTO.OPEN", 0.0006450000000000001);
-  state.SetCustomRateParameter("PHOTO.MGLY", 7.64e-05);
-  state.SetCustomRateParameter("PHOTO.ISPD", 1.98e-09);
+  for(int i = 0; i < n_grid_cells; ++i) {
+    state.conditions_[i].temperature_ = 287.45;  // K
+    state.conditions_[i].pressure_ = 101319.9;   // Pa
+    state.conditions_[i].air_density_ = 1e6;     // mol m-3
+  }
+
+
+  state.SetCustomRateParameter("EMIS.NO",         std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.44e-10));
+  state.SetCustomRateParameter("EMIS.NO2",        std::vector<double>(solver.parameters_.number_of_grid_cells_, 7.56e-12));
+  state.SetCustomRateParameter("EMIS.CO",         std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.9600000000000003e-09));
+  state.SetCustomRateParameter("EMIS.SO2",        std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.06e-09));
+  state.SetCustomRateParameter("EMIS.FORM",       std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.02e-11));
+  state.SetCustomRateParameter("EMIS.MEOH",       std::vector<double>(solver.parameters_.number_of_grid_cells_, 5.920000000000001e-13));
+  state.SetCustomRateParameter("EMIS.ALD2",       std::vector<double>(solver.parameters_.number_of_grid_cells_, 4.25e-12));
+  state.SetCustomRateParameter("EMIS.PAR",        std::vector<double>(solver.parameters_.number_of_grid_cells_, 4.27e-10));
+  state.SetCustomRateParameter("EMIS.ETH",        std::vector<double>(solver.parameters_.number_of_grid_cells_, 4.62e-11));
+  state.SetCustomRateParameter("EMIS.OLE",        std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.49e-11));
+  state.SetCustomRateParameter("EMIS.IOLE",       std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.49e-11));
+  state.SetCustomRateParameter("EMIS.TOL",        std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.53e-11));
+  state.SetCustomRateParameter("EMIS.XYL",        std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.4e-11));
+  state.SetCustomRateParameter("EMIS.ISOP",       std::vector<double>(solver.parameters_.number_of_grid_cells_, 6.03e-12));
+  state.SetCustomRateParameter("PHOTO.NO2",       std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.00477));
+  state.SetCustomRateParameter("PHOTO.O3->O1D",   std::vector<double>(solver.parameters_.number_of_grid_cells_, 2.26e-06));
+  state.SetCustomRateParameter("PHOTO.O3->O3P",   std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.00025299999999999997));
+  state.SetCustomRateParameter("PHOTO.NO3->NO2",  std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.11699999999999999));
+  state.SetCustomRateParameter("PHOTO.NO3->NO",   std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.0144));
+  state.SetCustomRateParameter("PHOTO.HONO",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.000918));
+  state.SetCustomRateParameter("PHOTO.H2O2",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 2.59e-06));
+  state.SetCustomRateParameter("PHOTO.PNA",       std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.89e-06));
+  state.SetCustomRateParameter("PHOTO.HNO3",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 8.61e-08));
+  state.SetCustomRateParameter("PHOTO.NTR",       std::vector<double>(solver.parameters_.number_of_grid_cells_, 4.77e-07));
+  state.SetCustomRateParameter("PHOTO.ROOH",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.81e-06));
+  state.SetCustomRateParameter("PHOTO.MEPX",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.81e-06));
+  state.SetCustomRateParameter("PHOTO.FORM->HO2", std::vector<double>(solver.parameters_.number_of_grid_cells_, 7.93e-06));
+  state.SetCustomRateParameter("PHOTO.FORM->CO",  std::vector<double>(solver.parameters_.number_of_grid_cells_, 2.2e-05));
+  state.SetCustomRateParameter("PHOTO.ALD2",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 2.2e-06));
+  state.SetCustomRateParameter("PHOTO.PACD",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.81e-06));
+  state.SetCustomRateParameter("PHOTO.ALDX",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 2.2e-06));
+  state.SetCustomRateParameter("PHOTO.OPEN",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.0006450000000000001));
+  state.SetCustomRateParameter("PHOTO.MGLY",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 7.64e-05));
+  state.SetCustomRateParameter("PHOTO.ISPD",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.98e-09));
 
   // choose a timestep and print the initial state
   double time_step = 500;  // s
@@ -112,20 +117,25 @@ int main(const int argc, const char* argv[])
   auto chemical_system = solver_params.system_;
   auto reactions = solver_params.processes_;
 
-  RosenbrockSolver<> solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+  auto solver_parameters = RosenbrockSolverParameters::three_stage_rosenbrock_parameters(n_grid_cells);
+
+  RosenbrockSolver<
+    GroupVectorMatrix, 
+    GroupSparseVectorMatrix 
+  > solver{ chemical_system, reactions, solver_parameters };
 
   auto jit{ micm::JitCompiler::create() };
 
   auto start = std::chrono::high_resolution_clock::now();
   JitRosenbrockSolver<
-    Group1VectorMatrix, 
-    Group1SparseVectorMatrix, 
-    JitLinearSolver<1, Group1SparseVectorMatrix>
+    GroupVectorMatrix, 
+    GroupSparseVectorMatrix, 
+    JitLinearSolver<n_grid_cells, GroupSparseVectorMatrix>
     > jit_solver(
       jit.get(), 
       chemical_system, 
       reactions, 
-      RosenbrockSolverParameters::three_stage_rosenbrock_parameters() 
+      solver_parameters 
     );
   auto end = std::chrono::high_resolution_clock::now();
   auto jit_compile_time = std::chrono::duration_cast<std::chrono::nanoseconds>(end - start);
@@ -181,8 +191,10 @@ int main(const int argc, const char* argv[])
   auto jit_result = result_pair.first;
 
   for(auto& species : result.variable_names_) {
-    if (result.variables_[0][result.variable_map_[species]] != jit_result.variables_[0][jit_result.variable_map_[species]]) {
-      std::cout << species << " do not match final concentration" << std::endl;
+    for(int i = 0; i < n_grid_cells; ++i) {
+      if (result.variables_[i][result.variable_map_[species]] != jit_result.variables_[i][jit_result.variable_map_[species]]) {
+        std::cout << species << " do not match final concentration" << std::endl;
+      }
     }
   }
   return 0;

From d67ce1bc8acacc28495ed8e9ff5f0a4d1f21f14c Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Fri, 27 Oct 2023 14:26:09 -0500
Subject: [PATCH 199/318] jit tutorial

---
 .../_static/tutorials/carbon_bond_5.zip       | Bin 0 -> 6134 bytes
 docs/source/references.bib                    |  28 +++++
 docs/source/user_guide/jit.rst                | 113 +++++++++++++++++-
 test/tutorial/test_jit_tutorial.cpp           |   7 +-
 4 files changed, 138 insertions(+), 10 deletions(-)
 create mode 100644 docs/source/_static/tutorials/carbon_bond_5.zip

diff --git a/docs/source/_static/tutorials/carbon_bond_5.zip b/docs/source/_static/tutorials/carbon_bond_5.zip
new file mode 100644
index 0000000000000000000000000000000000000000..a9af056229d2f7a18c9de577272ff11d0e4037ae
GIT binary patch
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literal 0
HcmV?d00001

diff --git a/docs/source/references.bib b/docs/source/references.bib
index 5e848eb60..f1fe941b0 100644
--- a/docs/source/references.bib
+++ b/docs/source/references.bib
@@ -35,6 +35,24 @@ @article{Damian2002
   file = {/Users/kshores/Zotero/storage/2VJ5XQH2/Damian et al. - 2002 - The kinetic preprocessor KPP-a software environmen.pdf;/Users/kshores/Zotero/storage/YQSFJ5YJ/S009813540200128X.html}
 }
 
+@article{Gery1989,
+  title = {A Photochemical Kinetics Mechanism for Urban and Regional Scale Computer Modeling},
+  author = {Gery, Michael W. and Whitten, Gary Z. and Killus, James P. and Dodge, Marcia C.},
+  year = {1989},
+  journal = {Journal of Geophysical Research: Atmospheres},
+  volume = {94},
+  number = {D10},
+  pages = {12925--12956},
+  issn = {2156-2202},
+  doi = {10.1029/JD094iD10p12925},
+  urldate = {2023-10-27},
+  abstract = {A new chemical kinetics mechanism for simulating urban and regional photochemistry has been developed and evaluated. The mechanism, called the Carbon Bond Mechanism IV (CBM-IV), was derived by condensing a detailed mechanism that included the most recent kinetic, mechanistic, and photolytic information. The CBM-IV contains extensive improvements to earlier carbon bond mechanisms in the chemical representations of aromatics, biogenic hydrocarbons, peroxyacetyl nitrates, and formaldehyde. The performance of the CBM-IV was evaluated against data from 170 experiments conducted in three different smog chambers. These experiments included NOx-air irradiations of individual organic compounds as well as a number of simple and complex organic mixtures. The results of the evaluation indicate substantial improvement in the ability of the CBM-IV to simulate aromatic and isoprene systems with average overcalculation of ozone concentrations of 1\% for the aromatic simulations and 6\% for the isoprene simulations. The mechanism also performed well in simulating organic mixture experiments. Maximum ozone concentrations calculated for 68 of these experiments were approximately 2\% greater than the observed values while formaldehyde values were low by 9\%.},
+  copyright = {Copyright 1989 by the American Geophysical Union.},
+  langid = {english},
+  file = {/Users/kshores/Zotero/storage/4VYTJB9M/Gery et al. - 1989 - A photochemical kinetics mechanism for urban and r.pdf;/Users/kshores/Zotero/storage/QF83P3VZ/JD094iD10p12925.html}
+}
+
+
 @book{Hairer1996,
   title = {Solving {{Ordinary Differential Equations II}}: {{Stiff}} and {{Differential-Algebraic Problems}}},
   shorttitle = {Solving {{Ordinary Differential Equations II}}},
@@ -152,3 +170,13 @@ @article{Sandu1996
   langid = {english},
   file = {/Users/kshores/Zotero/storage/XFN28QLI/Sandu et al. - 1996 - Efficient Implementation of Fully Implicit Methods.pdf;/Users/kshores/Zotero/storage/43WPJN5Y/S0021999196902363.html}
 }
+
+@techreport{Yarwood2005,
+  title = {Updates to the {{Carbon Bond Chemical Mechanism}}: {{CB05}}},
+  author = {Yarwood, Greg and Rao, Sunja and Way, Rowland and Yocke, Mark and Whitten, Gary Z and Reyes, Smog},
+  year = {2005},
+  month = dec,
+  number = {RT-04-00675},
+  institution = {{Final Report to the US EPA}},
+  langid = {english},
+}
\ No newline at end of file
diff --git a/docs/source/user_guide/jit.rst b/docs/source/user_guide/jit.rst
index 51a573db7..774661467 100644
--- a/docs/source/user_guide/jit.rst
+++ b/docs/source/user_guide/jit.rst
@@ -32,10 +32,113 @@ So what does this gain me?
 --------------------------
 
 Runtime configuraiton of chemical mechanisms that are *fast*. Let's compare the speed of :cpp:class:`micm::RosenbrockSolver` 
-and the :cpp:class:`micm::JitRosenbrockSolver` classes applied to the same problem. We'll use this system.
+and the :cpp:class:`micm::JitRosenbrockSolver` classes applied to the same problem. This time we'll use the carbon-bond 5
+mechanism :cite:`Yarwood2005`, which is an update to the carbon bond mechanism from :cite:`Gery1989`.
 
-.. math::
+If you're looking for a copy and paste, choose
+the appropriate tab below and be on your way! Otherwise, stick around for a line by line explanation.
 
-  A &\longrightarrow B, &k_{1, \mathrm{user\ defined}} \\
-  2B &\longrightarrow B + C, &k_{2, \mathrm{user\ defined}} \\
-  B + C &\longrightarrow A + C, \qquad &k_{3, \mathrm{user\ defined}} \\
+
+.. tab-set::
+
+    .. tab-item:: OpenAtmos Configuration reading
+
+        .. raw:: html
+
+            <div class="download-div">
+              <a href="../_static/tutorials/carbon_bond_5.zip" download>
+                <button class="download-button">Download zip configuration</button>
+              </a>
+            </div>
+
+        .. literalinclude:: ../../../test/tutorial/test_jit_tutorial.cpp
+          :language: cpp
+
+Line-by-line explanation
+------------------------
+
+Starting with the header files, we need headers for timing, outpu, reading the configuration,
+and of course for both types of solvers.
+
+.. literalinclude:: ../../../test/tutorial/test_jit_tutorial.cpp
+  :language: cpp
+  :lines: 1-7
+
+Next, we use our namespace, define our number of gridcells (1 for now), and some
+partial template specializations. We are using our custom vectorized matrix, which
+groups mutliple reactions across grid cells into tiny blocks in a vector, allowing multiple
+grid cells to be solved simultaneously.
+
+.. literalinclude:: ../../../test/tutorial/test_jit_tutorial.cpp
+  :language: cpp
+  :lines: 14-18
+
+Now, all at once, is the function which runs either type of solver. We set all species
+concentrations to 1 :math:`\mathrm{mol m^-3}` and set the rate paramters for all of the
+photolysis and emissions reactions. Additionally, we are collecting all of the solver
+stats across all solving timesteps
+
+.. literalinclude:: ../../../test/tutorial/test_jit_tutorial.cpp
+  :language: cpp
+  :lines: 20-96
+
+Finally, the main function which reads the configuration and initializes the jit solver.
+
+.. literalinclude:: ../../../test/tutorial/test_jit_tutorial.cpp
+  :language: cpp
+  :lines: 101-117
+
+The only additionall step here is to make an instance of the :cpp:class:`micm::JitCompiler`
+and pass it as a shared pointer to the :cpp:class:`micm::JitRosenbrockSolver`. We also are
+using our vectorized matrix for both solvers. The :cpp:class:`micm::JitRosenbrockSolver` only works
+with the vectorized matrix whereas the :cpp:class:`micm::RosenbrockSolver` works with a regular matrix.
+At construction of the :cpp:class:`micm::JitRosenbrockSolver`, all JIT functions are compiled. We record that
+time here.
+
+.. literalinclude:: ../../../test/tutorial/test_jit_tutorial.cpp
+  :language: cpp
+  :lines: 119-140
+
+Finally, we run both solvers, output their cumulative stats, and compare their results.
+
+
+.. literalinclude:: ../../../test/tutorial/test_jit_tutorial.cpp
+  :language: cpp
+  :lines: 142-198
+
+
+The output will be similar to this:
+
+.. code:: bash
+
+  Jit compile time: 207422864917 nanoseconds
+  Result time: 8593750 nanoseconds
+  JIT result time: 4904666 nanoseconds
+  Result stats: 
+  accepted: 162
+  function_calls: 334
+  jacobian_updates: 162
+  number_of_steps: 172
+  accepted: 162
+  rejected: 0
+  decompositions: 172
+  solves: 516
+  singular: 0
+  total_forcing_time: 339551 nanoseconds
+  total_jacobian_time: 1.60283e+06 nanoseconds
+  total_linear_factor_time: 4.88587e+06 nanoseconds
+  total_linear_solve_time: 928501 nanoseconds
+  JIT result stats: 
+  accepted: 162
+  function_calls: 334
+  jacobian_updates: 162
+  number_of_steps: 172
+  accepted: 162
+  rejected: 0
+  decompositions: 172
+  solves: 516
+  singular: 0
+  total_forcing_time: 317043 nanoseconds
+  total_jacobian_time: 1.57724e+06 nanoseconds
+  total_linear_factor_time: 1.56572e+06 nanoseconds
+  total_linear_solve_time: 630749 nanoseconds 
\ No newline at end of file
diff --git a/test/tutorial/test_jit_tutorial.cpp b/test/tutorial/test_jit_tutorial.cpp
index 7eaa260d4..1d6b33961 100644
--- a/test/tutorial/test_jit_tutorial.cpp
+++ b/test/tutorial/test_jit_tutorial.cpp
@@ -1,9 +1,6 @@
 #include <chrono>
-#include <iomanip>
 #include <iostream>
-#include <map>
 
-// Each rate constant is in its own header file
 #include <micm/configure/solver_config.hpp>
 #include <micm/jit/jit_compiler.hpp>
 #include <micm/solver/jit_rosenbrock.hpp>
@@ -14,6 +11,7 @@ using namespace micm;
 
 constexpr size_t n_grid_cells = 1;
 
+// partial template specializations
 template<class T>
 using GroupVectorMatrix = micm::VectorMatrix<T, n_grid_cells>;
 template<class T>
@@ -33,7 +31,6 @@ auto run_solver(T& solver)
     state.conditions_[i].air_density_ = 1e6;     // mol m-3
   }
 
-
   state.SetCustomRateParameter("EMIS.NO",         std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.44e-10));
   state.SetCustomRateParameter("EMIS.NO2",        std::vector<double>(solver.parameters_.number_of_grid_cells_, 7.56e-12));
   state.SetCustomRateParameter("EMIS.CO",         std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.9600000000000003e-09));
@@ -198,4 +195,4 @@ int main(const int argc, const char* argv[])
     }
   }
   return 0;
-}
+}
\ No newline at end of file

From 97e139c645bb3c642608bda4d995b36571387ca1 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Fri, 27 Oct 2023 14:35:48 -0500
Subject: [PATCH 200/318] matrix tests

---
 test/unit/util/test_matrix.cpp                   |  5 +++++
 test/unit/util/test_matrix_policy.hpp            | 14 ++++++++++++++
 test/unit/util/test_sparse_matrix_policy.hpp     | 16 ++++++++++++++++
 .../test_sparse_matrix_standard_ordering.cpp     |  5 +++++
 .../util/test_sparse_matrix_vector_ordering.cpp  |  5 +++++
 test/unit/util/test_vector_matrix.cpp            |  8 ++++++++
 6 files changed, 53 insertions(+)

diff --git a/test/unit/util/test_matrix.cpp b/test/unit/util/test_matrix.cpp
index eed8abe25..9c0897c8c 100644
--- a/test/unit/util/test_matrix.cpp
+++ b/test/unit/util/test_matrix.cpp
@@ -96,4 +96,9 @@ TEST(Matrix, AssignmentFromVector)
 TEST(Matrix, ForEach)
 {
   testForEach<micm::Matrix>();
+}
+
+TEST(Matrix, SetScaler)
+{
+  testSetScalar<micm::Matrix>();
 }
\ No newline at end of file
diff --git a/test/unit/util/test_matrix_policy.hpp b/test/unit/util/test_matrix_policy.hpp
index f9ca8dd5e..23aa5f84b 100644
--- a/test/unit/util/test_matrix_policy.hpp
+++ b/test/unit/util/test_matrix_policy.hpp
@@ -230,5 +230,19 @@ MatrixPolicy<double> testForEach()
   matrix.ForEach([&](double a, double b, double c) { result += a + b - c; }, other, other2);
   EXPECT_NEAR(sum2, result, 1.0e-5);
 
+  return matrix;
+}
+
+template<template<class> class MatrixPolicy>
+MatrixPolicy<double> testSetScalar()
+{
+  MatrixPolicy<double> matrix{ 2, 3, 0.0 };
+
+  matrix = 2.0;
+
+  for(auto& elem : matrix.AsVector()) {
+    EXPECT_EQ(elem, 2.0);
+  }
+
   return matrix;
 }
\ No newline at end of file
diff --git a/test/unit/util/test_sparse_matrix_policy.hpp b/test/unit/util/test_sparse_matrix_policy.hpp
index 6dfe30660..74b44a36e 100644
--- a/test/unit/util/test_sparse_matrix_policy.hpp
+++ b/test/unit/util/test_sparse_matrix_policy.hpp
@@ -456,3 +456,19 @@ micm::SparseMatrix<int, OrderingPolicy> testMultiBlockMatrix()
       std::invalid_argument);
   return matrix;
 }
+
+template<class OrderingPolicy>
+micm::SparseMatrix<double, OrderingPolicy> testSetScalar()
+{
+  auto builder = micm::SparseMatrix<double, OrderingPolicy>::create(3);
+
+  micm::SparseMatrix<double, OrderingPolicy> matrix{ builder };
+
+  matrix = 2.0;
+
+  for(auto& elem : matrix.AsVector()) {
+    EXPECT_EQ(elem, 2.0);
+  }
+
+  return matrix;
+}
\ No newline at end of file
diff --git a/test/unit/util/test_sparse_matrix_standard_ordering.cpp b/test/unit/util/test_sparse_matrix_standard_ordering.cpp
index cdd2d0e35..c7e7b6dc4 100644
--- a/test/unit/util/test_sparse_matrix_standard_ordering.cpp
+++ b/test/unit/util/test_sparse_matrix_standard_ordering.cpp
@@ -17,6 +17,11 @@ TEST(SparseMatrix, ConstZeroMatrix)
   testConstZeroMatrix<StandardOrdering>();
 }
 
+TEST(SparseMatrix, SetScalar)
+{
+  testSetScalar<StandardOrdering>();
+}
+
 TEST(SparseMatrix, SingleBlockMatrix)
 {
   auto matrix = testSingleBlockMatrix<StandardOrdering>();
diff --git a/test/unit/util/test_sparse_matrix_vector_ordering.cpp b/test/unit/util/test_sparse_matrix_vector_ordering.cpp
index 1ee29c89b..28191e85b 100644
--- a/test/unit/util/test_sparse_matrix_vector_ordering.cpp
+++ b/test/unit/util/test_sparse_matrix_vector_ordering.cpp
@@ -15,6 +15,11 @@ TEST(SparseVectorMatrix, ConstZeroMatrix)
   testConstZeroMatrix<micm::SparseMatrixVectorOrdering<3>>();
 }
 
+TEST(SparseVectorMatrix, SetScalar)
+{
+  testSetScalar<micm::SparseMatrixVectorOrdering<3>>();
+}
+
 TEST(SparseVectorMatrix, SingleBlockMatrix)
 {
   auto matrix = testSingleBlockMatrix<micm::SparseMatrixVectorOrdering<4>>();
diff --git a/test/unit/util/test_vector_matrix.cpp b/test/unit/util/test_vector_matrix.cpp
index 1c8583a80..20d53fd67 100644
--- a/test/unit/util/test_vector_matrix.cpp
+++ b/test/unit/util/test_vector_matrix.cpp
@@ -89,4 +89,12 @@ TEST(VectorMatrix, ForEach)
   testForEach<Group2MatrixAlias>();
   testForEach<Group3MatrixAlias>();
   testForEach<Group4MatrixAlias>();
+}
+
+TEST(VectorMatrix, SetScaler)
+{
+  testSetScalar<Group1MatrixAlias>();
+  testSetScalar<Group2MatrixAlias>();
+  testSetScalar<Group3MatrixAlias>();
+  testSetScalar<Group4MatrixAlias>();
 }
\ No newline at end of file

From 173fbf97b112f4911899dfc7d3bb8a4ce997e14e Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Fri, 27 Oct 2023 14:58:45 -0500
Subject: [PATCH 201/318] saving progress

---
 test/unit/solver/test_jit_rosenbrock.cpp | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/test/unit/solver/test_jit_rosenbrock.cpp b/test/unit/solver/test_jit_rosenbrock.cpp
index 52b99ded3..4d88827c7 100644
--- a/test/unit/solver/test_jit_rosenbrock.cpp
+++ b/test/unit/solver/test_jit_rosenbrock.cpp
@@ -132,4 +132,9 @@ TEST(JitRosenbrockSolver, AlphaMinusJacobian)
   testAlphaMinusJacobian<2, Group2VectorMatrix, Group2SparseVectorMatrix>(jit.get());
   testAlphaMinusJacobian<3, Group3VectorMatrix, Group3SparseVectorMatrix>(jit.get());
   testAlphaMinusJacobian<4, Group4VectorMatrix, Group4SparseVectorMatrix>(jit.get());
+}
+
+TEST(JitRosenbrockSolver, MultipleInstances)
+{
+  auto jit{ micm::JitCompiler::create() };
 }
\ No newline at end of file

From 0132c67cbb9acda586fa667304167ed41297c99c Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Fri, 27 Oct 2023 15:00:08 -0500
Subject: [PATCH 202/318] algorithm

---
 include/micm/util/matrix.hpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/include/micm/util/matrix.hpp b/include/micm/util/matrix.hpp
index 329f386d6..f39ece820 100644
--- a/include/micm/util/matrix.hpp
+++ b/include/micm/util/matrix.hpp
@@ -3,6 +3,7 @@
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
 
+#include <algorithm>
 #include <cassert>
 #include <iostream>
 #include <micm/util/exit_codes.hpp>

From 379b6a38cdf3a3270bcff53d182d011338ed98fd Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Fri, 27 Oct 2023 15:24:16 -0500
Subject: [PATCH 203/318] adding random string to end of jit function names

---
 include/micm/process/jit_process_set.hpp     |  7 +-
 include/micm/solver/jit_linear_solver.hpp    |  1 +
 include/micm/solver/jit_linear_solver.inl    |  3 +-
 include/micm/solver/jit_lu_decomposition.hpp |  1 +
 include/micm/solver/jit_lu_decomposition.inl |  3 +-
 include/micm/solver/jit_rosenbrock.hpp       | 14 +---
 include/micm/util/random_string.hpp          | 30 ++++++++
 test/unit/solver/test_jit_rosenbrock.cpp     | 76 ++++++++++++++++++++
 8 files changed, 120 insertions(+), 15 deletions(-)
 create mode 100644 include/micm/util/random_string.hpp

diff --git a/include/micm/process/jit_process_set.hpp b/include/micm/process/jit_process_set.hpp
index ef3926beb..227df3eef 100644
--- a/include/micm/process/jit_process_set.hpp
+++ b/include/micm/process/jit_process_set.hpp
@@ -6,6 +6,7 @@
 #include <micm/jit/jit_compiler.hpp>
 #include <micm/jit/jit_function.hpp>
 #include <micm/process/process_set.hpp>
+#include <micm/util/random_string.hpp>
 #include <micm/util/sparse_matrix_vector_ordering.hpp>
 #include <micm/util/vector_matrix.hpp>
 
@@ -123,8 +124,9 @@ namespace micm
   template<std::size_t L>
   void JitProcessSet<L>::GenerateForcingFunction()
   {
+    std::string function_name = "add_forcing_terms_" + generate_random_string();
     JitFunction func = JitFunction::create(compiler_)
-                           .name("add_forcing_terms")
+                           .name(function_name)
                            .arguments({ { "rate constants", JitType::DoublePtr },
                                         { "state variables", JitType::DoublePtr },
                                         { "forcing", JitType::DoublePtr } })
@@ -224,8 +226,9 @@ namespace micm
   template<std::size_t L>
   void JitProcessSet<L>::GenerateJacobianFunction(const SparseMatrix<double, SparseMatrixVectorOrdering<L>> &matrix)
   {
+    std::string function_name = "add_jacobian_terms_" + generate_random_string();
     JitFunction func = JitFunction::create(compiler_)
-                           .name("add_jacobian_terms")
+                           .name(function_name)
                            .arguments({ { "rate constants", JitType::DoublePtr },
                                         { "state variables", JitType::DoublePtr },
                                         { "jacobian", JitType::DoublePtr } })
diff --git a/include/micm/solver/jit_linear_solver.hpp b/include/micm/solver/jit_linear_solver.hpp
index 11a6d2fe7..a3354e84e 100644
--- a/include/micm/solver/jit_linear_solver.hpp
+++ b/include/micm/solver/jit_linear_solver.hpp
@@ -7,6 +7,7 @@
 #include <micm/jit/jit_function.hpp>
 #include <micm/solver/jit_lu_decomposition.hpp>
 #include <micm/solver/linear_solver.hpp>
+#include <micm/util/random_string.hpp>
 #include <micm/util/sparse_matrix.hpp>
 #include <micm/util/sparse_matrix_vector_ordering.hpp>
 
diff --git a/include/micm/solver/jit_linear_solver.inl b/include/micm/solver/jit_linear_solver.inl
index 195ec27a1..894d21347 100644
--- a/include/micm/solver/jit_linear_solver.inl
+++ b/include/micm/solver/jit_linear_solver.inl
@@ -86,8 +86,9 @@ namespace micm
   template<std::size_t L, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
   inline void JitLinearSolver<L, SparseMatrixPolicy, LuDecompositionPolicy>::GenerateSolveFunction()
   {
+    std::string function_name = "linear_solve_" + generate_random_string();
     JitFunction func = JitFunction::create(compiler_)
-                           .name("linear_solve")
+                           .name(function_name)
                            .arguments({ { "b", JitType::DoublePtr },
                                         { "x", JitType::DoublePtr },
                                         { "L", JitType::DoublePtr },
diff --git a/include/micm/solver/jit_lu_decomposition.hpp b/include/micm/solver/jit_lu_decomposition.hpp
index 5d44d26f4..e5b2959ab 100644
--- a/include/micm/solver/jit_lu_decomposition.hpp
+++ b/include/micm/solver/jit_lu_decomposition.hpp
@@ -6,6 +6,7 @@
 #include <micm/jit/jit_compiler.hpp>
 #include <micm/jit/jit_function.hpp>
 #include <micm/solver/lu_decomposition.hpp>
+#include <micm/util/random_string.hpp>
 #include <micm/util/sparse_matrix_vector_ordering.hpp>
 
 namespace micm
diff --git a/include/micm/solver/jit_lu_decomposition.inl b/include/micm/solver/jit_lu_decomposition.inl
index a1a3cbb28..71677ac28 100644
--- a/include/micm/solver/jit_lu_decomposition.inl
+++ b/include/micm/solver/jit_lu_decomposition.inl
@@ -53,8 +53,9 @@ namespace micm
   template<std::size_t L>
   void JitLuDecomposition<L>::GenerateDecomposeFunction()
   {
+    std::string function_name = "lu_decompose_" + generate_random_string();
     JitFunction func = JitFunction::create(compiler_)
-                           .name("lu_decompose")
+                           .name(function_name)
                            .arguments({ { "A matrix", JitType::DoublePtr },
                                         { "lower matrix", JitType::DoublePtr },
                                         { "upper matrix", JitType::DoublePtr } })
diff --git a/include/micm/solver/jit_rosenbrock.hpp b/include/micm/solver/jit_rosenbrock.hpp
index 3380ed713..8a8fefadb 100644
--- a/include/micm/solver/jit_rosenbrock.hpp
+++ b/include/micm/solver/jit_rosenbrock.hpp
@@ -21,6 +21,7 @@
 #include <micm/jit/jit_function.hpp>
 #include <micm/solver/jit_linear_solver.hpp>
 #include <micm/solver/rosenbrock.hpp>
+#include <micm/util/random_string.hpp>
 #include <micm/util/sparse_matrix_vector_ordering.hpp>
 #include <micm/util/vector_matrix.hpp>
 
@@ -119,20 +120,11 @@ namespace micm
       std::size_t n_cells = this->jacobian_.GroupVectorSize();
       std::size_t number_of_nonzero_jacobian_elements = this->jacobian_.AsVector().size();
 
-      // Get the current timestamp using std::chrono::high_resolution_clock
-      std::chrono::high_resolution_clock::time_point now = std::chrono::high_resolution_clock::now();
-      std::chrono::nanoseconds ns = std::chrono::duration_cast<std::chrono::nanoseconds>(now.time_since_epoch());
-      long long timestamp = ns.count();
-
-      // Convert the timestamp to a string
-      std::string timestampStr = std::to_string(timestamp);
-
-      // Create the function name with the timestamp
-      std::string functionName = "alpha_minus_jacobian_" + timestampStr;
+      std::string function_name = "alpha_minus_jacobian_" + generate_random_string();
 
       // Create the JitFunction with the modified name
       JitFunction func = JitFunction::create(compiler_)
-                             .name("alpha_minus_jacobian")
+                             .name(function_name)
                              .arguments({ { "jacobian", JitType::DoublePtr }, { "alpha", JitType::Double } })
                              .return_type(JitType::Void);
 
diff --git a/include/micm/util/random_string.hpp b/include/micm/util/random_string.hpp
new file mode 100644
index 000000000..c48e7a1aa
--- /dev/null
+++ b/include/micm/util/random_string.hpp
@@ -0,0 +1,30 @@
+// Copyright (C) 2023 National Center for Atmospheric Research,
+//
+// SPDX-License-Identifier: Apache-2.0
+#pragma once
+
+#include <string>
+#include <chrono>
+#include <random>
+
+namespace micm
+{
+  std::string generate_random_string()
+  {
+    auto now = std::chrono::system_clock::now();
+    auto epoch = now.time_since_epoch();
+    auto timestamp = std::chrono::duration_cast<std::chrono::seconds>(epoch).count();
+
+    std::random_device rd;
+    std::mt19937 gen(rd());
+    std::uniform_int_distribution<int> dist(0, 9999);
+    int randomNum = dist(gen);
+
+    std::string randomNumStr = std::to_string(randomNum);
+    std::string timestampStr = std::to_string(timestamp);
+
+    std::string result = timestampStr + randomNumStr;
+
+    return result;
+  }
+}  // namespace micm
\ No newline at end of file
diff --git a/test/unit/solver/test_jit_rosenbrock.cpp b/test/unit/solver/test_jit_rosenbrock.cpp
index 4d88827c7..8abcd755a 100644
--- a/test/unit/solver/test_jit_rosenbrock.cpp
+++ b/test/unit/solver/test_jit_rosenbrock.cpp
@@ -1,5 +1,6 @@
 #include <gtest/gtest.h>
 
+#include <micm/configure/solver_config.hpp>
 #include <micm/jit/jit_compiler.hpp>
 #include <micm/process/arrhenius_rate_constant.hpp>
 #include <micm/solver/jit_rosenbrock.hpp>
@@ -120,6 +121,31 @@ using Group3SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorO
 template<class T>
 using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<4>>;
 
+void run_solver(auto& solver)
+{
+  auto state = solver.GetState();
+
+  state.variables_ = { 1, 0, 0 };
+
+  state.conditions_[0].temperature_ = 287.45;  // K
+  state.conditions_[0].pressure_ = 101319.9;   // Pa
+  state.conditions_[0].air_density_ = 1e6;     // mol m-3
+
+  double time_step = 500;  // s
+
+  for (int i = 0; i < 10; ++i)
+  {
+    double elapsed_solve_time = 0;
+
+    while (elapsed_solve_time < time_step)
+    {
+      auto result = solver.template Solve<true>(time_step - elapsed_solve_time, state);
+      elapsed_solve_time = result.final_time_;
+      state.variables_ = result.result_;
+    }
+  }
+}
+
 TEST(JitRosenbrockSolver, AlphaMinusJacobian)
 {
   auto jit{ micm::JitCompiler::create() };
@@ -137,4 +163,54 @@ TEST(JitRosenbrockSolver, AlphaMinusJacobian)
 TEST(JitRosenbrockSolver, MultipleInstances)
 {
   auto jit{ micm::JitCompiler::create() };
+
+  micm::SolverConfig solverConfig;
+  std::string config_path = "./unit_configs/robertson";
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse(config_path);
+  if (status != micm::ConfigParseStatus::Success)
+  {
+    throw "Parsing failed";
+  }
+
+  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
+
+  auto chemical_system = solver_params.system_;
+  auto reactions = solver_params.processes_;
+
+  auto solver_parameters = micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters();
+
+  micm::JitRosenbrockSolver<
+    Group1VectorMatrix, 
+    Group1SparseVectorMatrix, 
+    micm::JitLinearSolver<1, Group1SparseVectorMatrix>
+    > solver1(
+      jit.get(), 
+      chemical_system, 
+      reactions, 
+      solver_parameters 
+    );
+  micm::JitRosenbrockSolver<
+    Group1VectorMatrix, 
+    Group1SparseVectorMatrix, 
+    micm::JitLinearSolver<1, Group1SparseVectorMatrix>
+    > solver2(
+      jit.get(), 
+      chemical_system, 
+      reactions, 
+      solver_parameters 
+    );
+  micm::JitRosenbrockSolver<
+    Group1VectorMatrix, 
+    Group1SparseVectorMatrix, 
+    micm::JitLinearSolver<1, Group1SparseVectorMatrix>
+    > solver3(
+      jit.get(), 
+      chemical_system, 
+      reactions, 
+      solver_parameters 
+    );
+
+    run_solver(solver1);
+    run_solver(solver2);
+    run_solver(solver3);
 }
\ No newline at end of file

From d7be5426d2a147928b277a8cb5bf51e5e05ef2fc Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Fri, 27 Oct 2023 15:52:46 -0500
Subject: [PATCH 204/318] adding multiple instance of a jit test

---
 test/unit/solver/test_jit_rosenbrock.cpp | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/test/unit/solver/test_jit_rosenbrock.cpp b/test/unit/solver/test_jit_rosenbrock.cpp
index 8abcd755a..939100fdf 100644
--- a/test/unit/solver/test_jit_rosenbrock.cpp
+++ b/test/unit/solver/test_jit_rosenbrock.cpp
@@ -125,7 +125,7 @@ void run_solver(auto& solver)
 {
   auto state = solver.GetState();
 
-  state.variables_ = { 1, 0, 0 };
+  state.variables_[0] = { 1, 0, 0 };
 
   state.conditions_[0].temperature_ = 287.45;  // K
   state.conditions_[0].pressure_ = 101319.9;   // Pa
@@ -139,7 +139,7 @@ void run_solver(auto& solver)
 
     while (elapsed_solve_time < time_step)
     {
-      auto result = solver.template Solve<true>(time_step - elapsed_solve_time, state);
+      auto result = solver.Solve(time_step - elapsed_solve_time, state);
       elapsed_solve_time = result.final_time_;
       state.variables_ = result.result_;
     }
@@ -213,4 +213,4 @@ TEST(JitRosenbrockSolver, MultipleInstances)
     run_solver(solver1);
     run_solver(solver2);
     run_solver(solver3);
-}
\ No newline at end of file
+}

From 0f8c579fa2d383c7559d6e87b795369d649c545f Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Fri, 27 Oct 2023 16:53:11 -0500
Subject: [PATCH 205/318] 279 make solve function for ode solvers thread safe
 (#322)

* decoupling solver stats

* put the jacobian on the state

* moving L and U to state

* tests pass

* added openmp test

* stuff

* adding a test for the jit solver for thread safety

* removing data member

* removing N

* ordering state parameters

* more ordering...

* ordering

* ordering

* fixing some things?

* thing

* fixing cuda stuff?

* correcting analytical tests

* removing duplicate linkage of LLVM with the tests

* removing system from rosenbrock solver

* moving solver parameters into its own file

* removing invalid state constructor

* removing state from jit process set

* removing assert

* setting variable names

* removing parallel build to see if clang builds

* verbose build on clang

* attempting to force libc++ for clang to make test pass

* only linking libc++ if on linux...

* matching linux properly

* comment
---
 .github/workflows/ubuntu.yml                  |   2 +-
 CMakeLists.txt                                |   6 +
 cmake/test_util.cmake                         |   8 -
 docker/Dockerfile                             |   2 +-
 docs/source/conf.py                           |   2 +
 .../user_defined_rate_constant_tutorial.rst   |   4 +-
 .../micm/process/arrhenius_rate_constant.hpp  |  10 +
 .../micm/process/branched_rate_constant.hpp   |  10 +
 include/micm/process/cuda_process_set.hpp     |  18 +-
 include/micm/process/jit_process_set.hpp      |  12 +-
 include/micm/process/process.hpp              |  16 +-
 include/micm/process/process_set.hpp          |  12 +-
 include/micm/process/rate_constant.hpp        |   9 +
 .../micm/process/surface_rate_constant.hpp    |  11 +
 ...nary_chemical_activation_rate_constant.hpp |  11 +
 include/micm/process/troe_rate_constant.hpp   |  10 +
 .../micm/process/tunneling_rate_constant.hpp  |  10 +
 .../process/user_defined_rate_constant.hpp    |  10 +
 include/micm/solver/cuda_lu_decomposition.hpp |   9 +-
 include/micm/solver/jit_linear_solver.hpp     |  17 +-
 include/micm/solver/jit_linear_solver.inl     |  21 +-
 include/micm/solver/jit_rosenbrock.hpp        |   7 +-
 include/micm/solver/linear_solver.hpp         |  20 +-
 include/micm/solver/linear_solver.inl         |  54 +-
 include/micm/solver/rosenbrock.hpp            | 172 ++----
 include/micm/solver/rosenbrock.inl            | 522 +++---------------
 .../solver/rosenbrock_solver_parameters.hpp   | 462 ++++++++++++++++
 include/micm/solver/state.hpp                 |  34 +-
 include/micm/solver/state.inl                 |  79 ++-
 include/micm/util/cuda_param.hpp              |  10 +-
 include/micm/util/exit_codes.hpp              |  12 -
 include/micm/util/jacobian.hpp                |  24 +
 include/micm/util/matrix.hpp                  |   9 +-
 include/micm/util/vector_matrix.hpp           |   7 +-
 src/CMakeLists.txt                            |   8 +-
 test/integration/analytical_rosenbrock.cpp    |  10 +-
 test/integration/chapman.cpp                  |   2 +-
 test/integration/e5.hpp                       |  50 +-
 test/integration/hires.hpp                    |  50 +-
 test/integration/oregonator.hpp               |  50 +-
 test/integration/terminator.hpp               |   2 +-
 test/kpp/test_kpp_to_micm.cpp                 |   4 +-
 .../RosenbrockChapman/chapman_ode_solver.hpp  |  17 +-
 .../regression_test_dforce_dy_policy.hpp      |   2 +-
 test/tutorial/test_but_how_fast_is_it.cpp     |   2 +-
 test/tutorial/test_multiple_grid_cells.cpp    |   6 +-
 test/tutorial/test_openmp.cpp                 |  15 +-
 ...st_rate_constants_user_defined_by_hand.cpp |   4 +-
 ...ate_constants_user_defined_with_config.cpp |   4 +-
 test/tutorial/test_solver_configuration.cpp   |  10 +-
 test/unit/openmp/CMakeLists.txt               |   5 +-
 test/unit/openmp/run_solver.hpp               |  40 ++
 test/unit/openmp/test_openmp.cpp              |  69 +--
 test/unit/openmp/test_openmp_jit_solver.cpp   |  64 +++
 .../process/test_arrhenius_rate_constant.cpp  |  34 +-
 .../process/test_branched_rate_constant.cpp   |  22 +-
 test/unit/process/test_cuda_process_set.cpp   |  26 +-
 test/unit/process/test_jit_process_set.cpp    |  20 +-
 test/unit/process/test_process.cpp            |   8 +-
 test/unit/process/test_process_set.cpp        |  38 +-
 test/unit/process/test_process_set_policy.hpp |  20 +-
 .../process/test_surface_rate_constant.cpp    |  19 +-
 ...nary_chemical_activation_rate_constant.cpp |  22 +-
 test/unit/process/test_troe_rate_constant.cpp |  44 +-
 .../process/test_tunneling_rate_constant.cpp  |  16 +-
 .../test_user_defined_rate_constant.cpp       |  29 +-
 test/unit/solver/test_jit_rosenbrock.cpp      |   2 +-
 .../unit/solver/test_linear_solver_policy.hpp |  22 +-
 test/unit/solver/test_rosenbrock.cpp          |   2 +-
 test/unit/solver/test_state.cpp               | 100 ++--
 test/unit/util/test_matrix_policy.hpp         |   4 +-
 71 files changed, 1415 insertions(+), 1049 deletions(-)
 create mode 100644 include/micm/solver/rosenbrock_solver_parameters.hpp
 delete mode 100644 include/micm/util/exit_codes.hpp
 create mode 100644 include/micm/util/jacobian.hpp
 create mode 100644 test/unit/openmp/run_solver.hpp
 create mode 100644 test/unit/openmp/test_openmp_jit_solver.cpp

diff --git a/.github/workflows/ubuntu.yml b/.github/workflows/ubuntu.yml
index 3cd9aad7c..64b81798f 100644
--- a/.github/workflows/ubuntu.yml
+++ b/.github/workflows/ubuntu.yml
@@ -48,7 +48,7 @@ jobs:
         run: cmake -S . -B build -D CMAKE_BUILD_TYPE=${{ matrix.build_type }}
 
       - name: Build
-        run: cmake --build build --parallel 10
+        run: cmake --build build --verbose
 
       - name: Run tests
         run: |
diff --git a/CMakeLists.txt b/CMakeLists.txt
index 5ea8bc748..9d40148da 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -51,6 +51,12 @@ endif()
 
 add_compile_definitions(DEFAULT_VECTOR_SIZE=${DEFAULT_VECTOR_MATRIX_SIZE})
 
+# on ubuntu with clang, an incorrect version of the c++ standard library was being linked
+if (${CMAKE_HOST_SYSTEM_NAME} MATCHES "Linux" AND "${CMAKE_CXX_COMPILER_ID}" STREQUAL "Clang")
+    # If the compiler is Clang, use libc++
+    set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -stdlib=libc++")
+endif()
+
 ################################################################################
 # Dependencies
 
diff --git a/cmake/test_util.cmake b/cmake/test_util.cmake
index eb843efc6..c369165d1 100644
--- a/cmake/test_util.cmake
+++ b/cmake/test_util.cmake
@@ -25,14 +25,6 @@ function(create_standard_test)
     target_link_libraries(test_${TEST_NAME} PUBLIC ${library})
   endforeach()
 
-  if(ENABLE_JSON)
-    target_link_libraries(test_${TEST_NAME} PRIVATE nlohmann_json::nlohmann_json)
-  endif()
-
-  if(ENABLE_LLVM)
-    target_link_libraries(test_${TEST_NAME} PRIVATE ${llvm_libs})
-  endif()
-
   if(NOT DEFINED TEST_WORKING_DIRECTORY)
     set(TEST_WORKING_DIRECTORY "${CMAKE_BINARY_DIR}")
   endif()
diff --git a/docker/Dockerfile b/docker/Dockerfile
index 1954e7222..89d7c89ea 100644
--- a/docker/Dockerfile
+++ b/docker/Dockerfile
@@ -20,7 +20,7 @@ RUN mkdir /build \
         -D CMAKE_BUILD_TYPE=debug \
         -D ENABLE_CLANG_TIDY:BOOL=FALSE \
         ../micm \
-      && make install -j 8
+      && make install -j
 
 # now test if we can use the installed files
 RUN cd /micm/test/integration/cmake/find_package \
diff --git a/docs/source/conf.py b/docs/source/conf.py
index 15a34ab77..68a05905a 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -66,6 +66,8 @@
         "json_url": "https://ncar.github.io/micm/_static/switcher.json",
         "version_match": release,
     },
+   "pygment_light_style": "tango",
+   "pygment_dark_style": "monokai"
 }
 
 html_css_files = [
diff --git a/docs/source/user_guide/user_defined_rate_constant_tutorial.rst b/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
index a36d7246d..46f1b6028 100644
--- a/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
+++ b/docs/source/user_guide/user_defined_rate_constant_tutorial.rst
@@ -194,7 +194,7 @@ Finally, set and upate the rate constants as needed:
              // so we need to track how much time the solver was able to integrate for and continue
              // solving until we finish
              double elapsed_solve_time = 0;
-          +  state.SetCustomRateParameter("PHOTO.my photolysis rate", photo_rate);
+             +state.SetCustomRateParameter("PHOTO.my photolysis rate", photo_rate);
 
              while (elapsed_solve_time < time_step)
              {
@@ -205,7 +205,7 @@ Finally, set and upate the rate constants as needed:
              }
 
              print_state(time_step * (i + 1), state);
-          +   photo_rate *= 1.5;
+             +photo_rate *= 1.5;
            }
 
 And this is final output. Notice that the concentration of G ends up much higher than in 
diff --git a/include/micm/process/arrhenius_rate_constant.hpp b/include/micm/process/arrhenius_rate_constant.hpp
index ac4f04bc3..e680903c1 100644
--- a/include/micm/process/arrhenius_rate_constant.hpp
+++ b/include/micm/process/arrhenius_rate_constant.hpp
@@ -47,6 +47,11 @@ namespace micm
     /// @return A rate constant based off of the conditions in the system
     double calculate(const Conditions& conditions, std::vector<double>::const_iterator custom_parameters) const override;
 
+    /// @brief Calculate the rate constant
+    /// @param conditions The current environmental conditions of the chemical system
+    /// @return A rate constant based off of the conditions in the system
+    double calculate(const Conditions& conditions) const override;
+
     double calculate(const double& temperature, const double& pressure) const;
   };
 
@@ -72,6 +77,11 @@ namespace micm
     return calculate(conditions.temperature_, conditions.pressure_);
   }
 
+  inline double ArrheniusRateConstant::calculate(const Conditions& conditions) const
+  {
+    return calculate(conditions.temperature_, conditions.pressure_);
+  }
+
   inline double ArrheniusRateConstant::calculate(const double& temperature, const double& pressure) const
   {
     return parameters_.A_ * std::exp(parameters_.C_ / temperature) * std::pow(temperature / parameters_.D_, parameters_.B_) *
diff --git a/include/micm/process/branched_rate_constant.hpp b/include/micm/process/branched_rate_constant.hpp
index 58dd177ff..8291bd7dc 100644
--- a/include/micm/process/branched_rate_constant.hpp
+++ b/include/micm/process/branched_rate_constant.hpp
@@ -54,6 +54,11 @@ namespace micm
     /// @return A rate constant based off of the conditions in the system
     double calculate(const Conditions& conditions, std::vector<double>::const_iterator custom_parameters) const override;
 
+    /// @brief Calculate the rate constant
+    /// @param conditions The current environmental conditions of the chemical system
+    /// @return A rate constant based off of the conditions in the system
+    double calculate(const Conditions& conditions) const override;
+
     /// @brief Calculate the rate constant
     /// @param temperature Temperature in [K]
     /// @param air_number_density Number density in [mol m-3]
@@ -92,6 +97,11 @@ namespace micm
     return calculate(conditions.temperature_, conditions.air_density_);
   }
 
+  inline double BranchedRateConstant::calculate(const Conditions& conditions) const
+  {
+    return calculate(conditions.temperature_, conditions.air_density_);
+  }
+
   inline double BranchedRateConstant::calculate(const double& temperature, const double& air_number_density) const
   {
     double pre = parameters_.X_ * std::exp(-parameters_.Y_ / temperature);
diff --git a/include/micm/process/cuda_process_set.hpp b/include/micm/process/cuda_process_set.hpp
index e3f352fcc..31b3d580a 100644
--- a/include/micm/process/cuda_process_set.hpp
+++ b/include/micm/process/cuda_process_set.hpp
@@ -5,12 +5,8 @@
 
 #include <micm/process/process_set.hpp>
 #include <micm/util/cuda_param.hpp>
+#include <micm/process/cuda_process_set.cuh>
 
-#ifdef USE_CUDA
-#  include <micm/process/cuda_process_set.cuh>
-#endif
-
-#ifdef USE_CUDA
 namespace micm
 {
   /// @brief A GPU-based implementation of ProcessSet
@@ -20,8 +16,7 @@ namespace micm
     /// @brief Create a process set calculator for a given set of processes
     /// @param processes Processes to create calculator for
     /// @param state Solver state
-    template<template<class> class MatrixPolicy>
-    CudaProcessSet(const std::vector<Process>& processes, const State<MatrixPolicy>& state);
+    CudaProcessSet(const std::vector<Process>& processes, const std::map<std::string, std::size_t>& variable_map);
 
     template<template<class> typename MatrixPolicy>
     requires VectorizableDense<MatrixPolicy<double>> std::chrono::nanoseconds AddForcingTerms(
@@ -39,9 +34,8 @@ namespace micm
     const;
   };
 
-  template<template<class> class MatrixPolicy>
-  inline CudaProcessSet::CudaProcessSet(const std::vector<Process>& processes, const State<MatrixPolicy>& state)
-      : ProcessSet(processes, state)
+  inline CudaProcessSet::CudaProcessSet(const std::vector<Process>& processes, const std::map<std::string, std::size_t>& variable_map)
+      : ProcessSet(processes, variable_map)
   {
   }
 
@@ -73,6 +67,7 @@ namespace micm
     std::chrono::nanoseconds kernel_duration = micm::cuda::AddForcingTermsKernelDriver(matrix, processSet);
     return kernel_duration;  // time performance of kernel function
   }
+
   template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
   requires VectorizableDense<MatrixPolicy<double>> && VectorizableSparse<SparseMatrixPolicy<double>>
   inline std::chrono::nanoseconds CudaProcessSet::AddJacobianTerms(
@@ -104,5 +99,4 @@ namespace micm
     std::chrono::nanoseconds kernel_duration = micm::cuda::AddJacobianTermsKernelDriver(matrix, sparseMatrix, processSet);
     return kernel_duration;  // time performance of kernel function
   }
-}  // namespace micm
-#endif
\ No newline at end of file
+}  // namespace micm
\ No newline at end of file
diff --git a/include/micm/process/jit_process_set.hpp b/include/micm/process/jit_process_set.hpp
index ef3926beb..077de39df 100644
--- a/include/micm/process/jit_process_set.hpp
+++ b/include/micm/process/jit_process_set.hpp
@@ -33,11 +33,10 @@ namespace micm
     /// @param compiler JIT compiler
     /// @param processes Processes to create calculator for
     /// @param state Solver state
-    template<template<class> class MatrixPolicy>
     JitProcessSet(
         std::shared_ptr<JitCompiler> compiler,
         const std::vector<Process> &processes,
-        const State<MatrixPolicy> &state);
+        const std::map<std::string, std::size_t>& variable_map);
 
     ~JitProcessSet();
 
@@ -103,20 +102,15 @@ namespace micm
   }
 
   template<std::size_t L>
-  template<template<class> class MatrixPolicy>
   inline JitProcessSet<L>::JitProcessSet(
       std::shared_ptr<JitCompiler> compiler,
       const std::vector<Process> &processes,
-      const State<MatrixPolicy> &state)
-      : ProcessSet(processes, state),
+      const std::map<std::string, std::size_t>& variable_map)
+      : ProcessSet(processes, variable_map),
         compiler_(compiler)
   {
     forcing_function_ = NULL;
     jacobian_function_ = NULL;
-    if (state.variables_.size() != L || state.variables_.GroupVectorSize() != L)
-    {
-      throw std::runtime_error("Invalid state for JitProcessSet. Check the the VectorMatrix template parameters.");
-    }
     this->GenerateForcingFunction();
   }
 
diff --git a/include/micm/process/process.hpp b/include/micm/process/process.hpp
index f19386c9b..cf86a4692 100644
--- a/include/micm/process/process.hpp
+++ b/include/micm/process/process.hpp
@@ -42,14 +42,14 @@ namespace micm
     /// @brief Update the solver state rate constants
     /// @param processes The set of processes being solved
     /// @param state The solver state to update
-    template<template<class> class MatrixPolicy>
+    template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
     requires(!VectorizableDense<MatrixPolicy<double>>) static void UpdateState(
         const std::vector<Process>& processes,
-        State<MatrixPolicy>& state);
-    template<template<class> class MatrixPolicy>
+        State<MatrixPolicy, SparseMatrixPolicy>& state);
+    template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
     requires(VectorizableDense<MatrixPolicy<double>>) static void UpdateState(
         const std::vector<Process>& processes,
-        State<MatrixPolicy>& state);
+        State<MatrixPolicy, SparseMatrixPolicy>& state);
 
     friend class ProcessBuilder;
     static ProcessBuilder create();
@@ -105,10 +105,10 @@ namespace micm
     ProcessBuilder& phase(const Phase& phase);
   };
 
-  template<template<class> class MatrixPolicy>
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
   requires(!VectorizableDense<MatrixPolicy<double>>) void Process::UpdateState(
       const std::vector<Process>& processes,
-      State<MatrixPolicy>& state)
+      State<MatrixPolicy, SparseMatrixPolicy>& state)
   {
     for (std::size_t i{}; i < state.custom_rate_parameters_.size(); ++i)
     {
@@ -128,10 +128,10 @@ namespace micm
     }
   }
 
-  template<template<class> class MatrixPolicy>
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
   requires(VectorizableDense<MatrixPolicy<double>>) void Process::UpdateState(
       const std::vector<Process>& processes,
-      State<MatrixPolicy>& state)
+      State<MatrixPolicy, SparseMatrixPolicy>& state)
   {
     const auto& v_custom_parameters = state.custom_rate_parameters_.AsVector();
     auto& v_rate_constants = state.rate_constants_.AsVector();
diff --git a/include/micm/process/process_set.hpp b/include/micm/process/process_set.hpp
index 5942157cb..f7836f7c6 100644
--- a/include/micm/process/process_set.hpp
+++ b/include/micm/process/process_set.hpp
@@ -29,9 +29,8 @@ namespace micm
 
     /// @brief Create a process set calculator for a given set of processes
     /// @param processes Processes to create calculator for
-    /// @param state Solver state
-    template<template<class> class MatrixPolicy>
-    ProcessSet(const std::vector<Process>& processes, const State<MatrixPolicy>& state);
+    /// @param StateParameters Solver state
+    ProcessSet(const std::vector<Process>& processes, const std::map<std::string, std::size_t>& variable_map);
 
     /// @brief Return the full set of non-zero Jacobian elements for the set of processes
     /// @return Jacobian elements as a set of index pairs
@@ -74,8 +73,7 @@ namespace micm
         SparseMatrixPolicy<double>& jacobian) const;
   };
 
-  template<template<class> class MatrixPolicy>
-  inline ProcessSet::ProcessSet(const std::vector<Process>& processes, const State<MatrixPolicy>& state)
+  inline ProcessSet::ProcessSet(const std::vector<Process>& processes, const std::map<std::string, std::size_t>& variable_map)
       : number_of_reactants_(),
         reactant_ids_(),
         number_of_products_(),
@@ -90,14 +88,14 @@ namespace micm
       {
         if (reactant.IsParameterized())
           continue;  // Skip reactants that are parameterizations
-        reactant_ids_.push_back(state.variable_map_.at(reactant.name_));
+        reactant_ids_.push_back(variable_map.at(reactant.name_));
         ++number_of_reactants;
       }
       for (auto& product : process.products_)
       {
         if (product.first.IsParameterized())
           continue;  // Skip products that are parameterizations
-        product_ids_.push_back(state.variable_map_.at(product.first.name_));
+        product_ids_.push_back(variable_map.at(product.first.name_));
         yields_.push_back(product.second);
         ++number_of_products;
       }
diff --git a/include/micm/process/rate_constant.hpp b/include/micm/process/rate_constant.hpp
index 036571190..2dd82e9eb 100644
--- a/include/micm/process/rate_constant.hpp
+++ b/include/micm/process/rate_constant.hpp
@@ -36,6 +36,15 @@ namespace micm
       return 0;
     }
 
+    /// @brief Calculate the rate constant for a set of conditions
+    /// @param conditions The current environmental conditions of the chemical system
+    /// @param custom_parameters User defined rate constant parameters
+    /// @return The reaction rate constant
+    virtual double calculate(const Conditions& conditions) const
+    {
+      return 0;
+    }
+
     /// @brief Calculate the rate constant for a set of conditions
     /// @param conditions The current environmental conditions of the chemical system
     /// @param custom_parameters User defined rate constant parameters
diff --git a/include/micm/process/surface_rate_constant.hpp b/include/micm/process/surface_rate_constant.hpp
index 1781f51f3..e72cb477e 100644
--- a/include/micm/process/surface_rate_constant.hpp
+++ b/include/micm/process/surface_rate_constant.hpp
@@ -56,6 +56,11 @@ namespace micm
     /// @param custom_parameters User-defined rate constant parameters
     /// @return A rate constant based off of the conditions in the system
     double calculate(const Conditions& conditions, std::vector<double>::const_iterator custom_parameters) const override;
+
+    /// @brief Calculate the rate constant
+    /// @param conditions The current environmental conditions of the chemical system
+    /// @return A rate constant based off of the conditions in the system
+    double calculate(const Conditions& conditions) const override;
   };
 
   inline SurfaceRateConstant::SurfaceRateConstant(const SurfaceRateConstantParameters& parameters)
@@ -70,6 +75,12 @@ namespace micm
     return std::unique_ptr<RateConstant>{ new SurfaceRateConstant{ *this } };
   }
 
+  inline double SurfaceRateConstant::calculate(
+      const Conditions& conditions) const
+  {
+    throw std::runtime_error("Surface rate constants must be supplied with a radius and number density using the alternative calculate function");
+  }
+
   inline double SurfaceRateConstant::calculate(
       const Conditions& conditions,
       std::vector<double>::const_iterator custom_parameters) const
diff --git a/include/micm/process/ternary_chemical_activation_rate_constant.hpp b/include/micm/process/ternary_chemical_activation_rate_constant.hpp
index 715fce2d2..afd80844f 100644
--- a/include/micm/process/ternary_chemical_activation_rate_constant.hpp
+++ b/include/micm/process/ternary_chemical_activation_rate_constant.hpp
@@ -52,6 +52,11 @@ namespace micm
     /// @return A rate constant based off of the conditions in the system
     double calculate(const Conditions& conditions, std::vector<double>::const_iterator custom_parameters) const override;
 
+    /// @brief Calculate the rate constant
+    /// @param conditions The current environmental conditions of the chemical system
+    /// @return A rate constant based off of the conditions in the system
+    double calculate(const Conditions& conditions) const override;
+
     /// @brief Calculate the rate constant
     /// @param temperature Temperature in [K]
     /// @param air_number_density Number density in [mol m-3]
@@ -75,6 +80,12 @@ namespace micm
     return std::unique_ptr<RateConstant>{ new TernaryChemicalActivationRateConstant{ *this } };
   }
 
+  inline double TernaryChemicalActivationRateConstant::calculate(const Conditions& conditions) const
+  {
+    double val = calculate(conditions.temperature_, conditions.air_density_);
+    return val;
+  }
+
   inline double TernaryChemicalActivationRateConstant::calculate(
       const Conditions& conditions,
       std::vector<double>::const_iterator custom_parameters) const
diff --git a/include/micm/process/troe_rate_constant.hpp b/include/micm/process/troe_rate_constant.hpp
index 9c6fa85c0..f721720f6 100644
--- a/include/micm/process/troe_rate_constant.hpp
+++ b/include/micm/process/troe_rate_constant.hpp
@@ -52,6 +52,11 @@ namespace micm
     /// @return A rate constant based off of the conditions in the system
     double calculate(const Conditions& conditions, std::vector<double>::const_iterator custom_parameters) const override;
 
+    /// @brief Calculate the rate constant
+    /// @param conditions The current environmental conditions of the chemical system
+    /// @return A rate constant based off of the conditions in the system
+    double calculate(const Conditions& conditions) const override;
+
     /// @brief Calculate the rate constant
     /// @param temperature Temperature in [K]
     /// @param air_number_density Number density in [mol m-3]
@@ -74,6 +79,11 @@ namespace micm
     return std::unique_ptr<RateConstant>{ new TroeRateConstant{ *this } };
   }
 
+  inline double TroeRateConstant::calculate(const Conditions& conditions) const
+  {
+    return calculate(conditions.temperature_, conditions.air_density_);
+  }
+
   inline double TroeRateConstant::calculate(
       const Conditions& conditions,
       std::vector<double>::const_iterator custom_parameters) const
diff --git a/include/micm/process/tunneling_rate_constant.hpp b/include/micm/process/tunneling_rate_constant.hpp
index 26b366b83..deab180c8 100644
--- a/include/micm/process/tunneling_rate_constant.hpp
+++ b/include/micm/process/tunneling_rate_constant.hpp
@@ -42,6 +42,11 @@ namespace micm
     /// @return A rate constant based off of the conditions in the system
     double calculate(const Conditions& conditions, std::vector<double>::const_iterator custom_parameters) const override;
 
+    /// @brief Calculate the rate constant
+    /// @param conditions The current environmental conditions of the chemical system
+    /// @return A rate constant based off of the conditions in the system
+    double calculate(const Conditions& conditions) const override;
+
     /// @brief Calculate the rate constant
     /// @param temperature Temperature in [K]
     /// @return the calculated rate constant
@@ -63,6 +68,11 @@ namespace micm
     return std::unique_ptr<RateConstant>{ new TunnelingRateConstant{ *this } };
   }
 
+  inline double TunnelingRateConstant::calculate(const Conditions& conditions) const
+  {
+    return calculate(conditions.temperature_);
+  }
+
   inline double TunnelingRateConstant::calculate(
       const Conditions& conditions,
       std::vector<double>::const_iterator custom_parameters) const
diff --git a/include/micm/process/user_defined_rate_constant.hpp b/include/micm/process/user_defined_rate_constant.hpp
index 1b9428991..68f48cd38 100644
--- a/include/micm/process/user_defined_rate_constant.hpp
+++ b/include/micm/process/user_defined_rate_constant.hpp
@@ -43,6 +43,11 @@ namespace micm
     /// @param custom_parameters User-defined rate constant parameters
     /// @return A rate constant based off of the conditions in the system
     double calculate(const Conditions& conditions, std::vector<double>::const_iterator custom_parameters) const override;
+
+    /// @brief Calculate the rate constant
+    /// @param conditions The current environmental conditions of the chemical system
+    /// @return A rate constant based off of the conditions in the system
+    double calculate(const Conditions& conditions) const override;
   };
 
   inline UserDefinedRateConstant::UserDefinedRateConstant()
@@ -60,6 +65,11 @@ namespace micm
     return std::unique_ptr<RateConstant>{ new UserDefinedRateConstant{ *this } };
   }
 
+  inline double UserDefinedRateConstant::calculate(const Conditions& conditions) const
+  {
+    throw std::runtime_error("User defined rate constants must be supplied with custom rate parameters using the alternative calculate function");
+  }
+
   inline double UserDefinedRateConstant::calculate(
       const Conditions& conditions,
       std::vector<double>::const_iterator custom_parameters) const
diff --git a/include/micm/solver/cuda_lu_decomposition.hpp b/include/micm/solver/cuda_lu_decomposition.hpp
index 7f2d33e17..85aca2a75 100644
--- a/include/micm/solver/cuda_lu_decomposition.hpp
+++ b/include/micm/solver/cuda_lu_decomposition.hpp
@@ -2,15 +2,13 @@
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
+
 #include <chrono>
 #include <micm/solver/lu_decomposition.hpp>
 #include <micm/util/cuda_param.hpp>
 #include <stdexcept>
-#ifdef USE_CUDA
-#  include <micm/solver/cuda_lu_decomposition.cuh>
-#endif
+#include <micm/solver/cuda_lu_decomposition.cuh>
 
-#ifdef USE_CUDA
 namespace micm
 {
   class CudaLuDecomposition : public LuDecomposition
@@ -64,5 +62,4 @@ namespace micm
     // calling kernelSetup function
     return micm::cuda::DecomposeKernelDriver(sparseMatrix, solver);
   }
-}  // namespace micm
-#endif
\ No newline at end of file
+}  // namespace micm
\ No newline at end of file
diff --git a/include/micm/solver/jit_linear_solver.hpp b/include/micm/solver/jit_linear_solver.hpp
index 11a6d2fe7..7896f517d 100644
--- a/include/micm/solver/jit_linear_solver.hpp
+++ b/include/micm/solver/jit_linear_solver.hpp
@@ -46,15 +46,26 @@ namespace micm
     /// @brief Decompose the matrix into upper and lower triangular matrices and general JIT functions
     /// @param matrix Matrix that will be factored into lower and upper triangular matrices
     /// @param is_singular Flag that will be set to true if matrix is singular; false otherwise
-    void Factor(SparseMatrix<double, SparseMatrixVectorOrdering<L>>& matrix, bool& is_singular);
+    void Factor(
+        SparseMatrix<double, SparseMatrixVectorOrdering<L>>& matrix,
+        SparseMatrix<double, SparseMatrixVectorOrdering<L>>& lower_matrix,
+        SparseMatrix<double, SparseMatrixVectorOrdering<L>>& upper_matrix,
+        bool& is_singular);
 
     /// @brief Decompose the matrix into upper and lower triangular matrices and general JIT functions
     /// @param matrix Matrix that will be factored into lower and upper triangular matrices
-    void Factor(SparseMatrix<double, SparseMatrixVectorOrdering<L>>& matrix);
+    void Factor(
+        SparseMatrix<double, SparseMatrixVectorOrdering<L>>& matrix,
+        SparseMatrix<double, SparseMatrixVectorOrdering<L>>& lower_matrix,
+        SparseMatrix<double, SparseMatrixVectorOrdering<L>>& upper_matrix);
 
     /// @brief Solve for x in Ax = b
     template<template<class> class MatrixPolicy>
-    void Solve(const MatrixPolicy<double>& b, MatrixPolicy<double>& x);
+    void Solve(
+        const MatrixPolicy<double>& b,
+        MatrixPolicy<double>& x,
+        SparseMatrixPolicy<double>& lower_matrix,
+        SparseMatrixPolicy<double>& upper_matrix);
 
    private:
     /// @brief Generates the JIT-ed Solve function
diff --git a/include/micm/solver/jit_linear_solver.inl b/include/micm/solver/jit_linear_solver.inl
index 195ec27a1..b578cfd75 100644
--- a/include/micm/solver/jit_linear_solver.inl
+++ b/include/micm/solver/jit_linear_solver.inl
@@ -58,29 +58,36 @@ namespace micm
 
   template<std::size_t L, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
   inline void JitLinearSolver<L, SparseMatrixPolicy, LuDecompositionPolicy>::Factor(
-      SparseMatrix<double, SparseMatrixVectorOrdering<L>> &matrix, bool& is_singular)
+        SparseMatrix<double, SparseMatrixVectorOrdering<L>>& matrix,
+        SparseMatrix<double, SparseMatrixVectorOrdering<L>>& lower_matrix,
+        SparseMatrix<double, SparseMatrixVectorOrdering<L>>& upper_matrix,
+        bool& is_singular)
   {
-    LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>::Factor(matrix, is_singular);
+    LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>::Factor(matrix, lower_matrix, upper_matrix, is_singular);
   }
 
   template<std::size_t L, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
   inline void JitLinearSolver<L, SparseMatrixPolicy, LuDecompositionPolicy>::Factor(
-      SparseMatrix<double, SparseMatrixVectorOrdering<L>> &matrix)
+        SparseMatrix<double, SparseMatrixVectorOrdering<L>>& matrix,
+        SparseMatrix<double, SparseMatrixVectorOrdering<L>>& lower_matrix,
+        SparseMatrix<double, SparseMatrixVectorOrdering<L>>& upper_matrix)
   {
-    LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>::Factor(matrix);
+    LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>::Factor(matrix, lower_matrix, upper_matrix);
   }
 
   template<std::size_t L, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
   template<template<class> class MatrixPolicy>
   inline void JitLinearSolver<L, SparseMatrixPolicy, LuDecompositionPolicy>::Solve(
       const MatrixPolicy<double> &b,
-      MatrixPolicy<double> &x)
+      MatrixPolicy<double> &x,
+      SparseMatrixPolicy<double> &lower_matrix,
+      SparseMatrixPolicy<double> &upper_matrix)
   {
     solve_function_(
         b.AsVector().data(),
         x.AsVector().data(),
-        LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>::lower_matrix_.AsVector().data(),
-        LinearSolver<double, SparseMatrixPolicy, LuDecompositionPolicy>::upper_matrix_.AsVector().data());
+        lower_matrix.AsVector().data(),
+        upper_matrix.AsVector().data());
   }
 
   template<std::size_t L, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
diff --git a/include/micm/solver/jit_rosenbrock.hpp b/include/micm/solver/jit_rosenbrock.hpp
index 3380ed713..61acf0845 100644
--- a/include/micm/solver/jit_rosenbrock.hpp
+++ b/include/micm/solver/jit_rosenbrock.hpp
@@ -115,9 +115,10 @@ namespace micm
    private:
     void GenerateAlphaMinusJacobian()
     {
+      auto jacobian = this->GetState().jacobian_;
       // save sizes needed throughout the function
-      std::size_t n_cells = this->jacobian_.GroupVectorSize();
-      std::size_t number_of_nonzero_jacobian_elements = this->jacobian_.AsVector().size();
+      std::size_t n_cells = jacobian.GroupVectorSize();
+      std::size_t number_of_nonzero_jacobian_elements = jacobian.AsVector().size();
 
       // Get the current timestamp using std::chrono::high_resolution_clock
       std::chrono::high_resolution_clock::time_point now = std::chrono::high_resolution_clock::now();
@@ -147,7 +148,7 @@ namespace micm
 
       // iterative over the blocks of the jacobian and add the alpha value
       // jacobian_vector[i_elem + i_cell] += alpha;
-      for (const auto& i_elem : this->jacobian_diagonal_elements_)
+      for (const auto& i_elem : this->state_parameters_.jacobian_diagonal_elements_)
       {
         llvm::Value* ptr_index[1];
 
diff --git a/include/micm/solver/linear_solver.hpp b/include/micm/solver/linear_solver.hpp
index c292f098e..44569dc2a 100644
--- a/include/micm/solver/linear_solver.hpp
+++ b/include/micm/solver/linear_solver.hpp
@@ -49,8 +49,6 @@ namespace micm
     std::vector<std::pair<std::size_t, std::size_t>> Uij_xj_;
 
     LuDecompositionPolicy lu_decomp_;
-    SparseMatrixPolicy<T> lower_matrix_;
-    SparseMatrixPolicy<T> upper_matrix_;
 
    public:
     /// @brief default constructor
@@ -71,24 +69,20 @@ namespace micm
         const std::function<LuDecompositionPolicy(const SparseMatrixPolicy<T>&)> create_lu_decomp);
 
     /// @brief Decompose the matrix into upper and lower triangular matrices
-    /// @param matrix Matrix to decompose into lower and upper triangular matrices
-    /// @param is_singular Flag that is set to true if matrix is singular; false otherwise
-    void Factor(const SparseMatrixPolicy<T>& matrix);
-
+    void Factor(const SparseMatrixPolicy<T>& matrix, SparseMatrixPolicy<T>& lower_matrix, SparseMatrixPolicy<T>& upper_matrix);
+    
     /// @brief Decompose the matrix into upper and lower triangular matrices
     /// @param matrix Matrix to decompose into lower and upper triangular matrices
     /// @param is_singular Flag that is set to true if matrix is singular; false otherwise
-    void Factor(const SparseMatrixPolicy<T>& matrix, bool& is_singular);
+    void Factor(const SparseMatrixPolicy<T>& matrix, SparseMatrixPolicy<T>& lower_matrix, SparseMatrixPolicy<T>& upper_matrix, bool& is_singular);
 
     /// @brief Solve for x in Ax = b
     template<template<class> class MatrixPolicy>
-    requires(!VectorizableDense<MatrixPolicy<T>> || !VectorizableSparse<SparseMatrixPolicy<T>>) void Solve(
-        const MatrixPolicy<T>& b,
-        MatrixPolicy<T>& x);
+      requires(!VectorizableDense<MatrixPolicy<T>> || !VectorizableSparse<SparseMatrixPolicy<T>>)
+    void Solve(const MatrixPolicy<T>& b, MatrixPolicy<T>& x, SparseMatrixPolicy<T>& lower_matrix, SparseMatrixPolicy<T>& upper_matrix);
     template<template<class> class MatrixPolicy>
-    requires(VectorizableDense<MatrixPolicy<T>>&& VectorizableSparse<SparseMatrixPolicy<T>>) void Solve(
-        const MatrixPolicy<T>& b,
-        MatrixPolicy<T>& x);
+      requires(VectorizableDense<MatrixPolicy<T>> && VectorizableSparse<SparseMatrixPolicy<T>>)
+    void Solve(const MatrixPolicy<T>& b, MatrixPolicy<T>& x, SparseMatrixPolicy<T>& lower_matrix, SparseMatrixPolicy<T>& upper_matrix); 
   };
 
 }  // namespace micm
diff --git a/include/micm/solver/linear_solver.inl b/include/micm/solver/linear_solver.inl
index 0e1957aab..741958ff6 100644
--- a/include/micm/solver/linear_solver.inl
+++ b/include/micm/solver/linear_solver.inl
@@ -72,61 +72,62 @@ namespace micm
         lu_decomp_(create_lu_decomp(matrix))
   {
     auto lu = lu_decomp_.GetLUMatrices(matrix, initial_value);
-    lower_matrix_ = std::move(lu.first);
-    upper_matrix_ = std::move(lu.second);
-    for (std::size_t i = 0; i < lower_matrix_[0].size(); ++i)
+    auto lower_matrix = std::move(lu.first);
+    auto upper_matrix = std::move(lu.second);
+    for (std::size_t i = 0; i < lower_matrix[0].size(); ++i)
     {
       std::size_t nLij = 0;
-      for (std::size_t j_id = lower_matrix_.RowStartVector()[i]; j_id < lower_matrix_.RowStartVector()[i + 1]; ++j_id)
+      for (std::size_t j_id = lower_matrix.RowStartVector()[i]; j_id < lower_matrix.RowStartVector()[i + 1]; ++j_id)
       {
-        std::size_t j = lower_matrix_.RowIdsVector()[j_id];
+        std::size_t j = lower_matrix.RowIdsVector()[j_id];
         if (j >= i)
           break;
-        Lij_yj_.push_back(std::make_pair(lower_matrix_.VectorIndex(0, i, j), j));
+        Lij_yj_.push_back(std::make_pair(lower_matrix.VectorIndex(0, i, j), j));
         ++nLij;
       }
       // There must always be a non-zero element on the diagonal
-      nLij_Lii_.push_back(std::make_pair(nLij, lower_matrix_.VectorIndex(0, i, i)));
+      nLij_Lii_.push_back(std::make_pair(nLij, lower_matrix.VectorIndex(0, i, i)));
     }
-    for (std::size_t i = upper_matrix_[0].size() - 1; i != static_cast<std::size_t>(-1); --i)
+    for (std::size_t i = upper_matrix[0].size() - 1; i != static_cast<std::size_t>(-1); --i)
     {
       std::size_t nUij = 0;
-      for (std::size_t j_id = upper_matrix_.RowStartVector()[i]; j_id < upper_matrix_.RowStartVector()[i + 1]; ++j_id)
+      for (std::size_t j_id = upper_matrix.RowStartVector()[i]; j_id < upper_matrix.RowStartVector()[i + 1]; ++j_id)
       {
-        std::size_t j = upper_matrix_.RowIdsVector()[j_id];
+        std::size_t j = upper_matrix.RowIdsVector()[j_id];
         if (j <= i)
           continue;
-        Uij_xj_.push_back(std::make_pair(upper_matrix_.VectorIndex(0, i, j), j));
+        Uij_xj_.push_back(std::make_pair(upper_matrix.VectorIndex(0, i, j), j));
         ++nUij;
       }
       // There must always be a non-zero element on the diagonal
-      nUij_Uii_.push_back(std::make_pair(nUij, upper_matrix_.VectorIndex(0, i, i)));
+      nUij_Uii_.push_back(std::make_pair(nUij, upper_matrix.VectorIndex(0, i, i)));
     }
   };
 
+    
   template<typename T, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
-  inline void LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy>::Factor(const SparseMatrixPolicy<T>& matrix)
+  inline void LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy>::Factor(const SparseMatrixPolicy<T>& matrix, SparseMatrixPolicy<T>& lower_matrix, SparseMatrixPolicy<T>& upper_matrix)
   {
-    lu_decomp_.template Decompose<T, SparseMatrixPolicy>(matrix, lower_matrix_, upper_matrix_);
+    lu_decomp_.template Decompose<T, SparseMatrixPolicy>(matrix, lower_matrix, upper_matrix);
   }
 
   template<typename T, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
-  inline void LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy>::Factor(const SparseMatrixPolicy<T>& matrix, bool& is_singular)
+  inline void LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy>::Factor(const SparseMatrixPolicy<T>& matrix, SparseMatrixPolicy<T>& lower_matrix, SparseMatrixPolicy<T>& upper_matrix, bool& is_singular)
   {
-    lu_decomp_.template Decompose<T, SparseMatrixPolicy>(matrix, lower_matrix_, upper_matrix_, is_singular);
+    lu_decomp_.template Decompose<T, SparseMatrixPolicy>(matrix, lower_matrix, upper_matrix, is_singular);
   }
 
   template<typename T, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
   template<template<class> class MatrixPolicy>
     requires(!VectorizableDense<MatrixPolicy<T>> || !VectorizableSparse<SparseMatrixPolicy<T>>)
-  inline void LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy>::Solve(const MatrixPolicy<T>& b, MatrixPolicy<T>& x)
+  inline void LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy>::Solve(const MatrixPolicy<T>& b, MatrixPolicy<T>& x, SparseMatrixPolicy<T>& lower_matrix, SparseMatrixPolicy<T>& upper_matrix)
   {
     for (std::size_t i_cell = 0; i_cell < b.size(); ++i_cell)
     {
       auto b_cell = b[i_cell];
       auto x_cell = x[i_cell];
-      const std::size_t lower_grid_offset = i_cell * lower_matrix_.FlatBlockSize();
-      const std::size_t upper_grid_offset = i_cell * upper_matrix_.FlatBlockSize();
+      const std::size_t lower_grid_offset = i_cell * lower_matrix.FlatBlockSize();
+      const std::size_t upper_grid_offset = i_cell * upper_matrix.FlatBlockSize();
       auto& y_cell = x_cell;  // Alias x for consistency with equations, but to reuse memory
       {
         auto b_elem = b_cell.begin();
@@ -137,10 +138,10 @@ namespace micm
           *y_elem = *(b_elem++);
           for (std::size_t i = 0; i < nLij_Lii.first; ++i)
           {
-            *y_elem -= lower_matrix_.AsVector()[lower_grid_offset + (*Lij_yj).first] * y_cell[(*Lij_yj).second];
+            *y_elem -= lower_matrix.AsVector()[lower_grid_offset + (*Lij_yj).first] * y_cell[(*Lij_yj).second];
             ++Lij_yj;
           }
-          *(y_elem++) /= lower_matrix_.AsVector()[lower_grid_offset + nLij_Lii.second];
+          *(y_elem++) /= lower_matrix.AsVector()[lower_grid_offset + nLij_Lii.second];
         }
       }
       {
@@ -151,12 +152,12 @@ namespace micm
           // x_elem starts out as y_elem from the previous loop
           for (std::size_t i = 0; i < nUij_Uii.first; ++i)
           {
-            *x_elem -= upper_matrix_.AsVector()[upper_grid_offset + (*Uij_xj).first] * x_cell[(*Uij_xj).second];
+            *x_elem -= upper_matrix.AsVector()[upper_grid_offset + (*Uij_xj).first] * x_cell[(*Uij_xj).second];
             ++Uij_xj;
           }
 
           // don't iterate before the beginning of the vector
-          *(x_elem) /= upper_matrix_.AsVector()[upper_grid_offset + nUij_Uii.second];
+          *(x_elem) /= upper_matrix.AsVector()[upper_grid_offset + nUij_Uii.second];
           if (x_elem != x_cell.begin())
           {
             --x_elem;
@@ -169,7 +170,7 @@ namespace micm
   template<typename T, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy>
   template<template<class> class MatrixPolicy>
     requires(VectorizableDense<MatrixPolicy<T>> && VectorizableSparse<SparseMatrixPolicy<T>>)
-  inline void LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy>::Solve(const MatrixPolicy<T>& b, MatrixPolicy<T>& x)
+  inline void LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy>::Solve(const MatrixPolicy<T>& b, MatrixPolicy<T>& x, SparseMatrixPolicy<T>& lower_matrix, SparseMatrixPolicy<T>& upper_matrix)
   {
     const std::size_t n_cells = b.GroupVectorSize();
     // Loop over groups of blocks
@@ -178,9 +179,9 @@ namespace micm
       auto b_group = std::next(b.AsVector().begin(), i_group * b.GroupSize());
       auto x_group = std::next(x.AsVector().begin(), i_group * x.GroupSize());
       auto L_group =
-          std::next(lower_matrix_.AsVector().begin(), i_group * lower_matrix_.GroupSize(lower_matrix_.FlatBlockSize()));
+          std::next(lower_matrix.AsVector().begin(), i_group * lower_matrix.GroupSize(lower_matrix.FlatBlockSize()));
       auto U_group =
-          std::next(upper_matrix_.AsVector().begin(), i_group * upper_matrix_.GroupSize(upper_matrix_.FlatBlockSize()));
+          std::next(upper_matrix.AsVector().begin(), i_group * upper_matrix.GroupSize(upper_matrix.FlatBlockSize()));
       auto y_group = x_group;  // Alias x for consistency with equations, but to reuse memory
       {
         auto b_elem = b_group;
@@ -224,5 +225,4 @@ namespace micm
       }
     }
   }
-
 }  // namespace micm
\ No newline at end of file
diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index 9dda76770..e78ed639e 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -16,7 +16,6 @@
 #pragma once
 
 #include <algorithm>
-#include <array>
 #include <cassert>
 #include <chrono>
 #include <cmath>
@@ -28,7 +27,9 @@
 #include <micm/process/process_set.hpp>
 #include <micm/solver/linear_solver.hpp>
 #include <micm/solver/state.hpp>
+#include <micm/solver/rosenbrock_solver_parameters.hpp>
 #include <micm/system/system.hpp>
+#include <micm/util/jacobian.hpp>
 #include <micm/util/matrix.hpp>
 #include <micm/util/sparse_matrix.hpp>
 #include <string>
@@ -37,98 +38,6 @@
 namespace micm
 {
 
-  /// @brief Rosenbrock solver parameters
-  struct RosenbrockSolverParameters
-  {
-    size_t stages_{};
-    size_t upper_limit_tolerance_{};
-    size_t max_number_of_steps_{ 1000 };
-
-    double round_off_{ std::numeric_limits<double>::epsilon() };  // Unit roundoff (1+round_off)>1
-    double factor_min_{ 0.2 };                                    // solver step size minimum boundary
-    double factor_max_{ 6 };                                      // solver step size maximum boundary
-    double rejection_factor_decrease_{ 0.1 };                     // used to decrease the step after 2 successive rejections
-    double safety_factor_{ 0.9 };                                 // safety factor in new step size computation
-
-    double h_min_{ 0.0 };  // step size min [s]
-    double h_max_{
-      0.0
-    };  // step size max [s] (if zero or greater than the solver time-step, the time-step passed to the solver will be used)
-    double h_start_{ 0.0 };  // step size start [s] (if zero, 1.0e-6 will be used, if greater than h_max, h_max will be used)
-
-    // Does the stage i require a new function evaluation (ros_NewF(i)=TRUE)
-    // or does it re-use the function evaluation from stage i-1 (ros_NewF(i)=FALSE)
-    std::array<bool, 6>
-        new_function_evaluation_{};  // which steps reuse the previous iterations evaluation or do a new evaluation
-
-    double estimator_of_local_order_{};  // the minumum between the main and the embedded scheme orders plus one
-
-    //  The coefficient matrices A and C are strictly lower triangular.
-    //  The lower triangular (subdiagonal) elements are stored in row-wise order:
-    //  A(2,1) = ros_A(1), A(3,1)=ros_A(2), A(3,2)=ros_A(3), etc.
-    //  The general mapping formula is:
-    //      A(i,j) = ros_A( (i-1)*(i-2)/2 + j )
-    //      C(i,j) = ros_C( (i-1)*(i-2)/2 + j )
-    std::array<double, 15> a_{};  // coefficient matrix a
-    std::array<double, 15> c_{};  // coefficient matrix c
-    std::array<double, 6> m_{};   // coefficients for new step evaluation
-    std::array<double, 6> e_{};   // error estimation coefficients
-
-    // Y_stage_i ~ Y( T + H*Alpha_i )
-    std::array<double, 6> alpha_{};
-    // Gamma_i = \sum_j  gamma_{i,j}
-    std::array<double, 6> gamma_{};
-
-    double absolute_tolerance_{ 1e-3 };
-    double relative_tolerance_{ 1e-4 };
-
-    size_t number_of_grid_cells_{ 1 };  // Number of grid cells to solve simultaneously
-    bool reorder_state_{ true };        // Reorder state during solver construction to minimize LU fill-in
-    bool check_singularity_{ false };   // Check for singular A matrix in linear solve of A x = b
-
-    // Print RosenbrockSolverParameters to console
-    void print() const;
-
-    /// @brief an L-stable method, 2 stages, order 2
-    /// @param number_of_grid_cells
-    /// @param reorder_state
-    /// @return
-    static RosenbrockSolverParameters two_stage_rosenbrock_parameters(
-        size_t number_of_grid_cells = 1,
-        bool reorder_state = true);
-    /// @brief an L-stable method, 3 stages, order 3, 2 function evaluations
-    /// @param number_of_grid_cells
-    /// @param reorder_state
-    /// @return
-    static RosenbrockSolverParameters three_stage_rosenbrock_parameters(
-        size_t number_of_grid_cells = 1,
-        bool reorder_state = true);
-    /// @brief L-stable rosenbrock method of order 4, with 4 stages
-    /// @param number_of_grid_cells
-    /// @param reorder_state
-    /// @return
-    static RosenbrockSolverParameters four_stage_rosenbrock_parameters(
-        size_t number_of_grid_cells = 1,
-        bool reorder_state = true);
-    /// @brief A stiffly-stable method, 4 stages, order 3
-    /// @param number_of_grid_cells
-    /// @param reorder_state
-    /// @return
-    static RosenbrockSolverParameters four_stage_differential_algebraic_rosenbrock_parameters(
-        size_t number_of_grid_cells = 1,
-        bool reorder_state = true);
-    /// @brief stiffly-stable rosenbrock method of order 4, with 6 stages
-    /// @param number_of_grid_cells
-    /// @param reorder_state
-    /// @return
-    static RosenbrockSolverParameters six_stage_differential_algebraic_rosenbrock_parameters(
-        size_t number_of_grid_cells = 1,
-        bool reorder_state = true);
-
-   private:
-    RosenbrockSolverParameters() = default;
-  };
-
   /// @brief The final state the solver was in after the Solve function finishes
   enum class SolverState
   {
@@ -150,6 +59,37 @@ namespace micm
 
   std::string StateToString(const SolverState& state);
 
+  struct SolverStats
+  {
+    /// @brief The number of forcing function calls
+    uint64_t function_calls{};
+    /// @brief The number of jacobian function calls
+    uint64_t jacobian_updates{};
+    /// @brief The total number of internal time steps taken
+    uint64_t number_of_steps{};
+    /// @brief The number of accepted integrations
+    uint64_t accepted{};
+    /// @brief The number of rejected integrations
+    uint64_t rejected{};
+    /// @brief The number of LU decompositions
+    uint64_t decompositions{};
+    /// @brief The number of linear solves
+    uint64_t solves{};
+    /// @brief The number of times a singular matrix is detected. For now, this will always be zero as we assume the matrix is never singular
+    uint64_t singular{};
+    /// @brief The cumulative amount of time spent calculating the forcing function
+    std::chrono::duration<double, std::nano> total_forcing_time{};
+    /// @brief The cumulative amount of time spent calculating the jacobian
+    std::chrono::duration<double, std::nano> total_jacobian_time{};
+    /// @brief The cumulative amount of time spent calculating the linear factorization
+    std::chrono::duration<double, std::nano> total_linear_factor_time{};
+    /// @brief The cumulative amount of time spent calculating the linear solve
+    std::chrono::duration<double, std::nano> total_linear_solve_time{};
+
+    /// @brief Set all member variables to zero
+    void Reset();
+  };
+
   /// @brief An implementation of the Rosenbrock ODE solver
   ///
   /// The template parameter is the type of matrix to use
@@ -160,37 +100,6 @@ namespace micm
   class RosenbrockSolver
   {
    public:
-    struct SolverStats
-    {
-      /// @brief The number of forcing function calls
-      uint64_t function_calls{};
-      /// @brief The number of jacobian function calls
-      uint64_t jacobian_updates{};
-      /// @brief The total number of internal time steps taken
-      uint64_t number_of_steps{};
-      /// @brief The number of accepted integrations
-      uint64_t accepted{};
-      /// @brief The number of rejected integrations
-      uint64_t rejected{};
-      /// @brief The number of LU decompositions
-      uint64_t decompositions{};
-      /// @brief The number of linear solvers
-      uint64_t solves{};
-      /// @brief The number of times a singular matrix is detected. For now, this will always be zero as we assume the matrix
-      /// is never singular
-      uint64_t singular{};
-      /// @brief The cumulative amount of time spent calculating the forcing function
-      std::chrono::duration<double, std::nano> total_forcing_time{};
-      /// @brief The cumulative amount of time spent calculating the jacobian
-      std::chrono::duration<double, std::nano> total_jacobian_time{};
-      /// @brief The cumulative amount of time spent calculating the linear factorization
-      std::chrono::duration<double, std::nano> total_linear_factor_time{};
-      /// @brief The cumulative amount of time spent calculating the linear solve
-      std::chrono::duration<double, std::nano> total_linear_solve_time{};
-
-      /// @brief Set all member variables to zero
-      void Reset();
-    };
 
     struct [[nodiscard]] SolverResult
     {
@@ -204,16 +113,11 @@ namespace micm
       double final_time_{};
     };
 
-    System system_;
     std::vector<Process> processes_;
     RosenbrockSolverParameters parameters_;
-    std::function<std::string(const std::vector<std::string>& variables, const std::size_t i)> state_reordering_;
+    StateParameters state_parameters_;
     ProcessSet process_set_;
-    SolverStats stats_;
-    SparseMatrixPolicy<double> jacobian_;
     LinearSolverPolicy linear_solver_;
-    std::vector<std::size_t> jacobian_diagonal_elements_;
-    size_t N_{};
 
     static constexpr double delta_min_ = 1.0e-6;
 
@@ -245,13 +149,13 @@ namespace micm
 
     /// @brief Returns a state object for use with the solver
     /// @return A object that can hold the full state of the chemical system
-    State<MatrixPolicy> GetState() const;
+    virtual State<MatrixPolicy, SparseMatrixPolicy> GetState() const;
 
     /// @brief Advances the given step over the specified time step
     /// @param time_step Time [s] to advance the state by
     /// @return A struct containing results and a status code
     template<bool time_it = false>
-    SolverResult Solve(double time_step, State<MatrixPolicy>& state) noexcept;
+    SolverResult Solve(double time_step, State<MatrixPolicy, SparseMatrixPolicy>& state) noexcept;
 
     /// @brief Calculate a chemical forcing
     /// @param rate_constants List of rate constants for each needed species
@@ -272,7 +176,7 @@ namespace micm
 
     /// @brief Update the rate constants for the environment state
     /// @param state The current state of the chemical system
-    void UpdateState(State<MatrixPolicy>& state);
+    void UpdateState(State<MatrixPolicy, SparseMatrixPolicy>& state);
 
     /// @brief Compute the derivative of the forcing w.r.t. each chemical, the jacobian
     /// @param rate_constants List of rate constants for each needed species
@@ -289,7 +193,7 @@ namespace micm
     /// @param singular indicates if the matrix is singular
     /// @param number_densities constituent concentration (molec/cm^3)
     /// @param rate_constants Rate constants for each process (molecule/cm3)^(n-1) s-1
-    void LinearFactor(double& H, const double gamma, bool& singular, const MatrixPolicy<double>& number_densities);
+    void LinearFactor(double& H, const double gamma, bool& singular, const MatrixPolicy<double>& number_densities, SolverStats& stats, State<MatrixPolicy, SparseMatrixPolicy>& state);
 
    protected:
     /// @brief Computes the scaled norm of the vector errors
diff --git a/include/micm/solver/rosenbrock.inl b/include/micm/solver/rosenbrock.inl
index 4f3f1b7eb..ed9cb9342 100644
--- a/include/micm/solver/rosenbrock.inl
+++ b/include/micm/solver/rosenbrock.inl
@@ -17,372 +17,11 @@
   }
 
 namespace micm
-{
-  //
-  // RosenbrockSolverParameters
-  //
-  inline void RosenbrockSolverParameters::print() const
-  {
-    std::cout << "stages_: " << stages_ << std::endl;
-    std::cout << "upper_limit_tolerance_: " << upper_limit_tolerance_ << std::endl;
-    std::cout << "max_number_of_steps_: " << max_number_of_steps_ << std::endl;
-    std::cout << "round_off_: " << round_off_ << std::endl;
-    std::cout << "factor_min_: " << factor_min_ << std::endl;
-    std::cout << "factor_max_: " << factor_max_ << std::endl;
-    std::cout << "rejection_factor_decrease_: " << rejection_factor_decrease_ << std::endl;
-    std::cout << "safety_factor_: " << safety_factor_ << std::endl;
-    std::cout << "h_min_: " << h_min_ << std::endl;
-    std::cout << "h_max_: " << h_max_ << std::endl;
-    std::cout << "h_start_: " << h_start_ << std::endl;
-    std::cout << "new_function_evaluation_: ";
-    for (bool val : new_function_evaluation_)
-      std::cout << val << " ";
-    std::cout << std::endl;
-    std::cout << "estimator_of_local_order_: " << estimator_of_local_order_ << std::endl;
-    std::cout << "a_: ";
-    for (double val : a_)
-      std::cout << val << " ";
-    std::cout << std::endl;
-    std::cout << "c_: ";
-    for (double val : c_)
-      std::cout << val << " ";
-    std::cout << std::endl;
-    std::cout << "m_: ";
-    for (double val : m_)
-      std::cout << val << " ";
-    std::cout << std::endl;
-    std::cout << "e_: ";
-    for (double val : e_)
-      std::cout << val << " ";
-    std::cout << std::endl;
-    std::cout << "alpha_: ";
-    for (double val : alpha_)
-      std::cout << val << " ";
-    std::cout << std::endl;
-    std::cout << "gamma_: ";
-    for (double val : gamma_)
-      std::cout << val << " ";
-    std::cout << std::endl;
-    std::cout << "absolute_tolerance_: " << absolute_tolerance_ << std::endl;
-    std::cout << "relative_tolerance_: " << relative_tolerance_ << std::endl;
-    std::cout << "number_of_grid_cells_: " << number_of_grid_cells_ << std::endl;
-  }
-
-  inline RosenbrockSolverParameters RosenbrockSolverParameters::two_stage_rosenbrock_parameters(
-      size_t number_of_grid_cells,
-      bool reorder_state)
-  {
-    // an L-stable method, 2 stages, order 2
-
-    RosenbrockSolverParameters parameters;
-    double g = 1.0 + 1.0 / std::sqrt(2.0);
-
-    parameters.stages_ = 2;
-
-    parameters.a_.fill(0);
-    parameters.a_[0] = 1.0 / g;
-
-    parameters.c_.fill(0);
-    parameters.c_[0] = -2.0 / g;
-
-    // Both stages require a new function evaluation
-    parameters.new_function_evaluation_.fill(true);
-
-    parameters.m_.fill(0);
-    parameters.m_[0] = (3.0) / (2.0 * g);
-    parameters.m_[1] = (1.0) / (2.0 * g);
-
-    parameters.e_.fill(0);
-    parameters.e_[0] = 1.0 / (2.0 * g);
-    parameters.e_[1] = 1.0 / (2.0 * g);
-
-    parameters.estimator_of_local_order_ = 2.0;
-
-    parameters.alpha_.fill(0);
-    parameters.alpha_[0] = 0.0;
-    parameters.alpha_[1] = 1.0;
-
-    parameters.gamma_.fill(0);
-    parameters.gamma_[0] = g;
-    parameters.gamma_[1] = -g;
-
-    parameters.number_of_grid_cells_ = number_of_grid_cells;
-    parameters.reorder_state_ = reorder_state;
-
-    return parameters;
-  }
-
-  inline RosenbrockSolverParameters RosenbrockSolverParameters::three_stage_rosenbrock_parameters(
-      size_t number_of_grid_cells,
-      bool reorder_state)
-  {
-    // an L-stable method, 3 stages, order 3, 2 function evaluations
-    //
-    // original formaulation for three stages:
-    // Sandu, A., Verwer, J.G., Blom, J.G., Spee, E.J., Carmichael, G.R., Potra, F.A., 1997.
-    // Benchmarking stiff ode solvers for atmospheric chemistry problems II: Rosenbrock solvers.
-    // Atmospheric Environment 31, 3459–3472. https://doi.org/10.1016/S1352-2310(97)83212-8
-    RosenbrockSolverParameters parameters;
-
-    parameters.stages_ = 3;
-
-    parameters.a_.fill(0);
-    parameters.a_[0] = 1;
-    parameters.a_[1] = 1;
-    parameters.a_[2] = 0;
-
-    parameters.c_.fill(0);
-    parameters.c_[0] = -0.10156171083877702091975600115545e+01;
-    parameters.c_[1] = 0.40759956452537699824805835358067e+01;
-    parameters.c_[2] = 0.92076794298330791242156818474003e+01;
-
-    parameters.new_function_evaluation_.fill(false);
-    parameters.new_function_evaluation_[0] = true;
-    parameters.new_function_evaluation_[1] = true;
-    parameters.new_function_evaluation_[2] = false;
-    parameters.m_.fill(0);
-    parameters.m_[0] = 0.1e+01;
-    parameters.m_[1] = 0.61697947043828245592553615689730e+01;
-    parameters.m_[2] = -0.42772256543218573326238373806514;
-
-    parameters.e_.fill(0);
-    parameters.e_[0] = 0.5;
-    parameters.e_[1] = -0.29079558716805469821718236208017e+01;
-    parameters.e_[2] = 0.22354069897811569627360909276199;
-
-    parameters.estimator_of_local_order_ = 3;
-
-    parameters.alpha_.fill(0);
-    parameters.alpha_[0] = 0;
-    parameters.alpha_[1] = 0.43586652150845899941601945119356;
-    parameters.alpha_[2] = 0.43586652150845899941601945119356;
-
-    parameters.gamma_.fill(0);
-    parameters.gamma_[0] = 0.43586652150845899941601945119356;
-    parameters.gamma_[1] = 0.24291996454816804366592249683314;
-    parameters.gamma_[2] = 0.21851380027664058511513169485832e+01;
-
-    parameters.number_of_grid_cells_ = number_of_grid_cells;
-    parameters.reorder_state_ = reorder_state;
-
-    return parameters;
-  }
-
-  inline RosenbrockSolverParameters RosenbrockSolverParameters::four_stage_rosenbrock_parameters(
-      size_t number_of_grid_cells,
-      bool reorder_state)
-  {
-    // L-STABLE ROSENBROCK METHOD OF ORDER 4, WITH 4 STAGES
-    // L-STABLE EMBEDDED ROSENBROCK METHOD OF ORDER 3
-    //
-    //  E. HAIRER AND G. WANNER, SOLVING ORDINARY DIFFERENTIAL
-    //  EQUATIONS II. STIFF AND DIFFERENTIAL-ALGEBRAIC PROBLEMS.
-    //  SPRINGER SERIES IN COMPUTATIONAL MATHEMATICS,
-    //  SPRINGER-VERLAG (1990)
-    RosenbrockSolverParameters parameters;
-
-    parameters.stages_ = 4;
-
-    parameters.a_.fill(0);
-    parameters.a_[0] = 0.2000000000000000E+01;
-    parameters.a_[1] = 0.1867943637803922E+01;
-    parameters.a_[2] = 0.2344449711399156;
-    parameters.a_[3] = parameters.a_[1];
-    parameters.a_[4] = parameters.a_[2];
-    parameters.a_[5] = 0.0;
-
-    parameters.c_.fill(0);
-    parameters.c_[0] = -0.7137615036412310E+01;
-    parameters.c_[1] = 0.2580708087951457E+01;
-    parameters.c_[2] = 0.6515950076447975;
-    parameters.c_[3] = -0.2137148994382534E+01;
-    parameters.c_[4] = -0.3214669691237626;
-    parameters.c_[5] = -0.6949742501781779;
-
-    parameters.new_function_evaluation_.fill(false);
-    parameters.new_function_evaluation_[0] = true;
-    parameters.new_function_evaluation_[1] = true;
-    parameters.new_function_evaluation_[2] = true;
-    parameters.new_function_evaluation_[3] = false;
-
-    parameters.m_.fill(0);
-    parameters.m_[0] = 0.2255570073418735E+01;
-    parameters.m_[1] = 0.2870493262186792;
-    parameters.m_[2] = 0.4353179431840180;
-    parameters.m_[3] = 0.1093502252409163E+01;
-
-    parameters.e_.fill(0);
-    parameters.e_[0] = -0.2815431932141155;
-    parameters.e_[1] = -0.7276199124938920E-01;
-    parameters.e_[2] = -0.1082196201495311;
-    parameters.e_[3] = -0.1093502252409163E+01;
-
-    parameters.estimator_of_local_order_ = 4.0;
-
-    parameters.alpha_.fill(0);
-    parameters.alpha_[0] = 0.0;
-    parameters.alpha_[1] = 0.1145640000000000E+01;
-    parameters.alpha_[2] = 0.6552168638155900;
-    parameters.alpha_[3] = parameters.alpha_[2];
-
-    parameters.gamma_.fill(0);
-    parameters.gamma_[0] = 0.5728200000000000;
-    parameters.gamma_[1] = -0.1769193891319233E+01;
-    parameters.gamma_[2] = 0.7592633437920482;
-    parameters.gamma_[3] = -0.1049021087100450;
-
-    parameters.number_of_grid_cells_ = number_of_grid_cells;
-    parameters.reorder_state_ = reorder_state;
-
-    return parameters;
-  }
-
-  inline RosenbrockSolverParameters RosenbrockSolverParameters::four_stage_differential_algebraic_rosenbrock_parameters(
-      size_t number_of_grid_cells,
-      bool reorder_state)
-  {
-    // A STIFFLY-STABLE METHOD, 4 stages, order 3
-    RosenbrockSolverParameters parameters;
-
-    // Set the number of stages
-    parameters.stages_ = 4;
-
-    parameters.a_.fill(0.0);
-    parameters.a_[0] = 0.0;
-    parameters.a_[1] = 2.0;
-    parameters.a_[2] = 0.0;
-    parameters.a_[3] = 2.0;
-    parameters.a_[4] = 0.0;
-    parameters.a_[5] = 1.0;
-
-    parameters.c_.fill(0.0);
-    parameters.c_[0] = 4.0;
-    parameters.c_[1] = 1.0;
-    parameters.c_[2] = -1.0;
-    parameters.c_[3] = 1.0;
-    parameters.c_[4] = -1.0;
-    parameters.c_[5] = -(8.0 / 3.0);
-
-    parameters.new_function_evaluation_.fill(false);
-    parameters.new_function_evaluation_[0] = true;
-    parameters.new_function_evaluation_[2] = true;
-    parameters.new_function_evaluation_[3] = true;
-
-    parameters.m_.fill(0.0);
-    parameters.m_[0] = 2.0;
-    parameters.m_[2] = 1.0;
-    parameters.m_[3] = 1.0;
-
-    parameters.e_.fill(0.0);
-    parameters.e_[3] = 1.0;
-
-    parameters.estimator_of_local_order_ = 3.0;
-
-    parameters.alpha_.fill(0.0);
-    parameters.alpha_[2] = 1.0;
-    parameters.alpha_[3] = 1.0;
-
-    parameters.gamma_.fill(0.0);
-    parameters.gamma_[0] = 0.5;
-    parameters.gamma_[1] = 1.5;
-
-    parameters.number_of_grid_cells_ = number_of_grid_cells;
-    parameters.reorder_state_ = reorder_state;
-
-    return parameters;
-  }
-
-  inline RosenbrockSolverParameters RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters(
-      size_t number_of_grid_cells,
-      bool reorder_state)
-  {
-    // STIFFLY-STABLE ROSENBROCK METHOD OF ORDER 4, WITH 6 STAGES
-    //
-    // E. HAIRER AND G. WANNER, SOLVING ORDINARY DIFFERENTIAL
-    // EQUATIONS II. STIFF AND DIFFERENTIAL-ALGEBRAIC PROBLEMS.
-    // SPRINGER SERIES IN COMPUTATIONAL MATHEMATICS,
-    // SPRINGER-VERLAG (1996)
-
-    RosenbrockSolverParameters parameters;
-
-    parameters.stages_ = 6;
-
-    parameters.alpha_.fill(0.0);
-    parameters.alpha_[0] = 0.000;
-    parameters.alpha_[1] = 0.386;
-    parameters.alpha_[2] = 0.210;
-    parameters.alpha_[3] = 0.630;
-    parameters.alpha_[4] = 1.000;
-    parameters.alpha_[5] = 1.000;
-
-    parameters.gamma_.fill(0.0);
-    parameters.gamma_[0] = 0.2500000000000000;
-    parameters.gamma_[1] = -0.1043000000000000;
-    parameters.gamma_[2] = 0.1035000000000000;
-    parameters.gamma_[3] = -0.3620000000000023E-01;
-    parameters.gamma_[4] = 0.0;
-    parameters.gamma_[5] = 0.0;
-
-    parameters.a_.fill(0.0);
-    parameters.a_[0] = 0.1544000000000000E+01;
-    parameters.a_[1] = 0.9466785280815826;
-    parameters.a_[2] = 0.2557011698983284;
-    parameters.a_[3] = 0.3314825187068521E+01;
-    parameters.a_[4] = 0.2896124015972201E+01;
-    parameters.a_[5] = 0.9986419139977817;
-    parameters.a_[6] = 0.1221224509226641E+01;
-    parameters.a_[7] = 0.6019134481288629E+01;
-    parameters.a_[8] = 0.1253708332932087E+02;
-    parameters.a_[9] = -0.6878860361058950;
-    parameters.a_[10] = parameters.a_[6];
-    parameters.a_[11] = parameters.a_[7];
-    parameters.a_[12] = parameters.a_[8];
-    parameters.a_[13] = parameters.a_[9];
-    parameters.a_[14] = 1.0;
-
-    parameters.c_.fill(0.0);
-    parameters.c_[0] = -0.5668800000000000E+01;
-    parameters.c_[1] = -0.2430093356833875E+01;
-    parameters.c_[2] = -0.2063599157091915;
-    parameters.c_[3] = -0.1073529058151375;
-    parameters.c_[4] = -0.9594562251023355E+01;
-    parameters.c_[5] = -0.2047028614809616E+02;
-    parameters.c_[6] = 0.7496443313967647E+01;
-    parameters.c_[7] = -0.1024680431464352E+02;
-    parameters.c_[8] = -0.3399990352819905E+02;
-    parameters.c_[9] = 0.1170890893206160E+02;
-    parameters.c_[10] = 0.8083246795921522E+01;
-    parameters.c_[11] = -0.7981132988064893E+01;
-    parameters.c_[12] = -0.3152159432874371E+02;
-    parameters.c_[13] = 0.1631930543123136E+02;
-    parameters.c_[14] = -0.6058818238834054E+01;
-
-    parameters.m_.fill(0.0);
-    parameters.m_[0] = parameters.a_[6];
-    parameters.m_[1] = parameters.a_[7];
-    parameters.m_[2] = parameters.a_[8];
-    parameters.m_[3] = parameters.a_[9];
-    parameters.m_[4] = 1.0;
-    parameters.m_[5] = 1.0;
-
-    parameters.e_.fill(0.0);
-    parameters.e_[5] = 1.0;
-
-    parameters.new_function_evaluation_.fill(true);
-
-    parameters.estimator_of_local_order_ = 4.0;
-
-    parameters.number_of_grid_cells_ = number_of_grid_cells;
-    parameters.reorder_state_ = reorder_state;
-
-    return parameters;
-  }
-
+{ 
   //
   // RosenbrockSolver
   //
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::SolverStats::Reset()
+  inline void SolverStats::Reset()
   {
     function_calls = 0;
     jacobian_updates = 0;
@@ -411,21 +50,15 @@ namespace micm
       case SolverState::NaNDetected: return "NaNDetected";
       default: return "Unknown";
     }
-    return "";
   }
 
   template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
   inline RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::RosenbrockSolver()
-      : system_(),
-        processes_(),
+      : processes_(),
         parameters_(RosenbrockSolverParameters::three_stage_rosenbrock_parameters()),
-        state_reordering_(),
+        state_parameters_(),
         process_set_(),
-        stats_(),
-        jacobian_(),
-        linear_solver_(),
-        jacobian_diagonal_elements_(),
-        N_(system_.StateSize() * parameters_.number_of_grid_cells_)
+        linear_solver_()
   {
   }
 
@@ -450,59 +83,74 @@ namespace micm
       const std::vector<Process>& processes,
       const RosenbrockSolverParameters& parameters,
       const std::function<LinearSolverPolicy(const SparseMatrixPolicy<double>, double)> create_linear_solver)
-      : system_(system),
-        processes_(processes),
+      : processes_(processes),
         parameters_(parameters),
-        state_reordering_(),
+        state_parameters_(),
         process_set_(),
-        stats_(),
-        jacobian_(),
-        linear_solver_(),
-        jacobian_diagonal_elements_(),
-        N_(system_.StateSize() * parameters_.number_of_grid_cells_)
+        linear_solver_()
   {
+    std::map<std::string, std::size_t> variable_map;
+    std::function<std::string(const std::vector<std::string>& variables, const std::size_t i)> state_reordering;
+
+    std::size_t index = 0;
+    for (auto& name : system.UniqueNames())
+      variable_map[name] = index++;
+
     // generate a state-vector reordering function to reduce fill-in in linear solver
     if (parameters_.reorder_state_)
     {
       // get unsorted Jacobian non-zero elements
-      auto unsorted_process_set = ProcessSet(processes, GetState());
+      auto unsorted_process_set = ProcessSet(processes, variable_map);
       auto unsorted_jac_elements = unsorted_process_set.NonZeroJacobianElements();
-      MatrixPolicy<int> unsorted_jac_non_zeros(system_.StateSize(), system_.StateSize(), 0);
+      MatrixPolicy<int> unsorted_jac_non_zeros(system.StateSize(), system.StateSize(), 0);
       for (auto& elem : unsorted_jac_elements)
         unsorted_jac_non_zeros[elem.first][elem.second] = 1;
       auto reorder_map = DiagonalMarkowitzReorder<MatrixPolicy>(unsorted_jac_non_zeros);
-      state_reordering_ = [=](const std::vector<std::string>& variables, const std::size_t i)
+      state_reordering = [=](const std::vector<std::string>& variables, const std::size_t i)
       { return variables[reorder_map[i]]; };
-    }
-    process_set_ = ProcessSet(processes, GetState());
-    auto builder =
-        SparseMatrixPolicy<double>::create(system_.StateSize()).number_of_blocks(parameters_.number_of_grid_cells_);
-    auto jac_elements = process_set_.NonZeroJacobianElements();
-    for (auto& elem : jac_elements)
-      builder = builder.with_element(elem.first, elem.second);
-    // Always include diagonal elements
-    for (std::size_t i = 0; i < system_.StateSize(); ++i)
-      builder = builder.with_element(i, i);
-
-    jacobian_ = builder;
-    linear_solver_ = std::move(create_linear_solver(jacobian_, 1.0e-30));
-    process_set_.SetJacobianFlatIds(jacobian_);
-    for (std::size_t i = 0; i < jacobian_[0].size(); ++i)
-      jacobian_diagonal_elements_.push_back(jacobian_.VectorIndex(0, i, i));
-  }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-  inline State<MatrixPolicy> RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::GetState() const
-  {
+      variable_map.clear();
+      std::size_t index = 0;
+      for (auto& name : system.UniqueNames(state_reordering))
+        variable_map[name] = index++;
+    }
+    
+    // setup the state_parameters
     std::vector<std::string> param_labels{};
     for (const auto& process : processes_)
       if (process.rate_constant_)
         for (auto& label : process.rate_constant_->CustomParameters())
           param_labels.push_back(label);
-    return State<MatrixPolicy>{ micm::StateParameters{ .state_variable_names_ = system_.UniqueNames(state_reordering_),
-                                                       .custom_rate_parameter_labels_ = param_labels,
-                                                       .number_of_grid_cells_ = parameters_.number_of_grid_cells_,
-                                                       .number_of_rate_constants_ = processes_.size() } };
+
+    process_set_ = ProcessSet(processes, variable_map);
+
+    auto jacobian = build_jacobian<SparseMatrixPolicy>(
+      process_set_.NonZeroJacobianElements(),
+      parameters_.number_of_grid_cells_,
+      system.StateSize()
+    );
+
+    std::vector<std::size_t> jacobian_diagonal_elements;
+    for (std::size_t i = 0; i < jacobian[0].size(); ++i)
+      jacobian_diagonal_elements.push_back(jacobian.VectorIndex(0, i, i));
+
+    state_parameters_ = {
+      .number_of_grid_cells_ = parameters_.number_of_grid_cells_,
+      .number_of_rate_constants_ = processes_.size(),
+      .variable_names_ = system.UniqueNames(state_reordering),
+      .custom_rate_parameter_labels_ = param_labels,
+      .jacobian_diagonal_elements_ = jacobian_diagonal_elements,
+      .nonzero_jacobian_elements_ = process_set_.NonZeroJacobianElements()
+    };
+
+    process_set_.SetJacobianFlatIds(jacobian);
+    linear_solver_ = std::move(create_linear_solver(jacobian, 1.0e-30));
+  }
+
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+  inline State<MatrixPolicy, SparseMatrixPolicy> RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::GetState() const
+  {
+    return State<MatrixPolicy, SparseMatrixPolicy>{ state_parameters_ };   
   }
 
   template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
@@ -510,7 +158,7 @@ namespace micm
   inline typename RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::SolverResult
   RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::Solve(
       double time_step,
-      State<MatrixPolicy>& state) noexcept
+      State<MatrixPolicy, SparseMatrixPolicy>& state) noexcept
   {
     typename RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::SolverResult result{};
     result.state_ = SolverState::Running;
@@ -524,7 +172,7 @@ namespace micm
     const double h_start =
         parameters_.h_start_ == 0.0 ? std::max(parameters_.h_min_, delta_min_) : std::min(h_max, parameters_.h_start_);
 
-    stats_.Reset();
+    SolverStats stats;
     UpdateState(state);
 
     for (std::size_t i = 0; i < parameters_.stages_; ++i)
@@ -544,7 +192,7 @@ namespace micm
 
     while ((present_time - time_step + parameters_.round_off_) <= 0 && (result.state_ == SolverState::Running))
     {
-      if (stats_.number_of_steps > parameters_.max_number_of_steps_)
+      if (stats.number_of_steps > parameters_.max_number_of_steps_)
       {
         result.state_ = SolverState::ConvergenceExceededMaxSteps;
         break;
@@ -560,10 +208,12 @@ namespace micm
       H = std::min(H, std::abs(time_step - present_time));
 
       // compute the forcing at the beginning of the current time
-      TIMED_METHOD(stats_.total_forcing_time, time_it, CalculateForcing, state.rate_constants_, Y, initial_forcing);
+      TIMED_METHOD(stats.total_forcing_time, time_it, CalculateForcing, state.rate_constants_, Y, initial_forcing);
+      stats.function_calls += 1;
 
       // compute the jacobian at the beginning of the current time
-      TIMED_METHOD(stats_.total_jacobian_time, time_it, CalculateJacobian, state.rate_constants_, Y, jacobian_);
+      TIMED_METHOD(stats.total_jacobian_time, time_it, CalculateJacobian, state.rate_constants_, Y, state.jacobian_);
+      stats.jacobian_updates += 1;
 
       bool accepted = false;
       //  Repeat step calculation until current step accepted
@@ -571,7 +221,7 @@ namespace micm
       {
         bool is_singular{ false };
         // Form and factor the rosenbrock ode jacobian
-        TIMED_METHOD(stats_.total_linear_factor_time, time_it, LinearFactor, H, parameters_.gamma_[0], is_singular, Y);
+        TIMED_METHOD(stats.total_linear_factor_time, time_it, LinearFactor, H, parameters_.gamma_[0], is_singular, Y, stats, state);
         if (is_singular)
         {
           result.state_ = SolverState::RepeatedlySingularMatrix;
@@ -596,7 +246,8 @@ namespace micm
                 auto a = parameters_.a_[stage_combinations + j];
                 Ynew.ForEach([&](double& iYnew, double& iKj) { iYnew += a * iKj; }, K[j]);
               }
-              TIMED_METHOD(stats_.total_forcing_time, time_it, CalculateForcing, state.rate_constants_, Ynew, forcing);
+              TIMED_METHOD(stats.total_forcing_time, time_it, CalculateForcing, state.rate_constants_, Ynew, forcing);
+              stats.function_calls += 1;
             }
           }
           K[stage].AsVector().assign(forcing.AsVector().begin(), forcing.AsVector().end());
@@ -606,8 +257,8 @@ namespace micm
             K[stage].ForEach([&](double& iKstage, double& iKj) { iKstage += HC * iKj; }, K[j]);
           }
           temp.AsVector().assign(K[stage].AsVector().begin(), K[stage].AsVector().end());
-          TIMED_METHOD(stats_.total_linear_solve_time, time_it, linear_solver_.template Solve<MatrixPolicy>, temp, K[stage]);
-          stats_.solves += 1;
+          TIMED_METHOD(stats.total_linear_solve_time, time_it, linear_solver_.template Solve<MatrixPolicy>, temp, K[stage], state.lower_matrix_, state.upper_matrix_);
+          stats.solves += 1;
         }
 
         // Compute the new solution
@@ -630,7 +281,7 @@ namespace micm
                 parameters_.safety_factor_ / std::pow(error, 1 / parameters_.estimator_of_local_order_)));
         double Hnew = H * fac;
 
-        stats_.number_of_steps += 1;
+        stats.number_of_steps += 1;
 
         // Check the error magnitude and adjust step size
         if (std::isnan(error))
@@ -641,7 +292,7 @@ namespace micm
         }
         else if ((error < 1) || (H < parameters_.h_min_))
         {
-          stats_.accepted += 1;
+          stats.accepted += 1;
           present_time = present_time + H;
           Y.AsVector().assign(Ynew.AsVector().begin(), Ynew.AsVector().end());
           Hnew = std::max(parameters_.h_min_, std::min(Hnew, h_max));
@@ -665,9 +316,9 @@ namespace micm
           reject_more_h = reject_last_h;
           reject_last_h = true;
           H = Hnew;
-          if (stats_.accepted >= 1)
+          if (stats.accepted >= 1)
           {
-            stats_.rejected += 1;
+            stats.rejected += 1;
           }
         }
       }
@@ -679,7 +330,7 @@ namespace micm
     }
 
     result.final_time_ = present_time;
-    result.stats_ = stats_;
+    result.stats_ = stats;
     result.result_ = Y;
     return result;
   }
@@ -692,7 +343,6 @@ namespace micm
   {
     std::fill(forcing.AsVector().begin(), forcing.AsVector().end(), 0.0);
     process_set_.AddForcingTerms<MatrixPolicy>(rate_constants, number_densities, forcing);
-    stats_.function_calls += 1;
   }
 
   template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
@@ -706,7 +356,7 @@ namespace micm
     for (std::size_t i_block = 0; i_block < jacobian.size(); ++i_block)
     {
       auto jacobian_vector = std::next(jacobian.AsVector().begin(), i_block * jacobian.FlatBlockSize());
-      for (const auto& i_elem : jacobian_diagonal_elements_)
+      for (const auto& i_elem : state_parameters_.jacobian_diagonal_elements_)
         jacobian_vector[i_elem] += alpha;
     }
   }
@@ -723,7 +373,7 @@ namespace micm
     for (std::size_t i_group = 0; i_group < jacobian.NumberOfGroups(jacobian.size()); ++i_group)
     {
       auto jacobian_vector = std::next(jacobian.AsVector().begin(), i_group * jacobian.GroupSize(jacobian.FlatBlockSize()));
-      for (const auto& i_elem : jacobian_diagonal_elements_)
+      for (const auto& i_elem : state_parameters_.jacobian_diagonal_elements_)
         for (std::size_t i_cell = 0; i_cell < n_cells; ++i_cell)
           jacobian_vector[i_elem + i_cell] += alpha;
     }
@@ -737,11 +387,10 @@ namespace micm
   {
     std::fill(jacobian.AsVector().begin(), jacobian.AsVector().end(), 0.0);
     process_set_.AddJacobianTerms<MatrixPolicy, SparseMatrixPolicy>(rate_constants, number_densities, jacobian);
-    stats_.jacobian_updates += 1;
   }
 
   template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::UpdateState(State<MatrixPolicy>& state)
+  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::UpdateState(State<MatrixPolicy, SparseMatrixPolicy>& state)
   {
     Process::UpdateState(processes_, state);
   }
@@ -751,11 +400,11 @@ namespace micm
       double& H,
       const double gamma,
       bool& singular,
-      const MatrixPolicy<double>& number_densities)
+      const MatrixPolicy<double>& number_densities,
+      SolverStats& stats, 
+      State<MatrixPolicy, SparseMatrixPolicy>& state)
   {
-    // TODO: invesitage this function. The fortran equivalent appears to have a bug.
-    // From my understanding the fortran do loop would only ever do one iteration and is equivalent to what's below
-    SparseMatrixPolicy<double> jacobian = jacobian_;
+    auto jacobian = state.jacobian_;
     uint64_t n_consecutive = 0;
     singular = false;
     while (true)
@@ -764,16 +413,16 @@ namespace micm
       AlphaMinusJacobian(jacobian, alpha);
       if (parameters_.check_singularity_)
       {
-        linear_solver_.Factor(jacobian, singular);
+        linear_solver_.Factor(jacobian, state.lower_matrix_, state.upper_matrix_, singular);
       } else {
         singular = false;
-        linear_solver_.Factor(jacobian);
+        linear_solver_.Factor(jacobian, state.lower_matrix_, state.upper_matrix_);
       }
       singular = false;  // TODO This should be evaluated in some way
-      stats_.decompositions += 1;
+      stats.decompositions += 1;
       if (!singular)
         break;
-      stats_.singular += 1;
+      stats.singular += 1;
       if (++n_consecutive > 5)
         break;
       H /= 2;
@@ -792,10 +441,11 @@ namespace micm
     auto _y = Y.AsVector();
     auto _ynew = Ynew.AsVector();
     auto _errors = errors.AsVector();
+    size_t N = Y.AsVector().size();
 
     double error = 0;
 
-    for (size_t i = 0; i < N_; ++i)
+    for (size_t i = 0; i < N; ++i)
     {
       double ymax = std::max(std::abs(_y[i]), std::abs(_ynew[i]));
       double scale = parameters_.absolute_tolerance_ + parameters_.relative_tolerance_ * ymax;
@@ -803,7 +453,7 @@ namespace micm
     }
 
     double error_min_ = 1.0e-10;
-    return std::max(std::sqrt(error / N_), error_min_);
+    return std::max(std::sqrt(error / N), error_min_);
   }
 
 }  // namespace micm
diff --git a/include/micm/solver/rosenbrock_solver_parameters.hpp b/include/micm/solver/rosenbrock_solver_parameters.hpp
new file mode 100644
index 000000000..bfb4276fe
--- /dev/null
+++ b/include/micm/solver/rosenbrock_solver_parameters.hpp
@@ -0,0 +1,462 @@
+// Copyright (C) 2023 National Center for Atmospheric Research
+// SPDX-License-Identifier: Apache-2.0
+#pragma once
+
+#include <cstddef>
+#include <iostream>
+#include <array>
+
+namespace micm
+{
+
+  /// @brief Rosenbrock solver parameters
+  struct RosenbrockSolverParameters
+  {
+    size_t stages_{};
+    size_t upper_limit_tolerance_{};
+    size_t max_number_of_steps_{ 1000 };
+
+    double round_off_{ std::numeric_limits<double>::epsilon() };  // Unit roundoff (1+round_off)>1
+    double factor_min_{ 0.2 };                                    // solver step size minimum boundary
+    double factor_max_{ 6 };                                      // solver step size maximum boundary
+    double rejection_factor_decrease_{ 0.1 };                     // used to decrease the step after 2 successive rejections
+    double safety_factor_{ 0.9 };                                 // safety factor in new step size computation
+
+    double h_min_{ 0.0 };  // step size min [s]
+    double h_max_{
+      0.0
+    };  // step size max [s] (if zero or greater than the solver time-step, the time-step passed to the solver will be used)
+    double h_start_{ 0.0 };  // step size start [s] (if zero, 1.0e-6 will be used, if greater than h_max, h_max will be used)
+
+    // Does the stage i require a new function evaluation (ros_NewF(i)=TRUE)
+    // or does it re-use the function evaluation from stage i-1 (ros_NewF(i)=FALSE)
+    std::array<bool, 6>
+        new_function_evaluation_{};  // which steps reuse the previous iterations evaluation or do a new evaluation
+
+    double estimator_of_local_order_{};  // the minumum between the main and the embedded scheme orders plus one
+
+    //  The coefficient matrices A and C are strictly lower triangular.
+    //  The lower triangular (subdiagonal) elements are stored in row-wise order:
+    //  A(2,1) = ros_A(1), A(3,1)=ros_A(2), A(3,2)=ros_A(3), etc.
+    //  The general mapping formula is:
+    //      A(i,j) = ros_A( (i-1)*(i-2)/2 + j )
+    //      C(i,j) = ros_C( (i-1)*(i-2)/2 + j )
+    std::array<double, 15> a_{};  // coefficient matrix a
+    std::array<double, 15> c_{};  // coefficient matrix c
+    std::array<double, 6> m_{};   // coefficients for new step evaluation
+    std::array<double, 6> e_{};   // error estimation coefficients
+
+    // Y_stage_i ~ Y( T + H*Alpha_i )
+    std::array<double, 6> alpha_{};
+    // Gamma_i = \sum_j  gamma_{i,j}
+    std::array<double, 6> gamma_{};
+
+    double absolute_tolerance_{ 1e-3 };
+    double relative_tolerance_{ 1e-4 };
+
+    size_t number_of_grid_cells_{ 1 };  // Number of grid cells to solve simultaneously
+    bool reorder_state_{ true };        // Reorder state during solver construction to minimize LU fill-in
+    bool check_singularity_{ false };   // Check for singular A matrix in linear solve of A x = b
+
+    // Print RosenbrockSolverParameters to console
+    void print() const;
+
+    /// @brief an L-stable method, 2 stages, order 2
+    /// @param number_of_grid_cells
+    /// @param reorder_state
+    /// @return
+    static RosenbrockSolverParameters two_stage_rosenbrock_parameters(
+        size_t number_of_grid_cells = 1,
+        bool reorder_state = true);
+    /// @brief an L-stable method, 3 stages, order 3, 2 function evaluations
+    /// @param number_of_grid_cells
+    /// @param reorder_state
+    /// @return
+    static RosenbrockSolverParameters three_stage_rosenbrock_parameters(
+        size_t number_of_grid_cells = 1,
+        bool reorder_state = true);
+    /// @brief L-stable rosenbrock method of order 4, with 4 stages
+    /// @param number_of_grid_cells
+    /// @param reorder_state
+    /// @return
+    static RosenbrockSolverParameters four_stage_rosenbrock_parameters(
+        size_t number_of_grid_cells = 1,
+        bool reorder_state = true);
+    /// @brief A stiffly-stable method, 4 stages, order 3
+    /// @param number_of_grid_cells
+    /// @param reorder_state
+    /// @return
+    static RosenbrockSolverParameters four_stage_differential_algebraic_rosenbrock_parameters(
+        size_t number_of_grid_cells = 1,
+        bool reorder_state = true);
+    /// @brief stiffly-stable rosenbrock method of order 4, with 6 stages
+    /// @param number_of_grid_cells
+    /// @param reorder_state
+    /// @return
+    static RosenbrockSolverParameters six_stage_differential_algebraic_rosenbrock_parameters(
+        size_t number_of_grid_cells = 1,
+        bool reorder_state = true);
+
+   private:
+    RosenbrockSolverParameters() = default;
+  };
+
+  inline void RosenbrockSolverParameters::print() const
+  {
+    std::cout << "stages_: " << stages_ << std::endl;
+    std::cout << "upper_limit_tolerance_: " << upper_limit_tolerance_ << std::endl;
+    std::cout << "max_number_of_steps_: " << max_number_of_steps_ << std::endl;
+    std::cout << "round_off_: " << round_off_ << std::endl;
+    std::cout << "factor_min_: " << factor_min_ << std::endl;
+    std::cout << "factor_max_: " << factor_max_ << std::endl;
+    std::cout << "rejection_factor_decrease_: " << rejection_factor_decrease_ << std::endl;
+    std::cout << "safety_factor_: " << safety_factor_ << std::endl;
+    std::cout << "h_min_: " << h_min_ << std::endl;
+    std::cout << "h_max_: " << h_max_ << std::endl;
+    std::cout << "h_start_: " << h_start_ << std::endl;
+    std::cout << "new_function_evaluation_: ";
+    for (bool val : new_function_evaluation_)
+      std::cout << val << " ";
+    std::cout << std::endl;
+    std::cout << "estimator_of_local_order_: " << estimator_of_local_order_ << std::endl;
+    std::cout << "a_: ";
+    for (double val : a_)
+      std::cout << val << " ";
+    std::cout << std::endl;
+    std::cout << "c_: ";
+    for (double val : c_)
+      std::cout << val << " ";
+    std::cout << std::endl;
+    std::cout << "m_: ";
+    for (double val : m_)
+      std::cout << val << " ";
+    std::cout << std::endl;
+    std::cout << "e_: ";
+    for (double val : e_)
+      std::cout << val << " ";
+    std::cout << std::endl;
+    std::cout << "alpha_: ";
+    for (double val : alpha_)
+      std::cout << val << " ";
+    std::cout << std::endl;
+    std::cout << "gamma_: ";
+    for (double val : gamma_)
+      std::cout << val << " ";
+    std::cout << std::endl;
+    std::cout << "absolute_tolerance_: " << absolute_tolerance_ << std::endl;
+    std::cout << "relative_tolerance_: " << relative_tolerance_ << std::endl;
+    std::cout << "number_of_grid_cells_: " << number_of_grid_cells_ << std::endl;
+  }
+
+  inline RosenbrockSolverParameters RosenbrockSolverParameters::two_stage_rosenbrock_parameters(
+      size_t number_of_grid_cells,
+      bool reorder_state)
+  {
+    // an L-stable method, 2 stages, order 2
+
+    RosenbrockSolverParameters parameters;
+    double g = 1.0 + 1.0 / std::sqrt(2.0);
+
+    parameters.stages_ = 2;
+
+    parameters.a_.fill(0);
+    parameters.a_[0] = 1.0 / g;
+
+    parameters.c_.fill(0);
+    parameters.c_[0] = -2.0 / g;
+
+    // Both stages require a new function evaluation
+    parameters.new_function_evaluation_.fill(true);
+
+    parameters.m_.fill(0);
+    parameters.m_[0] = (3.0) / (2.0 * g);
+    parameters.m_[1] = (1.0) / (2.0 * g);
+
+    parameters.e_.fill(0);
+    parameters.e_[0] = 1.0 / (2.0 * g);
+    parameters.e_[1] = 1.0 / (2.0 * g);
+
+    parameters.estimator_of_local_order_ = 2.0;
+
+    parameters.alpha_.fill(0);
+    parameters.alpha_[0] = 0.0;
+    parameters.alpha_[1] = 1.0;
+
+    parameters.gamma_.fill(0);
+    parameters.gamma_[0] = g;
+    parameters.gamma_[1] = -g;
+
+    parameters.number_of_grid_cells_ = number_of_grid_cells;
+    parameters.reorder_state_ = reorder_state;
+
+    return parameters;
+  }
+
+  inline RosenbrockSolverParameters RosenbrockSolverParameters::three_stage_rosenbrock_parameters(
+      size_t number_of_grid_cells,
+      bool reorder_state)
+  {
+    // an L-stable method, 3 stages, order 3, 2 function evaluations
+    //
+    // original formaulation for three stages:
+    // Sandu, A., Verwer, J.G., Blom, J.G., Spee, E.J., Carmichael, G.R., Potra, F.A., 1997.
+    // Benchmarking stiff ode solvers for atmospheric chemistry problems II: Rosenbrock solvers.
+    // Atmospheric Environment 31, 3459–3472. https://doi.org/10.1016/S1352-2310(97)83212-8
+    RosenbrockSolverParameters parameters;
+
+    parameters.stages_ = 3;
+
+    parameters.a_.fill(0);
+    parameters.a_[0] = 1;
+    parameters.a_[1] = 1;
+    parameters.a_[2] = 0;
+
+    parameters.c_.fill(0);
+    parameters.c_[0] = -0.10156171083877702091975600115545e+01;
+    parameters.c_[1] = 0.40759956452537699824805835358067e+01;
+    parameters.c_[2] = 0.92076794298330791242156818474003e+01;
+
+    parameters.new_function_evaluation_.fill(false);
+    parameters.new_function_evaluation_[0] = true;
+    parameters.new_function_evaluation_[1] = true;
+    parameters.new_function_evaluation_[2] = false;
+    parameters.m_.fill(0);
+    parameters.m_[0] = 0.1e+01;
+    parameters.m_[1] = 0.61697947043828245592553615689730e+01;
+    parameters.m_[2] = -0.42772256543218573326238373806514;
+
+    parameters.e_.fill(0);
+    parameters.e_[0] = 0.5;
+    parameters.e_[1] = -0.29079558716805469821718236208017e+01;
+    parameters.e_[2] = 0.22354069897811569627360909276199;
+
+    parameters.estimator_of_local_order_ = 3;
+
+    parameters.alpha_.fill(0);
+    parameters.alpha_[0] = 0;
+    parameters.alpha_[1] = 0.43586652150845899941601945119356;
+    parameters.alpha_[2] = 0.43586652150845899941601945119356;
+
+    parameters.gamma_.fill(0);
+    parameters.gamma_[0] = 0.43586652150845899941601945119356;
+    parameters.gamma_[1] = 0.24291996454816804366592249683314;
+    parameters.gamma_[2] = 0.21851380027664058511513169485832e+01;
+
+    parameters.number_of_grid_cells_ = number_of_grid_cells;
+    parameters.reorder_state_ = reorder_state;
+
+    return parameters;
+  }
+
+  inline RosenbrockSolverParameters RosenbrockSolverParameters::four_stage_rosenbrock_parameters(
+      size_t number_of_grid_cells,
+      bool reorder_state)
+  {
+    // L-STABLE ROSENBROCK METHOD OF ORDER 4, WITH 4 STAGES
+    // L-STABLE EMBEDDED ROSENBROCK METHOD OF ORDER 3
+    //
+    //  E. HAIRER AND G. WANNER, SOLVING ORDINARY DIFFERENTIAL
+    //  EQUATIONS II. STIFF AND DIFFERENTIAL-ALGEBRAIC PROBLEMS.
+    //  SPRINGER SERIES IN COMPUTATIONAL MATHEMATICS,
+    //  SPRINGER-VERLAG (1990)
+    RosenbrockSolverParameters parameters;
+
+    parameters.stages_ = 4;
+
+    parameters.a_.fill(0);
+    parameters.a_[0] = 0.2000000000000000E+01;
+    parameters.a_[1] = 0.1867943637803922E+01;
+    parameters.a_[2] = 0.2344449711399156;
+    parameters.a_[3] = parameters.a_[1];
+    parameters.a_[4] = parameters.a_[2];
+    parameters.a_[5] = 0.0;
+
+    parameters.c_.fill(0);
+    parameters.c_[0] = -0.7137615036412310E+01;
+    parameters.c_[1] = 0.2580708087951457E+01;
+    parameters.c_[2] = 0.6515950076447975;
+    parameters.c_[3] = -0.2137148994382534E+01;
+    parameters.c_[4] = -0.3214669691237626;
+    parameters.c_[5] = -0.6949742501781779;
+
+    parameters.new_function_evaluation_.fill(false);
+    parameters.new_function_evaluation_[0] = true;
+    parameters.new_function_evaluation_[1] = true;
+    parameters.new_function_evaluation_[2] = true;
+    parameters.new_function_evaluation_[3] = false;
+
+    parameters.m_.fill(0);
+    parameters.m_[0] = 0.2255570073418735E+01;
+    parameters.m_[1] = 0.2870493262186792;
+    parameters.m_[2] = 0.4353179431840180;
+    parameters.m_[3] = 0.1093502252409163E+01;
+
+    parameters.e_.fill(0);
+    parameters.e_[0] = -0.2815431932141155;
+    parameters.e_[1] = -0.7276199124938920E-01;
+    parameters.e_[2] = -0.1082196201495311;
+    parameters.e_[3] = -0.1093502252409163E+01;
+
+    parameters.estimator_of_local_order_ = 4.0;
+
+    parameters.alpha_.fill(0);
+    parameters.alpha_[0] = 0.0;
+    parameters.alpha_[1] = 0.1145640000000000E+01;
+    parameters.alpha_[2] = 0.6552168638155900;
+    parameters.alpha_[3] = parameters.alpha_[2];
+
+    parameters.gamma_.fill(0);
+    parameters.gamma_[0] = 0.5728200000000000;
+    parameters.gamma_[1] = -0.1769193891319233E+01;
+    parameters.gamma_[2] = 0.7592633437920482;
+    parameters.gamma_[3] = -0.1049021087100450;
+
+    parameters.number_of_grid_cells_ = number_of_grid_cells;
+    parameters.reorder_state_ = reorder_state;
+
+    return parameters;
+  }
+
+  inline RosenbrockSolverParameters RosenbrockSolverParameters::four_stage_differential_algebraic_rosenbrock_parameters(
+      size_t number_of_grid_cells,
+      bool reorder_state)
+  {
+    // A STIFFLY-STABLE METHOD, 4 stages, order 3
+    RosenbrockSolverParameters parameters;
+
+    // Set the number of stages
+    parameters.stages_ = 4;
+
+    parameters.a_.fill(0.0);
+    parameters.a_[0] = 0.0;
+    parameters.a_[1] = 2.0;
+    parameters.a_[2] = 0.0;
+    parameters.a_[3] = 2.0;
+    parameters.a_[4] = 0.0;
+    parameters.a_[5] = 1.0;
+
+    parameters.c_.fill(0.0);
+    parameters.c_[0] = 4.0;
+    parameters.c_[1] = 1.0;
+    parameters.c_[2] = -1.0;
+    parameters.c_[3] = 1.0;
+    parameters.c_[4] = -1.0;
+    parameters.c_[5] = -(8.0 / 3.0);
+
+    parameters.new_function_evaluation_.fill(false);
+    parameters.new_function_evaluation_[0] = true;
+    parameters.new_function_evaluation_[2] = true;
+    parameters.new_function_evaluation_[3] = true;
+
+    parameters.m_.fill(0.0);
+    parameters.m_[0] = 2.0;
+    parameters.m_[2] = 1.0;
+    parameters.m_[3] = 1.0;
+
+    parameters.e_.fill(0.0);
+    parameters.e_[3] = 1.0;
+
+    parameters.estimator_of_local_order_ = 3.0;
+
+    parameters.alpha_.fill(0.0);
+    parameters.alpha_[2] = 1.0;
+    parameters.alpha_[3] = 1.0;
+
+    parameters.gamma_.fill(0.0);
+    parameters.gamma_[0] = 0.5;
+    parameters.gamma_[1] = 1.5;
+
+    parameters.number_of_grid_cells_ = number_of_grid_cells;
+    parameters.reorder_state_ = reorder_state;
+
+    return parameters;
+  }
+
+  inline RosenbrockSolverParameters RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters(
+      size_t number_of_grid_cells,
+      bool reorder_state)
+  {
+    // STIFFLY-STABLE ROSENBROCK METHOD OF ORDER 4, WITH 6 STAGES
+    //
+    // E. HAIRER AND G. WANNER, SOLVING ORDINARY DIFFERENTIAL
+    // EQUATIONS II. STIFF AND DIFFERENTIAL-ALGEBRAIC PROBLEMS.
+    // SPRINGER SERIES IN COMPUTATIONAL MATHEMATICS,
+    // SPRINGER-VERLAG (1996)
+
+    RosenbrockSolverParameters parameters;
+
+    parameters.stages_ = 6;
+
+    parameters.alpha_.fill(0.0);
+    parameters.alpha_[0] = 0.000;
+    parameters.alpha_[1] = 0.386;
+    parameters.alpha_[2] = 0.210;
+    parameters.alpha_[3] = 0.630;
+    parameters.alpha_[4] = 1.000;
+    parameters.alpha_[5] = 1.000;
+
+    parameters.gamma_.fill(0.0);
+    parameters.gamma_[0] = 0.2500000000000000;
+    parameters.gamma_[1] = -0.1043000000000000;
+    parameters.gamma_[2] = 0.1035000000000000;
+    parameters.gamma_[3] = -0.3620000000000023E-01;
+    parameters.gamma_[4] = 0.0;
+    parameters.gamma_[5] = 0.0;
+
+    parameters.a_.fill(0.0);
+    parameters.a_[0] = 0.1544000000000000E+01;
+    parameters.a_[1] = 0.9466785280815826;
+    parameters.a_[2] = 0.2557011698983284;
+    parameters.a_[3] = 0.3314825187068521E+01;
+    parameters.a_[4] = 0.2896124015972201E+01;
+    parameters.a_[5] = 0.9986419139977817;
+    parameters.a_[6] = 0.1221224509226641E+01;
+    parameters.a_[7] = 0.6019134481288629E+01;
+    parameters.a_[8] = 0.1253708332932087E+02;
+    parameters.a_[9] = -0.6878860361058950;
+    parameters.a_[10] = parameters.a_[6];
+    parameters.a_[11] = parameters.a_[7];
+    parameters.a_[12] = parameters.a_[8];
+    parameters.a_[13] = parameters.a_[9];
+    parameters.a_[14] = 1.0;
+
+    parameters.c_.fill(0.0);
+    parameters.c_[0] = -0.5668800000000000E+01;
+    parameters.c_[1] = -0.2430093356833875E+01;
+    parameters.c_[2] = -0.2063599157091915;
+    parameters.c_[3] = -0.1073529058151375;
+    parameters.c_[4] = -0.9594562251023355E+01;
+    parameters.c_[5] = -0.2047028614809616E+02;
+    parameters.c_[6] = 0.7496443313967647E+01;
+    parameters.c_[7] = -0.1024680431464352E+02;
+    parameters.c_[8] = -0.3399990352819905E+02;
+    parameters.c_[9] = 0.1170890893206160E+02;
+    parameters.c_[10] = 0.8083246795921522E+01;
+    parameters.c_[11] = -0.7981132988064893E+01;
+    parameters.c_[12] = -0.3152159432874371E+02;
+    parameters.c_[13] = 0.1631930543123136E+02;
+    parameters.c_[14] = -0.6058818238834054E+01;
+
+    parameters.m_.fill(0.0);
+    parameters.m_[0] = parameters.a_[6];
+    parameters.m_[1] = parameters.a_[7];
+    parameters.m_[2] = parameters.a_[8];
+    parameters.m_[3] = parameters.a_[9];
+    parameters.m_[4] = 1.0;
+    parameters.m_[5] = 1.0;
+
+    parameters.e_.fill(0.0);
+    parameters.e_[5] = 1.0;
+
+    parameters.new_function_evaluation_.fill(true);
+
+    parameters.estimator_of_local_order_ = 4.0;
+
+    parameters.number_of_grid_cells_ = number_of_grid_cells;
+    parameters.reorder_state_ = reorder_state;
+
+    return parameters;
+  }
+
+
+}
\ No newline at end of file
diff --git a/include/micm/solver/state.hpp b/include/micm/solver/state.hpp
index ac2674bcb..5b7750439 100644
--- a/include/micm/solver/state.hpp
+++ b/include/micm/solver/state.hpp
@@ -3,9 +3,12 @@
 #include <algorithm>
 #include <cstddef>
 #include <map>
+#include <micm/solver/lu_decomposition.hpp>
 #include <micm/system/conditions.hpp>
 #include <micm/system/system.hpp>
+#include <micm/util/jacobian.hpp>
 #include <micm/util/matrix.hpp>
+#include <micm/util/sparse_matrix.hpp>
 #include <stdexcept>
 #include <string>
 #include <unordered_map>
@@ -14,34 +17,41 @@
 namespace micm
 {
 
+  /// @brief Invariants that can be used to construct a state
   struct StateParameters
   {
-    std::vector<std::string> state_variable_names_{};
-    std::vector<std::string> custom_rate_parameter_labels_{};
     std::size_t number_of_grid_cells_{ 1 };
     std::size_t number_of_rate_constants_{ 0 };
+    std::vector<std::string> variable_names_{};
+    std::vector<std::string> custom_rate_parameter_labels_{};
+    std::vector<std::size_t> jacobian_diagonal_elements_{};
+    std::set<std::pair<std::size_t, std::size_t>> nonzero_jacobian_elements_{};
   };
 
-  template<template<class> class MatrixPolicy = Matrix>
+  template<template<class> class MatrixPolicy = Matrix, template<class> class SparseMatrixPolicy = StandardSparseMatrix>
   struct State
   {
+    /// @brief The concentration of chemicals, varies through time
+    MatrixPolicy<double> variables_;
+    /// @brief Rate paramters particular to user-defined rate constants, may vary in time
+    MatrixPolicy<double> custom_rate_parameters_;
+    /// @brief The reaction rates, may vary in time
+    MatrixPolicy<double> rate_constants_;
+    /// @brief Atmospheric conditions, varies in time
     std::vector<Conditions> conditions_;
+    /// @brief The jacobian structure, varies for each solve
+    SparseMatrixPolicy<double> jacobian_;
+    /// @brief Immutable data required for the state
     std::map<std::string, std::size_t> variable_map_;
     std::map<std::string, std::size_t> custom_rate_parameter_map_;
     std::vector<std::string> variable_names_{};
-    MatrixPolicy<double> variables_;
-    MatrixPolicy<double> custom_rate_parameters_;
-    MatrixPolicy<double> rate_constants_;
+    SparseMatrixPolicy<double> lower_matrix_;
+    SparseMatrixPolicy<double> upper_matrix_;
+    size_t state_size_;
 
     /// @brief
     State();
 
-    /// @brief
-    /// @param state_size The number of System state variables
-    /// @param custom_parameters_size The number of custom rate parameters
-    /// @param process_size The number of processes to store rate constants for
-    State(const std::size_t state_size, const std::size_t custom_parameters_size, const std::size_t process_size);
-
     /// @brief
     /// @param parameters State dimension information
     State(const StateParameters& parameters);
diff --git a/include/micm/solver/state.inl b/include/micm/solver/state.inl
index dbd2c2321..b6e71c72e 100644
--- a/include/micm/solver/state.inl
+++ b/include/micm/solver/state.inl
@@ -4,53 +4,52 @@
 namespace micm
 {
 
-  template<template<class> class MatrixPolicy>
-  inline State<MatrixPolicy>::State()
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
+  inline State<MatrixPolicy, SparseMatrixPolicy>::State()
       : conditions_(),
-        variable_map_(),
-        custom_rate_parameter_map_(),
-        variable_names_(),
         variables_(),
         custom_rate_parameters_(),
-        rate_constants_()
-  {
-  }
-
-  template<template<class> class MatrixPolicy>
-  inline State<MatrixPolicy>::State(
-      const std::size_t state_size,
-      const std::size_t custom_parameters_size,
-      const std::size_t process_size)
-      : conditions_(1),
-        variable_map_(),
-        custom_rate_parameter_map_(),
-        variable_names_(),
-        variables_(1, state_size, 0.0),
-        custom_rate_parameters_(1, custom_parameters_size, 0.0),
-        rate_constants_(1, process_size, 0.0)
+        rate_constants_(),
+        jacobian_()
   {
   }
 
-  template<template<class> class MatrixPolicy>
-  inline State<MatrixPolicy>::State(const StateParameters& parameters)
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
+  inline State<MatrixPolicy, SparseMatrixPolicy>::State(const StateParameters& parameters)
       : conditions_(parameters.number_of_grid_cells_),
+        variables_(parameters.number_of_grid_cells_, parameters.variable_names_.size(), 0.0),
+        custom_rate_parameters_(parameters.number_of_grid_cells_, parameters.custom_rate_parameter_labels_.size(), 0.0),
+        rate_constants_(parameters.number_of_grid_cells_, parameters.number_of_rate_constants_, 0.0),
         variable_map_(),
         custom_rate_parameter_map_(),
-        variable_names_(parameters.state_variable_names_),
-        variables_(parameters.number_of_grid_cells_, parameters.state_variable_names_.size(), 0.0),
-        custom_rate_parameters_(parameters.number_of_grid_cells_, parameters.custom_rate_parameter_labels_.size(), 0.0),
-        rate_constants_(parameters.number_of_grid_cells_, parameters.number_of_rate_constants_, 0.0)
+        variable_names_(parameters.variable_names_),
+        jacobian_(),
+        lower_matrix_(),
+        upper_matrix_(),
+        state_size_(parameters.variable_names_.size())
   {
     std::size_t index = 0;
-    for (auto& name : parameters.state_variable_names_)
+    for (auto& name : variable_names_)
       variable_map_[name] = index++;
     index = 0;
     for (auto& label : parameters.custom_rate_parameter_labels_)
       custom_rate_parameter_map_[label] = index++;
+
+    jacobian_ = build_jacobian<SparseMatrixPolicy>(
+      parameters.nonzero_jacobian_elements_,
+      parameters.number_of_grid_cells_,
+      state_size_
+    );
+    
+    auto lu =  LuDecomposition::GetLUMatrices(jacobian_, 1.0e-30);
+    auto lower_matrix = std::move(lu.first);
+    auto upper_matrix = std::move(lu.second);
+    lower_matrix_ = lower_matrix;
+    upper_matrix_ = upper_matrix;
   }
 
-  template<template<class> class MatrixPolicy>
-  inline void State<MatrixPolicy>::SetConcentrations(
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
+  inline void State<MatrixPolicy, SparseMatrixPolicy>::SetConcentrations(
       const std::unordered_map<std::string, std::vector<double>>& species_to_concentration)
   {
     const int num_grid_cells = conditions_.size();
@@ -58,8 +57,8 @@ namespace micm
       SetConcentration({ pair.first }, pair.second);
   }
 
-  template<template<class> class MatrixPolicy>
-  inline void State<MatrixPolicy>::SetConcentration(const Species& species, double concentration)
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
+  inline void State<MatrixPolicy, SparseMatrixPolicy>::SetConcentration(const Species& species, double concentration)
   {
     auto var = variable_map_.find(species.name_);
     if (var == variable_map_.end())
@@ -69,8 +68,8 @@ namespace micm
     variables_[0][variable_map_[species.name_]] = concentration;
   }
 
-  template<template<class> class MatrixPolicy>
-  inline void State<MatrixPolicy>::SetConcentration(const Species& species, const std::vector<double>& concentration)
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
+  inline void State<MatrixPolicy, SparseMatrixPolicy>::SetConcentration(const Species& species, const std::vector<double>& concentration)
   {
     auto var = variable_map_.find(species.name_);
     if (var == variable_map_.end())
@@ -82,16 +81,16 @@ namespace micm
       variables_[i][i_species] = concentration[i];
   }
 
-  template<template<class> class MatrixPolicy>
-  inline void State<MatrixPolicy>::SetCustomRateParameters(
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
+  inline void State<MatrixPolicy, SparseMatrixPolicy>::SetCustomRateParameters(
       const std::unordered_map<std::string, std::vector<double>>& parameters)
   {
     for (auto& pair : parameters)
       SetCustomRateParameter(pair.first, pair.second);
   }
 
-  template<template<class> class MatrixPolicy>
-  inline void State<MatrixPolicy>::SetCustomRateParameter(const std::string& label, double value)
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
+  inline void State<MatrixPolicy, SparseMatrixPolicy>::SetCustomRateParameter(const std::string& label, double value)
   {
     auto param = custom_rate_parameter_map_.find(label);
     if (param == custom_rate_parameter_map_.end())
@@ -101,8 +100,8 @@ namespace micm
     custom_rate_parameters_[0][param->second] = value;
   }
 
-  template<template<class> class MatrixPolicy>
-  inline void State<MatrixPolicy>::SetCustomRateParameter(const std::string& label, const std::vector<double>& values)
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
+  inline void State<MatrixPolicy, SparseMatrixPolicy>::SetCustomRateParameter(const std::string& label, const std::vector<double>& values)
   {
     auto param = custom_rate_parameter_map_.find(label);
     if (param == custom_rate_parameter_map_.end())
diff --git a/include/micm/util/cuda_param.hpp b/include/micm/util/cuda_param.hpp
index 2d95a1ec3..759e2bf4b 100644
--- a/include/micm/util/cuda_param.hpp
+++ b/include/micm/util/cuda_param.hpp
@@ -1,7 +1,10 @@
+// Copyright (C) 2023 National Center for Atmospheric Research,
+//
+// SPDX-License-Identifier: Apache-2.0
+#pragma once
+
 #include <vector>
 
-#ifndef CUDA_PARAM_HPP
-#  define CUDA_PARAM_HPP
 // member data of class CudaProcessSet grouped in struct passing to kernel driver function
 const size_t BLOCK_SIZE = 320;
 struct CudaProcessSetParam
@@ -63,5 +66,4 @@ struct CudaSparseMatrixParam
   double* U_;
   size_t U_size_;
   size_t n_grids_;
-};
-#endif
\ No newline at end of file
+};
\ No newline at end of file
diff --git a/include/micm/util/exit_codes.hpp b/include/micm/util/exit_codes.hpp
deleted file mode 100644
index b5027fb81..000000000
--- a/include/micm/util/exit_codes.hpp
+++ /dev/null
@@ -1,12 +0,0 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
-//
-// SPDX-License-Identifier: Apache-2.0
-#pragma once
-
-namespace micm
-{
-  enum ExitCodes
-  {
-    InvalidMatrixDimension = 1,
-  };
-}
\ No newline at end of file
diff --git a/include/micm/util/jacobian.hpp b/include/micm/util/jacobian.hpp
new file mode 100644
index 000000000..ad18dc3d4
--- /dev/null
+++ b/include/micm/util/jacobian.hpp
@@ -0,0 +1,24 @@
+// Copyright (C) 2023 National Center for Atmospheric Research,
+//
+// SPDX-License-Identifier: Apache-2.0
+#pragma once
+
+namespace micm
+{
+  // annonymous namespace to hide jacobian builder
+  template<template<class> class SparseMatrixPolicy>
+  SparseMatrixPolicy<double> build_jacobian(
+      std::set<std::pair<std::size_t, std::size_t>> nonzero_jacobian_elements,
+      size_t number_of_grid_cells,
+      size_t state_size)
+  {
+    auto builder = SparseMatrixPolicy<double>::create(state_size).number_of_blocks(number_of_grid_cells);
+    for (auto& elem : nonzero_jacobian_elements)
+      builder = builder.with_element(elem.first, elem.second);
+    // Always include diagonal elements
+    for (std::size_t i = 0; i < state_size; ++i)
+      builder = builder.with_element(i, i);
+
+    return SparseMatrixPolicy<double>(builder);
+  }
+}  // namespace micm
\ No newline at end of file
diff --git a/include/micm/util/matrix.hpp b/include/micm/util/matrix.hpp
index fe98bc3a4..9eb4284c7 100644
--- a/include/micm/util/matrix.hpp
+++ b/include/micm/util/matrix.hpp
@@ -5,7 +5,6 @@
 
 #include <cassert>
 #include <iostream>
-#include <micm/util/exit_codes.hpp>
 #include <vector>
 
 namespace micm
@@ -49,8 +48,7 @@ namespace micm
         // check that this row matches the expected rectangular matrix dimensions
         if (other.size() < y_dim_)
         {
-          std::cerr << "Matrix row size mismatch in assignment from vector";
-          std::exit(micm::ExitCodes::InvalidMatrixDimension);
+          throw std::runtime_error("Matrix row size mismatch in assignment from vector");
         }
         auto other_elem = other.begin();
         for (auto &elem : *this)
@@ -163,8 +161,7 @@ namespace micm
                   // check that this row matches the expected rectangular matrix dimensions
                   if (other[x].size() != y_dim)
                   {
-                    std::cerr << "Invalid vector for matrix assignment\n";
-                    std::exit(micm::ExitCodes::InvalidMatrixDimension);
+                    throw std::runtime_error("Invalid vector for matrix assignment");
                   }
                   for (std::size_t y{}; y < y_dim; ++y)
                   {
@@ -217,4 +214,4 @@ namespace micm
     }
   };
 
-}  // namespace micm
\ No newline at end of file
+}  // namespace micm
diff --git a/include/micm/util/vector_matrix.hpp b/include/micm/util/vector_matrix.hpp
index a8507f6f9..465aadd85 100644
--- a/include/micm/util/vector_matrix.hpp
+++ b/include/micm/util/vector_matrix.hpp
@@ -6,7 +6,6 @@
 #include <algorithm>
 #include <cassert>
 #include <cmath>
-#include <micm/util/exit_codes.hpp>
 #include <vector>
 
 #ifndef DEFAULT_VECTOR_SIZE
@@ -52,8 +51,7 @@ namespace micm
       {
         if (other.size() < y_dim_)
         {
-          std::cerr << "Matrix row size mismatch in assignment from vector";
-          std::exit(micm::ExitCodes::InvalidMatrixDimension);
+          throw std::runtime_error("Matrix row size mismatch in assignment from vector.");
         }
         auto iter = std::next(matrix_.data_.begin(), group_index_ * y_dim_ * L + row_index_);
         std::for_each(
@@ -165,8 +163,7 @@ namespace micm
                 {
                   if (other_row.size() != y_dim)
                   {
-                    std::cerr << "Invalid vector for matrix assignment\n";
-                    std::exit(micm::ExitCodes::InvalidMatrixDimension);
+                    throw std::runtime_error("Invalid vector for matrix assignment");
                   }
                   auto iter = std::next(data.begin(), std::floor(i_row / (double)L) * y_dim * L + i_row % L);
                   for (auto &elem : other_row)
diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt
index 1766b5172..bf5414137 100644
--- a/src/CMakeLists.txt
+++ b/src/CMakeLists.txt
@@ -28,6 +28,10 @@ if(ENABLE_MPI)
   target_link_libraries(micm INTERFACE MPI::MPI_CXX)
 endif()
 
+if(ENABLE_LLVM)
+  target_link_libraries(micm INTERFACE ${llvm_libs})
+endif()
+
 if(ENABLE_OPENACC OR ENABLE_CUDA)
   if(NOT GPU_TYPE)
     message(FATAL_ERROR "GPU_TYPE is not set or is empty. Please provide a GPU type.")
@@ -80,10 +84,6 @@ if(ENABLE_CUDA)
     PUBLIC cudart
   )
 
-  target_compile_definitions(micm_cuda
-    PUBLIC
-      USE_CUDA
-  )
 endif()
 
 add_subdirectory(process)
diff --git a/test/integration/analytical_rosenbrock.cpp b/test/integration/analytical_rosenbrock.cpp
index 83dae3188..6d72a32ce 100644
--- a/test/integration/analytical_rosenbrock.cpp
+++ b/test/integration/analytical_rosenbrock.cpp
@@ -238,7 +238,7 @@ TEST(AnalyticalExamples, Oregonator)
     { 0.1000814870318523E+01, 0.1228178521549889E+04, 0.1320554942846513E+03 },
   };
 
-  micm::State<micm::Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   state.variables_[0] = model_concentrations[0];
 
@@ -372,7 +372,7 @@ TEST(AnalyticalExamples, Oregonator2)
     { 0.1000814870318523E+01, 0.1228178521549889E+04, 0.1320554942846513E+03 },
   };
 
-  micm::State<micm::Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   double k1 = 77.27;
   double k2 = 0.161;
@@ -525,7 +525,7 @@ TEST(AnalyticalExamples, HIRES)
       0.004685507242281520 },
   };
 
-  micm::State<micm::Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   state.variables_[0] = model_concentrations[0];
 
@@ -624,7 +624,7 @@ TEST(AnalyticalExamples, E5)
     { 0.0000000000000000000e-000, 8.8612334976263783420e-023, 8.8612334976263783421e-023, 0.0000000000000000000e-000 }
   };
 
-  micm::State<micm::Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   state.variables_[0] = model_concentrations[0];
 
@@ -661,4 +661,4 @@ TEST(AnalyticalExamples, E5)
           << "difference at (" << i << ", " << j << ")";
     }
   }
-}
\ No newline at end of file
+}
diff --git a/test/integration/chapman.cpp b/test/integration/chapman.cpp
index 01da9b6e7..a0c422b9c 100644
--- a/test/integration/chapman.cpp
+++ b/test/integration/chapman.cpp
@@ -132,7 +132,7 @@ TEST(ChapmanIntegration, CanBuildChapmanSystem)
     micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
   };
 
-  micm::State<micm::Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   std::vector<double> concentrations{ 0.1, 0.1, 0.1, 0.2, 0.2, 0.2, 0.3, 0.3, 0.3 };
   state.variables_[0] = concentrations;
diff --git a/test/integration/e5.hpp b/test/integration/e5.hpp
index 9eb7d4cb8..f5763df1e 100644
--- a/test/integration/e5.hpp
+++ b/test/integration/e5.hpp
@@ -8,6 +8,8 @@ template<
     class LinearSolverPolicy = micm::LinearSolver<double, SparseMatrixPolicy>>
 class E5 : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
 {
+  std::set<std::pair<std::size_t, std::size_t>> nonzero_jacobian_elements_;
+
  public:
   /// @brief Builds a Rosenbrock solver for the given system, processes, and solver parameters
   /// @param system The chemical system to create the solver for
@@ -17,28 +19,62 @@ class E5 : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, Linea
      const micm::RosenbrockSolverParameters& parameters)
       : micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>()
   {
-    this->system_ = system;
     this->processes_ = processes;
     this->parameters_ = parameters;
-    this->N_ = this->system_.StateSize() * this->parameters_.number_of_grid_cells_;
+
     auto builder = SparseMatrixPolicy<double>::create(4).number_of_blocks(1).initial_value(0.0);
     for (int i = 0; i < 4; ++i)
     {
       for (int j = 0; j < 4; ++j)
       {
         builder = builder.with_element(i, j);
+        nonzero_jacobian_elements_.insert(std::make_pair(i, j));
       }
     }
-    this->jacobian_ = builder;
-    for (std::size_t i = 0; i < this->jacobian_[0].size(); ++i)
-      this->jacobian_diagonal_elements_.push_back(this->jacobian_.VectorIndex(0, i, i));
-    this->linear_solver_ = LinearSolverPolicy(this->jacobian_, 1.0e-30);
+    SparseMatrixPolicy<double> jacobian = SparseMatrixPolicy<double>(builder);
+
+    std::vector<std::size_t> jacobian_diagonal_elements;
+    for (std::size_t i = 0; i < jacobian[0].size(); ++i)
+      jacobian_diagonal_elements.push_back(jacobian.VectorIndex(0, i, i));
+
+    std::vector<std::string> param_labels{};
+    for (const auto& process : processes)
+      if (process.rate_constant_)
+        for (auto& label : process.rate_constant_->CustomParameters())
+          param_labels.push_back(label);
+
+    std::function<std::string(const std::vector<std::string>& variables, const std::size_t i)> state_reordering;
+    this->state_parameters_ = {
+      .number_of_grid_cells_ = 1,
+      .number_of_rate_constants_ = processes.size(),
+      .variable_names_ = system.UniqueNames(state_reordering),
+      .custom_rate_parameter_labels_ = param_labels,
+      .jacobian_diagonal_elements_ = jacobian_diagonal_elements,
+    };
+
+    this->linear_solver_ = LinearSolverPolicy(jacobian, 1.0e-30);
   }
 
   ~E5()
   {
   }
 
+  micm::State<MatrixPolicy, SparseMatrixPolicy> GetState() const override
+  {
+    auto state = micm::State<MatrixPolicy, SparseMatrixPolicy>{ this->state_parameters_ };
+
+    state.jacobian_ = micm::build_jacobian<SparseMatrixPolicy>(
+        nonzero_jacobian_elements_, this->state_parameters_.number_of_grid_cells_, this->state_parameters_.variable_names_.size());
+
+    auto lu = micm::LuDecomposition::GetLUMatrices(state.jacobian_, 1.0e-30);
+    auto lower_matrix = std::move(lu.first);
+    auto upper_matrix = std::move(lu.second);
+    state.lower_matrix_ = lower_matrix;
+    state.upper_matrix_ = upper_matrix;
+
+    return state;
+  }
+
   /// @brief Calculate a chemical forcing
   /// @param rate_constants List of rate constants for each needed species
   /// @param number_densities The number density of each species
@@ -49,7 +85,6 @@ class E5 : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, Linea
       MatrixPolicy<double>& forcing) override
   {
     std::fill(forcing.AsVector().begin(), forcing.AsVector().end(), 0.0);
-    this->stats_.function_calls += 1;
 
     auto data = number_densities.AsVector();
 
@@ -74,7 +109,6 @@ class E5 : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, Linea
   {
     std::fill(jacobian.AsVector().begin(), jacobian.AsVector().end(), 0.0);
     auto data = number_densities.AsVector();
-    this->stats_.jacobian_updates += 1;
 
     double A = 7.89e-10;
     double B = 1.1e7;
diff --git a/test/integration/hires.hpp b/test/integration/hires.hpp
index 9fb638c26..0c39a896f 100644
--- a/test/integration/hires.hpp
+++ b/test/integration/hires.hpp
@@ -8,6 +8,8 @@ template<
     class LinearSolverPolicy = micm::LinearSolver<double, SparseMatrixPolicy>>
 class HIRES : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
 {
+  std::set<std::pair<std::size_t, std::size_t>> nonzero_jacobian_elements_;
+
  public:
   /// @brief Builds a Rosenbrock solver for the given system, processes, and solver parameters
   /// @param system The chemical system to create the solver for
@@ -18,28 +20,62 @@ class HIRES : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, Li
       const micm::RosenbrockSolverParameters& parameters)
       : micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>()
   {
-    this->system_ = system;
     this->processes_ = processes;
     this->parameters_ = parameters;
-    this->N_ = this->system_.StateSize() * this->parameters_.number_of_grid_cells_;
+
     auto builder = SparseMatrixPolicy<double>::create(8).number_of_blocks(1).initial_value(0.0);
     for (int i = 0; i < 8; ++i)
     {
       for (int j = 0; j < 8; ++j)
       {
         builder = builder.with_element(i, j);
+        nonzero_jacobian_elements_.insert(std::make_pair(i, j));
       }
     }
-    this->jacobian_ = builder;
-    for (std::size_t i = 0; i < this->jacobian_[0].size(); ++i)
-      this->jacobian_diagonal_elements_.push_back(this->jacobian_.VectorIndex(0, i, i));
-    this->linear_solver_ = LinearSolverPolicy(this->jacobian_, 1.0e-30);
+    SparseMatrixPolicy<double> jacobian = SparseMatrixPolicy<double>(builder);
+
+    std::vector<std::size_t> jacobian_diagonal_elements;
+    for (std::size_t i = 0; i < jacobian[0].size(); ++i)
+      jacobian_diagonal_elements.push_back(jacobian.VectorIndex(0, i, i));
+
+    std::vector<std::string> param_labels{};
+    for (const auto& process : processes)
+      if (process.rate_constant_)
+        for (auto& label : process.rate_constant_->CustomParameters())
+          param_labels.push_back(label);
+
+    std::function<std::string(const std::vector<std::string>& variables, const std::size_t i)> state_reordering;
+    this->state_parameters_ = {
+      .number_of_grid_cells_ = 1,
+      .number_of_rate_constants_ = processes.size(),
+      .variable_names_ = system.UniqueNames(state_reordering),
+      .custom_rate_parameter_labels_ = param_labels,
+      .jacobian_diagonal_elements_ = jacobian_diagonal_elements,
+    };
+
+    this->linear_solver_ = LinearSolverPolicy(jacobian, 1.0e-30);
   }
 
   ~HIRES()
   {
   }
 
+  micm::State<MatrixPolicy, SparseMatrixPolicy> GetState() const override
+  {
+    auto state = micm::State<MatrixPolicy, SparseMatrixPolicy>{ this->state_parameters_ };
+
+    state.jacobian_ = micm::build_jacobian<SparseMatrixPolicy>(
+        nonzero_jacobian_elements_, this->state_parameters_.number_of_grid_cells_, this->state_parameters_.variable_names_.size());
+
+    auto lu = micm::LuDecomposition::GetLUMatrices(state.jacobian_, 1.0e-30);
+    auto lower_matrix = std::move(lu.first);
+    auto upper_matrix = std::move(lu.second);
+    state.lower_matrix_ = lower_matrix;
+    state.upper_matrix_ = upper_matrix;
+
+    return state;
+  }
+
   /// @brief Calculate a chemical forcing
   /// @param rate_constants List of rate constants for each needed species
   /// @param number_densities The number density of each species
@@ -50,7 +86,6 @@ class HIRES : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, Li
       MatrixPolicy<double>& forcing) override
   {
     std::fill(forcing.AsVector().begin(), forcing.AsVector().end(), 0.0);
-    this->stats_.function_calls += 1;
 
     auto data = number_densities.AsVector();
 
@@ -75,7 +110,6 @@ class HIRES : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, Li
   {
     std::fill(jacobian.AsVector().begin(), jacobian.AsVector().end(), 0.0);
     auto data = number_densities.AsVector();
-    this->stats_.jacobian_updates += 1;
 
     jacobian[0][0][0] = -1.71;
     jacobian[0][0][1] = 0.43;
diff --git a/test/integration/oregonator.hpp b/test/integration/oregonator.hpp
index 42a1e0449..6c457c282 100644
--- a/test/integration/oregonator.hpp
+++ b/test/integration/oregonator.hpp
@@ -8,6 +8,8 @@ template<
     class LinearSolverPolicy = micm::LinearSolver<double, SparseMatrixPolicy>>
 class Oregonator : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
 {
+  std::set<std::pair<std::size_t, std::size_t>> nonzero_jacobian_elements_;
+
  public:
   /// @brief Builds a Rosenbrock solver for the given system, processes, and solver parameters
   /// @param system The chemical system to create the solver for
@@ -18,28 +20,62 @@ class Oregonator : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolic
       const micm::RosenbrockSolverParameters& parameters)
       : micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>()
   {
-    this->system_ = system;
     this->processes_ = processes;
     this->parameters_ = parameters;
-    this->N_ = this->system_.StateSize() * this->parameters_.number_of_grid_cells_;
+
     auto builder = SparseMatrixPolicy<double>::create(3).number_of_blocks(1).initial_value(0.0);
     for (int i = 0; i < 3; ++i)
     {
       for (int j = 0; j < 3; ++j)
       {
         builder = builder.with_element(i, j);
+        nonzero_jacobian_elements_.insert(std::make_pair(i, j));
       }
     }
-    this->jacobian_ = builder;
-    for (std::size_t i = 0; i < this->jacobian_[0].size(); ++i)
-      this->jacobian_diagonal_elements_.push_back(this->jacobian_.VectorIndex(0, i, i));
-    this->linear_solver_ = LinearSolverPolicy(this->jacobian_, 1.0e-30);
+    SparseMatrixPolicy<double> jacobian = SparseMatrixPolicy<double>(builder);
+
+    std::vector<std::size_t> jacobian_diagonal_elements;
+    for (std::size_t i = 0; i < jacobian[0].size(); ++i)
+      jacobian_diagonal_elements.push_back(jacobian.VectorIndex(0, i, i));
+
+    std::vector<std::string> param_labels{};
+    for (const auto& process : processes)
+      if (process.rate_constant_)
+        for (auto& label : process.rate_constant_->CustomParameters())
+          param_labels.push_back(label);
+
+    std::function<std::string(const std::vector<std::string>& variables, const std::size_t i)> state_reordering;
+    this->state_parameters_ = {
+      .number_of_grid_cells_ = 1,
+      .number_of_rate_constants_ = processes.size(),
+      .variable_names_ = system.UniqueNames(state_reordering),
+      .custom_rate_parameter_labels_ = param_labels,
+      .jacobian_diagonal_elements_ = jacobian_diagonal_elements,
+    };
+
+    this->linear_solver_ = LinearSolverPolicy(jacobian, 1.0e-30);
   }
 
   ~Oregonator()
   {
   }
 
+  micm::State<MatrixPolicy, SparseMatrixPolicy> GetState() const override
+  {
+    auto state = micm::State<MatrixPolicy, SparseMatrixPolicy>{ this->state_parameters_ };
+
+    state.jacobian_ = micm::build_jacobian<SparseMatrixPolicy>(
+        nonzero_jacobian_elements_, this->state_parameters_.number_of_grid_cells_, this->state_parameters_.variable_names_.size());
+
+    auto lu = micm::LuDecomposition::GetLUMatrices(state.jacobian_, 1.0e-30);
+    auto lower_matrix = std::move(lu.first);
+    auto upper_matrix = std::move(lu.second);
+    state.lower_matrix_ = lower_matrix;
+    state.upper_matrix_ = upper_matrix;
+
+    return state;
+  }
+
   /// @brief Calculate a chemical forcing
   /// @param rate_constants List of rate constants for each needed species
   /// @param number_densities The number density of each species
@@ -50,7 +86,6 @@ class Oregonator : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolic
       MatrixPolicy<double>& forcing) override
   {
     std::fill(forcing.AsVector().begin(), forcing.AsVector().end(), 0.0);
-    this->stats_.function_calls += 1;
 
     auto data = number_densities.AsVector();
 
@@ -69,7 +104,6 @@ class Oregonator : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolic
       SparseMatrixPolicy<double>& jacobian) override
   {
     auto data = number_densities.AsVector();
-    this->stats_.jacobian_updates += 1;
 
     jacobian[0][0][0] = 77.27 * (1. - 2. * 8.375e-6 * data[0] - data[1]);
     jacobian[0][0][1] = 77.27 * (1. - data[0]);
diff --git a/test/integration/terminator.hpp b/test/integration/terminator.hpp
index 3d300c58e..f4cd848c8 100644
--- a/test/integration/terminator.hpp
+++ b/test/integration/terminator.hpp
@@ -44,7 +44,7 @@ void TestTerminator(
 
   auto solver = create_solver(
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::vector<micm::Process>{ toy_r1, toy_r2 });
-  micm::State<MatrixPolicy> state = solver.GetState();
+  auto state = solver.GetState();
 
   auto get_double = std::bind(std::lognormal_distribution(-2.0, 2.0), std::default_random_engine());
   std::unordered_map<std::string, std::vector<double>> concentrations{ { "Cl2", {} }, { "Cl", {} } };
diff --git a/test/kpp/test_kpp_to_micm.cpp b/test/kpp/test_kpp_to_micm.cpp
index 05ad70117..a491bc73a 100644
--- a/test/kpp/test_kpp_to_micm.cpp
+++ b/test/kpp/test_kpp_to_micm.cpp
@@ -16,8 +16,8 @@ void print_header()
             << "," << std::setw(11) << "O1D" << std::endl;
 }
 
-template<template<class> class T>
-void print_state(double time, micm::State<T>& state)
+template<template<class> class T, template<class> class D>
+void print_state(double time, micm::State<T, D>& state)
 {
   std::ios oldState(nullptr);
   oldState.copyfmt(std::cout);
diff --git a/test/regression/RosenbrockChapman/chapman_ode_solver.hpp b/test/regression/RosenbrockChapman/chapman_ode_solver.hpp
index b38477363..917710fc8 100644
--- a/test/regression/RosenbrockChapman/chapman_ode_solver.hpp
+++ b/test/regression/RosenbrockChapman/chapman_ode_solver.hpp
@@ -124,11 +124,11 @@ namespace micm
 
     /// @brief Returns a list of species that participate in photolysis
     /// @return vector of strings
-    std::vector<std::string> photolysis_names();
+    std::vector<std::string> photolysis_names() const;
 
     /// @brief Returns a list of species names
     /// @return vector of strings
-    std::vector<std::string> species_names();
+    std::vector<std::string> species_names() const;
 
     /// @brief Calculate a chemical forcing
     /// @param rate_constants List of rate constants for each needed species
@@ -305,7 +305,14 @@ namespace micm
 
   inline State<> ChapmanODESolver::GetState() const
   {
-    return State<Matrix>{ 9, 3, 7 };
+    auto state_parameters = micm::StateParameters{
+      .number_of_grid_cells_ = 1,
+      .number_of_rate_constants_ = 7,
+      .variable_names_ = species_names(),
+      .custom_rate_parameter_labels_ = photolysis_names(),
+    };
+    
+    return micm::State{ state_parameters };
   }
 
   inline ChapmanODESolver::SolverResult ChapmanODESolver::Solve(double time_start, double time_end, State<>& state) noexcept
@@ -488,7 +495,7 @@ namespace micm
     return std::vector<std::string>{ "O2_1", "O3_1", "O3_2", "N2_O1D_1", "O1D_O2_1", "O_O3_1", "M_O_O2_1" };
   }
 
-  inline std::vector<std::string> ChapmanODESolver::photolysis_names()
+  inline std::vector<std::string> ChapmanODESolver::photolysis_names() const
   {
     return std::vector<std::string>{
       "O2_1",
@@ -497,7 +504,7 @@ namespace micm
     };
   }
 
-  inline std::vector<std::string> ChapmanODESolver::species_names()
+  inline std::vector<std::string> ChapmanODESolver::species_names() const
   {
     return std::vector<std::string>{
       "M", "Ar", "CO2", "H2O", "N2", "O1D", "O", "O2", "O3",
diff --git a/test/regression/RosenbrockChapman/regression_test_dforce_dy_policy.hpp b/test/regression/RosenbrockChapman/regression_test_dforce_dy_policy.hpp
index f95bb15a0..a86c2599f 100644
--- a/test/regression/RosenbrockChapman/regression_test_dforce_dy_policy.hpp
+++ b/test/regression/RosenbrockChapman/regression_test_dforce_dy_policy.hpp
@@ -25,7 +25,7 @@ void testJacobian(OdeSolverPolicy& solver)
   auto& rate_const_vec = state.rate_constants_.AsVector();
   std::generate(state_vec.begin(), state_vec.end(), [&]() { return dist(engine); });
 
-  auto& jacobian = solver.jacobian_;
+  auto& jacobian = state.jacobian_;
   solver.CalculateJacobian(state.rate_constants_, state.variables_, jacobian);
 
   for (std::size_t i{}; i < 3; ++i)
diff --git a/test/tutorial/test_but_how_fast_is_it.cpp b/test/tutorial/test_but_how_fast_is_it.cpp
index 209296878..f36949ee6 100644
--- a/test/tutorial/test_but_how_fast_is_it.cpp
+++ b/test/tutorial/test_but_how_fast_is_it.cpp
@@ -37,7 +37,7 @@ int main()
                              std::vector<Process>{ r1, r2, r3 },
                              RosenbrockSolverParameters::three_stage_rosenbrock_parameters(3, false) };
 
-  State<Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   // mol m-3
   state.SetConcentration(a, std::vector<double>{ 1, 2, 0.5 });
diff --git a/test/tutorial/test_multiple_grid_cells.cpp b/test/tutorial/test_multiple_grid_cells.cpp
index 988d814a1..a922e4caa 100644
--- a/test/tutorial/test_multiple_grid_cells.cpp
+++ b/test/tutorial/test_multiple_grid_cells.cpp
@@ -15,8 +15,8 @@ void print_header()
             << "," << std::setw(10) << "C" << std::endl;
 }
 
-template<template<class> class T>
-void print_state(double time, State<T>& state)
+template<template<class> class T, template<class> class D>
+void print_state(double time, State<T, D>& state)
 {
   std::ios oldState(nullptr);
   oldState.copyfmt(std::cout);
@@ -74,7 +74,7 @@ int main()
                                    std::vector<micm::Process>{ r1, r2, r3 },
                                    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(3, false) };
 
-  State<Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   // mol m-3
   state.SetConcentration(a, std::vector<double>{ 1, 2, 0.5 });
diff --git a/test/tutorial/test_openmp.cpp b/test/tutorial/test_openmp.cpp
index 16a935cab..003827c6c 100644
--- a/test/tutorial/test_openmp.cpp
+++ b/test/tutorial/test_openmp.cpp
@@ -23,12 +23,9 @@ void print_results(std::vector<double> results)
   std::cout.copyfmt(oldState);
 }
 
-std::vector<double> test_solver_on_thread(System chemical_system, std::vector<Process> reactions)
+std::vector<double> run_solver_on_thread_with_own_state(auto& solver, auto& state)
 {
-  RosenbrockSolver<> solver{ chemical_system,
-                             reactions,
-                             RosenbrockSolverParameters::three_stage_rosenbrock_parameters(1, false) };
-  State<Matrix> state = solver.GetState();
+  std::cout << "Running solver on thread " << omp_get_thread_num() << std::endl;
 
   // mol m-3
   state.variables_[0] = { 1, 0, 0 };
@@ -83,11 +80,15 @@ int main()
   auto chemical_system = solver_params.system_;
   auto reactions = solver_params.processes_;
 
-  std::vector<std::vector<double>> results(3);
+  std::vector<std::vector<double>> results(n_threads);
+
+  RosenbrockSolver<> solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
 
 #pragma omp parallel num_threads(n_threads)
   {
-    std::vector<double> result = test_solver_on_thread(chemical_system, reactions);
+    // each thread should use its own state
+    auto state = solver.GetState();
+    std::vector<double> result = run_solver_on_thread_with_own_state(solver, state);
     results[omp_get_thread_num()] = result;
 #pragma omp barrier
   }
diff --git a/test/tutorial/test_rate_constants_user_defined_by_hand.cpp b/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
index 5ca59be84..ec06f6638 100644
--- a/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
+++ b/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
@@ -27,8 +27,8 @@ void print_header()
             << "," << std::setw(10) << "G" << std::endl;
 }
 
-template<template<class> class T>
-void print_state(double time, State<T>& state)
+template<template<class> class T, template<class> class D>
+void print_state(double time, State<T, D>& state)
 {
   std::ios oldState(nullptr);
   oldState.copyfmt(std::cout);
diff --git a/test/tutorial/test_rate_constants_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_user_defined_with_config.cpp
index 59ddbb5d8..fb013fa5d 100644
--- a/test/tutorial/test_rate_constants_user_defined_with_config.cpp
+++ b/test/tutorial/test_rate_constants_user_defined_with_config.cpp
@@ -27,8 +27,8 @@ void print_header()
             << "," << std::setw(10) << "G" << std::endl;
 }
 
-template<template<class> class T>
-void print_state(double time, State<T>& state)
+template<template<class> class T, template<class> class D>
+void print_state(double time, State<T, D>& state)
 {
   std::ios oldState(nullptr);
   oldState.copyfmt(std::cout);
diff --git a/test/tutorial/test_solver_configuration.cpp b/test/tutorial/test_solver_configuration.cpp
index e52b5d76b..16616c400 100644
--- a/test/tutorial/test_solver_configuration.cpp
+++ b/test/tutorial/test_solver_configuration.cpp
@@ -15,8 +15,8 @@ void print_header()
             << "," << std::setw(10) << "C" << std::endl;
 }
 
-template<template<class> class T>
-void print_state(double time, State<T>& state)
+template<template<class> class T, template<class> class D>
+void print_state(double time, State<T, D>& state)
 {
   std::ios oldState(nullptr);
   oldState.copyfmt(std::cout);
@@ -32,7 +32,7 @@ void print_state(double time, State<T>& state)
 template<typename T>
 void test_solver_type(T solver)
 {
-  State<Matrix> state = solver.GetState();
+  auto state = solver.GetState();
 
   // mol m-3
   state.variables_[0] = { 1, 0, 0 };
@@ -58,9 +58,9 @@ void test_solver_type(T solver)
   print_header();
   print_state(0, state);
 
-  typename T::SolverStats total_stats;
+  SolverStats total_stats;
   std::chrono::duration<double, std::nano> total_solve_time = std::chrono::nanoseconds::zero();
-  ;
+
 
   // solve for ten iterations
   for (int i = 0; i < 10; ++i)
diff --git a/test/unit/openmp/CMakeLists.txt b/test/unit/openmp/CMakeLists.txt
index 7db63577c..b744f9807 100644
--- a/test/unit/openmp/CMakeLists.txt
+++ b/test/unit/openmp/CMakeLists.txt
@@ -6,4 +6,7 @@ include(test_util)
 ################################################################################
 # Tests
 
-create_standard_test(NAME openmp SOURCES test_openmp.cpp)
\ No newline at end of file
+create_standard_test(NAME openmp SOURCES test_openmp.cpp)
+if(ENABLE_LLVM)
+  create_standard_test(NAME openmp_jit_solver SOURCES test_openmp_jit_solver.cpp)
+endif()
\ No newline at end of file
diff --git a/test/unit/openmp/run_solver.hpp b/test/unit/openmp/run_solver.hpp
new file mode 100644
index 000000000..d1e01020e
--- /dev/null
+++ b/test/unit/openmp/run_solver.hpp
@@ -0,0 +1,40 @@
+#pragma once
+
+std::vector<double> run_solver_on_thread_with_own_state(auto& solver, auto& state)
+{
+  std::cout << "Running solver on thread " << omp_get_thread_num() << std::endl;
+
+  // mol m-3
+  state.variables_[0] = { 1, 0, 0 };
+
+  double k1 = 0.04;
+  double k2 = 3e7;
+  double k3 = 1e4;
+  state.SetCustomRateParameter("PHOTO.r1", k1);
+  state.SetCustomRateParameter("PHOTO.r2", k2);
+  state.SetCustomRateParameter("PHOTO.r3", k3);
+
+  double temperature = 272.5;  // [K]
+  double pressure = 101253.3;  // [Pa]
+  double air_density = 1e6;    // [mol m-3]
+
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.conditions_[0].air_density_ = air_density;
+
+  double time_step = 200;  // s
+
+  for (int i = 0; i < 10; ++i)
+  {
+    double elapsed_solve_time = 0;
+
+    while (elapsed_solve_time < time_step)
+    {
+      auto result = solver.Solve(time_step - elapsed_solve_time, state);
+      elapsed_solve_time = result.final_time_;
+      state.variables_ = result.result_;
+    }
+  }
+
+  return state.variables_.AsVector();
+}
\ No newline at end of file
diff --git a/test/unit/openmp/test_openmp.cpp b/test/unit/openmp/test_openmp.cpp
index 94707145f..575c12a24 100644
--- a/test/unit/openmp/test_openmp.cpp
+++ b/test/unit/openmp/test_openmp.cpp
@@ -4,55 +4,13 @@
 #include <micm/configure/solver_config.hpp>
 #include <micm/solver/rosenbrock.hpp>
 
-using namespace micm;
-
-template<class T>
-using SparseMatrixPolicy = SparseMatrix<T>;
-
-std::vector<double> test_solver_on_thread(System chemical_system, std::vector<Process> reactions)
-{
-  std::cout << "Running solver on thread " << omp_get_thread_num() << std::endl;
-  RosenbrockSolver<> solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
-  State<Matrix> state = solver.GetState();
-
-  // mol m-3
-  state.variables_[0] = { 1, 0, 0 };
-
-  double k1 = 0.04;
-  double k2 = 3e7;
-  double k3 = 1e4;
-  state.SetCustomRateParameter("PHOTO.r1", k1);
-  state.SetCustomRateParameter("PHOTO.r2", k2);
-  state.SetCustomRateParameter("PHOTO.r3", k3);
-
-  double temperature = 272.5;  // [K]
-  double pressure = 101253.3;  // [Pa]
-  double air_density = 1e6;    // [mol m-3]
-
-  state.conditions_[0].temperature_ = temperature;
-  state.conditions_[0].pressure_ = pressure;
-  state.conditions_[0].air_density_ = air_density;
-
-  double time_step = 200;  // s
-
-  for (int i = 0; i < 10; ++i)
-  {
-    double elapsed_solve_time = 0;
-
-    while (elapsed_solve_time < time_step)
-    {
-      auto result = solver.Solve(time_step - elapsed_solve_time, state);
-      elapsed_solve_time = result.final_time_;
-      state.variables_ = result.result_;
-    }
-  }
+#include "run_solver.hpp"
 
-  return state.variables_.AsVector();
-}
+using namespace micm;
 
-TEST(OpenMP, OneFileReadThreeThreads)
+TEST(OpenMP, OneSolverManyStates)
 {
-  constexpr size_t n_threads = 3;
+  constexpr size_t n_threads = 8;
 
   SolverConfig solverConfig;
 
@@ -68,19 +26,22 @@ TEST(OpenMP, OneFileReadThreeThreads)
   auto chemical_system = solver_params.system_;
   auto reactions = solver_params.processes_;
 
-  std::vector<std::vector<double>> results(3);
+  std::vector<std::vector<double>> results(n_threads);
+
+  RosenbrockSolver<> solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
 
 #pragma omp parallel num_threads(n_threads)
   {
-    std::vector<double> result = test_solver_on_thread(chemical_system, reactions);
+    auto state = solver.GetState();
+    std::vector<double> result = run_solver_on_thread_with_own_state(solver, state);
     results[omp_get_thread_num()] = result;
 #pragma omp barrier
   }
 
-  for (int i = 0; i < results[0].size(); ++i)
-  {
-    EXPECT_EQ(results[0][i], results[1][i]);
-    EXPECT_EQ(results[0][i], results[2][i]);
-    EXPECT_EQ(results[1][i], results[2][i]);
+  // compare each thread to thread 1
+  for (int i = 1; i < n_threads; ++i) {
+    for (int j = 0; j < results[0].size(); ++j) {
+      EXPECT_EQ(results[0][j], results[i][j]);
+    }
   }
-}
\ No newline at end of file
+}
diff --git a/test/unit/openmp/test_openmp_jit_solver.cpp b/test/unit/openmp/test_openmp_jit_solver.cpp
new file mode 100644
index 000000000..5e43588a1
--- /dev/null
+++ b/test/unit/openmp/test_openmp_jit_solver.cpp
@@ -0,0 +1,64 @@
+#include <gtest/gtest.h>
+#include <omp.h>
+
+#include <micm/configure/solver_config.hpp>
+#include <micm/jit/jit_compiler.hpp>
+#include <micm/solver/jit_rosenbrock.hpp>
+#include <micm/util/sparse_matrix.hpp>
+
+#include "run_solver.hpp"
+
+using namespace micm;
+
+template<class T>
+using Group1VectorMatrix = micm::VectorMatrix<T, 1>;
+template<class T>
+using Group1SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<1>>;
+
+TEST(OpenMP, JITOneSolverManyStates)
+{
+  constexpr size_t n_threads = 8;
+
+  SolverConfig solverConfig;
+
+  std::string config_path = "./unit_configs/robertson";
+  ConfigParseStatus status = solverConfig.ReadAndParse(config_path);
+  if (status != micm::ConfigParseStatus::Success)
+  {
+    throw "Parsing failed";
+  }
+
+  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
+
+  auto chemical_system = solver_params.system_;
+  auto reactions = solver_params.processes_;
+
+  std::vector<std::vector<double>> results(n_threads);
+
+  auto jit{ micm::JitCompiler::create() };
+  JitRosenbrockSolver<
+    Group1VectorMatrix, 
+    Group1SparseVectorMatrix, 
+    JitLinearSolver<1, Group1SparseVectorMatrix>
+    > solver(
+      jit.get(), 
+      chemical_system, 
+      reactions, 
+      RosenbrockSolverParameters::three_stage_rosenbrock_parameters() 
+    );
+
+#pragma omp parallel num_threads(n_threads)
+  {
+    auto state = solver.GetState();
+    std::vector<double> result = run_solver_on_thread_with_own_state(solver, state);
+    results[omp_get_thread_num()] = result;
+#pragma omp barrier
+  }
+
+  // compare each thread to thread 1
+  for (int i = 1; i < n_threads; ++i) {
+    for (int j = 0; j < results[0].size(); ++j) {
+      EXPECT_EQ(results[0][j], results[i][j]);
+    }
+  }
+}
diff --git a/test/unit/process/test_arrhenius_rate_constant.cpp b/test/unit/process/test_arrhenius_rate_constant.cpp
index 54dcd0f64..286d7279e 100644
--- a/test/unit/process/test_arrhenius_rate_constant.cpp
+++ b/test/unit/process/test_arrhenius_rate_constant.cpp
@@ -7,73 +7,75 @@
 TEST(ArrheniusRateConstant, CalculateWithSystem)
 {
   micm::ArrheniusRateConstant zero{};
-  micm::State<micm::Matrix> state{ 0, 0, 1 };
-  state.conditions_[0].temperature_ = 301.24;  // [K]
-  std::vector<double>::const_iterator params = state.custom_rate_parameters_[0].begin();
-  auto k = zero.calculate(state.conditions_[0], params);
+  micm::Conditions conditions = {
+    .temperature_ = 301.24  // [K]
+  };
+
+  auto k = zero.calculate(conditions);
   EXPECT_NEAR(k, 1, 0.01);
 
   micm::ArrheniusRateConstantParameters parameters;
   parameters.A_ = 1;
 
   micm::ArrheniusRateConstant basic(parameters);
-  k = basic.calculate(state.conditions_[0], params);
+  k = basic.calculate(conditions);
   EXPECT_NEAR(k, 1, 0.01);
 
   // values from https://jpldataeval.jpl.nasa.gov/pdf/JPL_00-03.pdf
   parameters.A_ = 2.2e-10;
   micm::ArrheniusRateConstant o1d(parameters);
-  k = o1d.calculate(state.conditions_[0], params);
+  k = o1d.calculate(conditions);
   EXPECT_NEAR(k, 2.2e-10, 0.01);
 
   // O + HO2 -> OH + O2
   parameters.A_ = 3e-11;
   parameters.C_ = -200;
   micm::ArrheniusRateConstant hox(parameters);
-  k = hox.calculate(state.conditions_[0], params);
+  k = hox.calculate(conditions);
   EXPECT_NEAR(k, 3e-11 * std::exp(-200 / 301.24), 0.01);
 
   // OH + HCl → H2O + Cl
   parameters.A_ = 2.6e-12;
   parameters.C_ = -350;
   micm::ArrheniusRateConstant clox(parameters);
-  k = clox.calculate(state.conditions_[0], params);
+  k = clox.calculate(conditions);
   EXPECT_NEAR(k, 2.6e-12 * std::exp(-350 / 301.24), 0.01);
 }
 
 TEST(ArrheniusRateConstant, CalculateWithPrescribedArugments)
 {
-  micm::State<micm::Matrix> state{ 0, 0, 1 };
-  state.conditions_[0].temperature_ = 301.24;  // [K]
-  std::vector<double>::const_iterator params = state.custom_rate_parameters_[0].begin();
+  micm::Conditions conditions = {
+    .temperature_ = 301.24  // [K]
+  };
+
   micm::ArrheniusRateConstant zero{};
-  auto k = zero.calculate(state.conditions_[0], params);
+  auto k = zero.calculate(conditions);
   EXPECT_NEAR(k, 1, 0.01);
 
   micm::ArrheniusRateConstantParameters parameters;
   parameters.A_ = 1;
 
   micm::ArrheniusRateConstant basic(parameters);
-  k = basic.calculate(state.conditions_[0], params);
+  k = basic.calculate(conditions);
   EXPECT_NEAR(k, 1, 0.01);
 
   // values from https://jpldataeval.jpl.nasa.gov/pdf/JPL_00-03.pdf
   parameters.A_ = 2.2e-10;
   micm::ArrheniusRateConstant o1d(parameters);
-  k = o1d.calculate(state.conditions_[0], params);
+  k = o1d.calculate(conditions);
   EXPECT_NEAR(k, 2.2e-10, 0.01);
 
   // O + HO2 -> OH + O2
   parameters.A_ = 3e-11;
   parameters.C_ = -200;
   micm::ArrheniusRateConstant hox(parameters);
-  k = hox.calculate(state.conditions_[0], params);
+  k = hox.calculate(conditions);
   EXPECT_NEAR(k, 3e-11 * std::exp(200 / 301.24), 0.01);
 
   // OH + HCl → H2O + Cl
   parameters.A_ = 2.6e-12;
   parameters.C_ = -350;
   micm::ArrheniusRateConstant clox(parameters);
-  k = clox.calculate(state.conditions_[0], params);
+  k = clox.calculate(conditions);
   EXPECT_NEAR(k, 2.6e-12 * std::exp(-350 / 301.24), 0.01);
 }
diff --git a/test/unit/process/test_branched_rate_constant.cpp b/test/unit/process/test_branched_rate_constant.cpp
index 8430c1b4b..d1f57a6af 100644
--- a/test/unit/process/test_branched_rate_constant.cpp
+++ b/test/unit/process/test_branched_rate_constant.cpp
@@ -7,14 +7,15 @@
 
 TEST(BranchedRateConstant, CalculateAlkoxyBranchWithAllArugments)
 {
-  micm::State<micm::Matrix> state{ 0, 0, 1 };
   double temperature = 301.24;
-  state.conditions_[0].temperature_ = temperature;  // [K]
-  state.conditions_[0].air_density_ = 42.2;         // [mol mol-1]
-  std::vector<double>::const_iterator params = state.custom_rate_parameters_[0].begin();
+  micm::Conditions conditions = {
+    .temperature_ = temperature,  // [K]
+    .air_density_ = 42.2          // [mol mol-1]
+  };
+
   micm::BranchedRateConstant branched{ micm::BranchedRateConstantParameters{
       .branch_ = micm::BranchedRateConstantParameters::Branch::Alkoxy, .X_ = 1.2, .Y_ = 204.3, .a0_ = 1.0e-3, .n_ = 2 } };
-  auto k = branched.calculate(state.conditions_[0], params);
+  auto k = branched.calculate(conditions);
   double air_dens_n_cm3 = 42.2 * AVOGADRO_CONSTANT * 1.0e-6;
   double a = 2.0e-22 * std::exp(2) * 2.45e19;
   double b = 0.43 * std::pow((293.0 / 298.0), -8.0);
@@ -28,14 +29,15 @@ TEST(BranchedRateConstant, CalculateAlkoxyBranchWithAllArugments)
 
 TEST(BranchedRateConstant, CalculateNitrateBranchWithAllArugments)
 {
-  micm::State<micm::Matrix> state{ 0, 0, 1 };
   double temperature = 301.24;
-  state.conditions_[0].temperature_ = temperature;  // [K]
-  state.conditions_[0].air_density_ = 42.2;         // [mol mol-1]
-  std::vector<double>::const_iterator params = state.custom_rate_parameters_[0].begin();
+  micm::Conditions conditions = {
+    .temperature_ = temperature,  // [K]
+    .air_density_ = 42.2          // [mol mol-1]
+  };
+
   micm::BranchedRateConstant branched{ micm::BranchedRateConstantParameters{
       .branch_ = micm::BranchedRateConstantParameters::Branch::Nitrate, .X_ = 1.2, .Y_ = 204.3, .a0_ = 1.0e-3, .n_ = 2 } };
-  auto k = branched.calculate(state.conditions_[0], params);
+  auto k = branched.calculate(conditions);
   double air_dens_n_cm3 = 42.2 * AVOGADRO_CONSTANT * 1.0e-6;
   double a = 2.0e-22 * std::exp(2) * 2.45e19;
   double b = 0.43 * std::pow((293.0 / 298.0), -8.0);
diff --git a/test/unit/process/test_cuda_process_set.cpp b/test/unit/process/test_cuda_process_set.cpp
index 2fbdc9bd2..cf063e97c 100644
--- a/test/unit/process/test_cuda_process_set.cpp
+++ b/test/unit/process/test_cuda_process_set.cpp
@@ -38,10 +38,12 @@ void testRandomSystemAddForcingTerms(std::size_t n_cells, std::size_t n_reaction
     species_names.push_back(std::to_string(i));
   }
   micm::Phase gas_phase{ species };
-  micm::State<MatrixPolicy> state{ micm::StateParameters{ .state_variable_names_{ species_names },
-                                                          .custom_rate_parameter_labels_{},
-                                                          .number_of_grid_cells_ = n_cells,
-                                                          .number_of_rate_constants_ = n_reactions } };
+  micm::State<MatrixPolicy> state{ micm::StateParameters{
+      .number_of_grid_cells_ = n_cells,
+      .number_of_rate_constants_ = n_reactions,
+      .variable_names_{ species_names },
+      .custom_rate_parameter_labels_{},
+  } };
 
   std::vector<micm::Process> processes{};
   for (std::size_t i = 0; i < n_reactions; ++i)
@@ -61,8 +63,8 @@ void testRandomSystemAddForcingTerms(std::size_t n_cells, std::size_t n_reaction
     processes.push_back(micm::Process::create().reactants(reactants).products(products).phase(gas_phase));
   }
 
-  micm::ProcessSet cpu_set{ processes, state };
-  micm::CudaProcessSet gpu_set{ processes, state };
+  micm::ProcessSet cpu_set{ processes, state.variable_map_ };
+  micm::CudaProcessSet gpu_set{ processes, state.variable_map_ };
 
   for (auto& elem : state.variables_.AsVector())
     elem = get_double();
@@ -110,9 +112,11 @@ void testRandomSystemAddJacobianTerms(std::size_t n_cells, std::size_t n_reactio
     species_names.push_back(std::to_string(i));
   }
   micm::Phase gas_phase{ species };
-  micm::State<MatrixPolicy> state{ micm::StateParameters{ .state_variable_names_{ species_names },
-                                                          .number_of_grid_cells_ = n_cells,
-                                                          .number_of_rate_constants_ = n_reactions } };
+  micm::State<MatrixPolicy> state{ micm::StateParameters{
+      .number_of_grid_cells_ = n_cells,
+      .number_of_rate_constants_ = n_reactions,
+      .variable_names_{ species_names },
+  } };
 
   std::vector<micm::Process> processes{};
   for (std::size_t i = 0; i < n_reactions; ++i)
@@ -132,8 +136,8 @@ void testRandomSystemAddJacobianTerms(std::size_t n_cells, std::size_t n_reactio
     processes.push_back(micm::Process::create().reactants(reactants).products(products).phase(gas_phase));
   }
 
-  micm::ProcessSet cpu_set{ processes, state };
-  micm::CudaProcessSet gpu_set{ processes, state };
+  micm::ProcessSet cpu_set{ processes, state.variable_map_ };
+  micm::CudaProcessSet gpu_set{ processes, state.variable_map_ };
 
   for (auto& elem : state.variables_.AsVector())
     elem = get_double();
diff --git a/test/unit/process/test_jit_process_set.cpp b/test/unit/process/test_jit_process_set.cpp
index 51190bfd5..e1476070d 100644
--- a/test/unit/process/test_jit_process_set.cpp
+++ b/test/unit/process/test_jit_process_set.cpp
@@ -30,8 +30,8 @@ TEST(JitProcessSet, VectorMatrix)
   }
   testProcessSet<Group2VectorMatrix, Group2SparseVectorMatrix, micm::JitProcessSet<2>>(
       [&](const std::vector<micm::Process>& processes,
-          const micm::State<Group2VectorMatrix>& state) -> micm::JitProcessSet<2> {
-        return micm::JitProcessSet<2>{ jit.get(), processes, state };
+          const micm::State<Group2VectorMatrix, Group2SparseVectorMatrix>& state) -> micm::JitProcessSet<2> {
+        return micm::JitProcessSet<2>{ jit.get(), processes, state.variable_map_ };
       });
 }
 
@@ -43,36 +43,36 @@ TEST(RandomJitProcessSet, VectorMatrix)
     llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
     EXPECT_TRUE(false);
   }
-  testRandomSystem<Group2000VectorMatrix, micm::JitProcessSet<2000>>(
+  testRandomSystem<Group2000VectorMatrix, micm::StandardSparseMatrix, micm::JitProcessSet<2000>>(
       2000,
       20,
       30,
       [&](const std::vector<micm::Process>& processes,
           const micm::State<Group2000VectorMatrix>& state) -> micm::JitProcessSet<2000> {
-        return micm::JitProcessSet<2000>{ jit.get(), processes, state };
+        return micm::JitProcessSet<2000>{ jit.get(), processes, state.variable_map_ };
       });
-  testRandomSystem<Group3000VectorMatrix, micm::JitProcessSet<3000>>(
+  testRandomSystem<Group3000VectorMatrix, micm::StandardSparseMatrix, micm::JitProcessSet<3000>>(
       3000,
       50,
       40,
       [&](const std::vector<micm::Process>& processes,
           const micm::State<Group3000VectorMatrix>& state) -> micm::JitProcessSet<3000> {
-        return micm::JitProcessSet<3000>{ jit.get(), processes, state };
+        return micm::JitProcessSet<3000>{ jit.get(), processes, state.variable_map_ };
       });
-  testRandomSystem<Group3000VectorMatrix, micm::JitProcessSet<3000>>(
+  testRandomSystem<Group3000VectorMatrix, micm::StandardSparseMatrix, micm::JitProcessSet<3000>>(
       3000,
       30,
       20,
       [&](const std::vector<micm::Process>& processes,
           const micm::State<Group3000VectorMatrix>& state) -> micm::JitProcessSet<3000> {
-        return micm::JitProcessSet<3000>{ jit.get(), processes, state };
+        return micm::JitProcessSet<3000>{ jit.get(), processes, state.variable_map_ };
       });
-  testRandomSystem<Group4000VectorMatrix, micm::JitProcessSet<4000>>(
+  testRandomSystem<Group4000VectorMatrix, micm::StandardSparseMatrix, micm::JitProcessSet<4000>>(
       4000,
       100,
       80,
       [&](const std::vector<micm::Process>& processes,
           const micm::State<Group4000VectorMatrix>& state) -> micm::JitProcessSet<4000> {
-        return micm::JitProcessSet<4000>{ jit.get(), processes, state };
+        return micm::JitProcessSet<4000>{ jit.get(), processes, state.variable_map_ };
       });
 }
\ No newline at end of file
diff --git a/test/unit/process/test_process.cpp b/test/unit/process/test_process.cpp
index a3112e573..aa8ed0be5 100644
--- a/test/unit/process/test_process.cpp
+++ b/test/unit/process/test_process.cpp
@@ -30,9 +30,11 @@ void testProcessUpdateState(const std::size_t number_of_grid_cells)
   for (const auto& process : processes)
     for (auto& label : process.rate_constant_->CustomParameters())
       param_labels.push_back(label);
-  micm::State<MatrixPolicy> state{ micm::StateParameters{ .custom_rate_parameter_labels_ = param_labels,
-                                                          .number_of_grid_cells_ = number_of_grid_cells,
-                                                          .number_of_rate_constants_ = processes.size() } };
+  micm::State<MatrixPolicy> state{ micm::StateParameters{ .number_of_grid_cells_ = number_of_grid_cells,
+                                                          .number_of_rate_constants_ = processes.size(),
+                                                          .variable_names_ = { "foo", "bar'" },
+                                                          .custom_rate_parameter_labels_ = param_labels,
+                                                          } };
 
   MatrixPolicy<double> expected_rate_constants(number_of_grid_cells, 3, 0.0);
   std::vector<double> params = { 0.0, 0.0, 0.0 };
diff --git a/test/unit/process/test_process_set.cpp b/test/unit/process/test_process_set.cpp
index 265008ce3..ba7a51d85 100644
--- a/test/unit/process/test_process_set.cpp
+++ b/test/unit/process/test_process_set.cpp
@@ -34,52 +34,52 @@ using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorO
 TEST(ProcessSet, Matrix)
 {
   testProcessSet<micm::Matrix, SparseMatrixTest, micm::ProcessSet>(
-      [](const std::vector<micm::Process>& processes, const micm::State<micm::Matrix>& state) -> micm::ProcessSet {
-        return micm::ProcessSet{ processes, state };
+      [](const std::vector<micm::Process>& processes, const micm::State<micm::Matrix, SparseMatrixTest>& state) -> micm::ProcessSet {
+        return micm::ProcessSet{ processes, state.variable_map_ };
       });
 }
 
 TEST(ProcessSet, VectorMatrix)
 {
   testProcessSet<Group1VectorMatrix, Group1SparseVectorMatrix, micm::ProcessSet>(
-      [](const std::vector<micm::Process>& processes, const micm::State<Group1VectorMatrix>& state) -> micm::ProcessSet {
-        return micm::ProcessSet{ processes, state };
+      [](const std::vector<micm::Process>& processes, const micm::State<Group1VectorMatrix, Group1SparseVectorMatrix>& state) -> micm::ProcessSet {
+        return micm::ProcessSet{ processes, state.variable_map_ };
       });
   testProcessSet<Group2VectorMatrix, Group2SparseVectorMatrix, micm::ProcessSet>(
-      [](const std::vector<micm::Process>& processes, const micm::State<Group2VectorMatrix>& state) -> micm::ProcessSet {
-        return micm::ProcessSet{ processes, state };
+      [](const std::vector<micm::Process>& processes, const micm::State<Group2VectorMatrix, Group2SparseVectorMatrix>& state) -> micm::ProcessSet {
+        return micm::ProcessSet{ processes, state.variable_map_ };
       });
   testProcessSet<Group3VectorMatrix, Group3SparseVectorMatrix, micm::ProcessSet>(
-      [](const std::vector<micm::Process>& processes, const micm::State<Group3VectorMatrix>& state) -> micm::ProcessSet {
-        return micm::ProcessSet{ processes, state };
+      [](const std::vector<micm::Process>& processes, const micm::State<Group3VectorMatrix, Group3SparseVectorMatrix>& state) -> micm::ProcessSet {
+        return micm::ProcessSet{ processes, state.variable_map_ };
       });
   testProcessSet<Group4VectorMatrix, Group4SparseVectorMatrix, micm::ProcessSet>(
-      [](const std::vector<micm::Process>& processes, const micm::State<Group4VectorMatrix>& state) -> micm::ProcessSet {
-        return micm::ProcessSet{ processes, state };
+      [](const std::vector<micm::Process>& processes, const micm::State<Group4VectorMatrix, Group4SparseVectorMatrix>& state) -> micm::ProcessSet {
+        return micm::ProcessSet{ processes, state.variable_map_ };
       });
 }
 
 TEST(RandomProcessSet, Matrix)
 {
-  testRandomSystem<micm::Matrix, micm::ProcessSet>(
+  testRandomSystem<micm::Matrix, SparseMatrixTest, micm::ProcessSet>(
       2000,
       500,
       400,
-      [](const std::vector<micm::Process>& processes, const micm::State<micm::Matrix>& state) -> micm::ProcessSet {
-        return micm::ProcessSet{ processes, state };
+      [](const std::vector<micm::Process>& processes, const micm::State<micm::Matrix, SparseMatrixTest>& state) -> micm::ProcessSet {
+        return micm::ProcessSet{ processes, state.variable_map_ };
       });
-  testRandomSystem<micm::Matrix, micm::ProcessSet>(
+  testRandomSystem<micm::Matrix, SparseMatrixTest, micm::ProcessSet>(
       3000,
       300,
       200,
-      [](const std::vector<micm::Process>& processes, const micm::State<micm::Matrix>& state) -> micm::ProcessSet {
-        return micm::ProcessSet{ processes, state };
+      [](const std::vector<micm::Process>& processes, const micm::State<micm::Matrix, SparseMatrixTest>& state) -> micm::ProcessSet {
+        return micm::ProcessSet{ processes, state.variable_map_ };
       });
-  testRandomSystem<micm::Matrix, micm::ProcessSet>(
+  testRandomSystem<micm::Matrix, SparseMatrixTest, micm::ProcessSet>(
       4000,
       100,
       80,
-      [](const std::vector<micm::Process>& processes, const micm::State<micm::Matrix>& state) -> micm::ProcessSet {
-        return micm::ProcessSet{ processes, state };
+      [](const std::vector<micm::Process>& processes, const micm::State<micm::Matrix, SparseMatrixTest>& state) -> micm::ProcessSet {
+        return micm::ProcessSet{ processes, state.variable_map_ };
       });
 }
\ No newline at end of file
diff --git a/test/unit/process/test_process_set_policy.hpp b/test/unit/process/test_process_set_policy.hpp
index 38cb54ed4..e8609b605 100644
--- a/test/unit/process/test_process_set_policy.hpp
+++ b/test/unit/process/test_process_set_policy.hpp
@@ -14,7 +14,7 @@ void compare_pair(const index_pair& a, const index_pair& b)
 
 template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class ProcessSetPolicy>
 void testProcessSet(
-    const std::function<ProcessSetPolicy(const std::vector<micm::Process>&, const micm::State<MatrixPolicy>&)> create_set)
+    const std::function<ProcessSetPolicy(const std::vector<micm::Process>&, const micm::State<MatrixPolicy, SparseMatrixPolicy>&)> create_set)
 {
   auto foo = micm::Species("foo");
   auto bar = micm::Species("bar");
@@ -26,9 +26,9 @@ void testProcessSet(
 
   micm::Phase gas_phase{ std::vector<micm::Species>{ foo, bar, qux, baz, quz, quuz } };
 
-  micm::State<MatrixPolicy> state{ micm::StateParameters{ .state_variable_names_{ "foo", "bar", "baz", "quz", "quuz" },
-                                                          .number_of_grid_cells_ = 2,
-                                                          .number_of_rate_constants_ = 3 } };
+  micm::State<MatrixPolicy, SparseMatrixPolicy> state(
+      micm::StateParameters{ .number_of_grid_cells_ = 2, .number_of_rate_constants_ = 3,
+      .variable_names_{ "foo", "bar", "baz", "quz", "quuz" }});
 
   micm::Process r1 =
       micm::Process::create().reactants({ foo, baz }).products({ yields(bar, 1), yields(quuz, 2.4) }).phase(gas_phase);
@@ -116,12 +116,12 @@ void testProcessSet(
   EXPECT_EQ(jacobian[1][4][2], 100.0 + 2.4 * 110.0 * 1.1);
 }
 
-template<template<class> class MatrixPolicy, class ProcessSetPolicy>
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class ProcessSetPolicy>
 void testRandomSystem(
     std::size_t n_cells,
     std::size_t n_reactions,
     std::size_t n_species,
-    const std::function<ProcessSetPolicy(const std::vector<micm::Process>&, const micm::State<MatrixPolicy>&)> create_set)
+    const std::function<ProcessSetPolicy(const std::vector<micm::Process>&, const micm::State<MatrixPolicy, SparseMatrixPolicy>&)> create_set)
 {
   auto get_n_react = std::bind(std::uniform_int_distribution<>(0, 3), std::default_random_engine());
   auto get_n_product = std::bind(std::uniform_int_distribution<>(0, 10), std::default_random_engine());
@@ -136,9 +136,11 @@ void testRandomSystem(
     species_names.push_back(std::to_string(i));
   }
   micm::Phase gas_phase{ species };
-  micm::State<MatrixPolicy> state{ micm::StateParameters{ .state_variable_names_{ species_names },
-                                                          .number_of_grid_cells_ = n_cells,
-                                                          .number_of_rate_constants_ = n_reactions } };
+  micm::State<MatrixPolicy, SparseMatrixPolicy> state{ micm::StateParameters{
+      .number_of_grid_cells_ = n_cells,
+      .number_of_rate_constants_ = n_reactions,
+      .variable_names_{ species_names },
+  } };
   std::vector<micm::Process> processes{};
   for (std::size_t i = 0; i < n_reactions; ++i)
   {
diff --git a/test/unit/process/test_surface_rate_constant.cpp b/test/unit/process/test_surface_rate_constant.cpp
index 0444e7f48..5046cb7e1 100644
--- a/test/unit/process/test_surface_rate_constant.cpp
+++ b/test/unit/process/test_surface_rate_constant.cpp
@@ -7,7 +7,15 @@
 TEST(SurfaceRateConstant, CalculateDefaultProbability)
 {
   micm::Species foo("foo", { { "molecular weight [kg mol-1]", 0.025 }, { "diffusion coefficient [m2 s-1]", 2.3e2 } });
-  micm::State<micm::Matrix> state{ 0, 2, 1 };
+
+  auto state_parameters_ = micm::StateParameters{
+    .number_of_grid_cells_ = 1,
+    .number_of_rate_constants_ = 1,
+    .variable_names_ = {"surface"},
+    .custom_rate_parameter_labels_ = { "effective radius [m]", "particle number concentration [# m-3]" },
+  };
+  
+  micm::State state{ state_parameters_ };
   state.custom_rate_parameters_[0][0] = 1.0e-7;  // effective radius [m]
   state.custom_rate_parameters_[0][1] = 2.5e6;   // particle concentration [# m-3]
   state.conditions_[0].temperature_ = 273.65;    // K
@@ -25,7 +33,14 @@ TEST(SurfaceRateConstant, CalculateDefaultProbability)
 TEST(SurfaceRateConstant, CalculateSpecifiedProbability)
 {
   micm::Species foo("foo", { { "molecular weight [kg mol-1]", 0.025 }, { "diffusion coefficient [m2 s-1]", 2.3e2 } });
-  micm::State<micm::Matrix> state{ 0, 2, 1 };
+  auto state_parameters_ = micm::StateParameters{
+    .number_of_grid_cells_ = 1,
+    .number_of_rate_constants_ = 1,
+    .variable_names_ = {"surface"},
+    .custom_rate_parameter_labels_ = { "effective radius [m]", "particle number concentration [# m-3]" },
+  };
+  
+  micm::State state{ state_parameters_ };
   state.custom_rate_parameters_[0][0] = 1.0e-7;  // effective radius [m]
   state.custom_rate_parameters_[0][1] = 2.5e6;   // particle concentration [# m-3]
   state.conditions_[0].temperature_ = 273.65;    // K
diff --git a/test/unit/process/test_ternary_chemical_activation_rate_constant.cpp b/test/unit/process/test_ternary_chemical_activation_rate_constant.cpp
index 85b39bdf1..630ec135b 100644
--- a/test/unit/process/test_ternary_chemical_activation_rate_constant.cpp
+++ b/test/unit/process/test_ternary_chemical_activation_rate_constant.cpp
@@ -6,15 +6,15 @@
 
 TEST(TernaryChemicalActivationRateConstant, CalculateWithMinimalArugments)
 {
-  micm::State<micm::Matrix> state{ 0, 0, 1 };
-  state.conditions_[0].temperature_ = 301.24;  // [K]
-  state.conditions_[0].air_density_ = 42.2;    // [mol mol-1]
-  std::vector<double>::const_iterator params = state.custom_rate_parameters_[0].begin();
+  micm::Conditions conditions {
+    .temperature_ = 301.24,  // [K]
+    .air_density_ = 42.2,    // [mol mol-1]
+  };
   micm::TernaryChemicalActivationRateConstantParameters ternary_params;
   ternary_params.k0_A_ = 1.0;
   ternary_params.kinf_A_ = 1.0;
   micm::TernaryChemicalActivationRateConstant ternary{ ternary_params };
-  auto k = ternary.calculate(state.conditions_[0], params);
+  auto k = ternary.calculate(conditions);
   double k0 = 1.0;
   double kinf = 1.0;
   EXPECT_EQ(k, k0 / (1.0 + k0 * 42.2 / kinf) * std::pow(0.6, 1.0 / (1 + std::pow(std::log10(k0 * 42.2 / kinf), 2))));
@@ -22,11 +22,11 @@ TEST(TernaryChemicalActivationRateConstant, CalculateWithMinimalArugments)
 
 TEST(TernaryChemicalActivationRateConstant, CalculateWithAllArugments)
 {
-  micm::State<micm::Matrix> state{ 0, 0, 1 };
-  double temperature = 301.24;
-  state.conditions_[0].temperature_ = temperature;  // [K]
-  state.conditions_[0].air_density_ = 42.2;         // [mol mol-1]
-  std::vector<double>::const_iterator params = state.custom_rate_parameters_[0].begin();
+  double temperature = 301.24; // [K]
+  micm::Conditions conditions {
+    .temperature_ = temperature,  
+    .air_density_ = 42.2,     // [mol mol-1]
+  };
   micm::TernaryChemicalActivationRateConstant ternary{ micm::TernaryChemicalActivationRateConstantParameters{
       .k0_A_ = 1.2,
       .k0_B_ = 2.3,
@@ -36,7 +36,7 @@ TEST(TernaryChemicalActivationRateConstant, CalculateWithAllArugments)
       .kinf_C_ = 402.1,
       .Fc_ = 0.9,
       .N_ = 1.2 } };
-  auto k = ternary.calculate(state.conditions_[0], params);
+  auto k = ternary.calculate(conditions);
   double k0 = 1.2 * std::exp(302.3 / temperature) * std::pow(temperature / 300.0, 2.3);
   double kinf = 2.6 * std::exp(402.1 / temperature) * std::pow(temperature / 300.0, -3.1);
   EXPECT_EQ(
diff --git a/test/unit/process/test_troe_rate_constant.cpp b/test/unit/process/test_troe_rate_constant.cpp
index 029def7d2..674631b8f 100644
--- a/test/unit/process/test_troe_rate_constant.cpp
+++ b/test/unit/process/test_troe_rate_constant.cpp
@@ -6,15 +6,15 @@
 
 TEST(TroeRateConstant, CalculateWithMinimalArugments)
 {
-  micm::State<micm::Matrix> state{ 0, 0, 1 };
-  state.conditions_[0].temperature_ = 301.24;  // [K]
-  state.conditions_[0].air_density_ = 42.2;    // [mol mol-1]
-  std::vector<double>::const_iterator params = state.custom_rate_parameters_[0].begin();
+  micm::Conditions conditions {
+    .temperature_ = 301.24,  // [K]
+    .air_density_ = 42.2,    // [mol mol-1]
+  };
   micm::TroeRateConstantParameters troe_params;
   troe_params.k0_A_ = 1.0;
   troe_params.kinf_A_ = 1.0;
   micm::TroeRateConstant troe{ troe_params };
-  auto k = troe.calculate(state.conditions_[0], params);
+  auto k = troe.calculate(conditions);
   double k0 = 1.0;
   double kinf = 1.0;
   EXPECT_EQ(k, 42.2 * k0 / (1.0 + 42.2 * k0 / kinf) * std::pow(0.6, 1.0 / (1 + std::pow(std::log10(42.2 * k0 / kinf), 2))));
@@ -22,11 +22,11 @@ TEST(TroeRateConstant, CalculateWithMinimalArugments)
 
 TEST(TroeRateConstant, CalculateWithAllArugments)
 {
-  micm::State<micm::Matrix> state{ 0, 0, 1 };
-  double temperature = 301.24;
-  state.conditions_[0].temperature_ = temperature;  // [K]
-  state.conditions_[0].air_density_ = 42.2;         // [mol mol-1]
-  std::vector<double>::const_iterator params = state.custom_rate_parameters_[0].begin();
+  double temperature = 301.24; // [K]
+  micm::Conditions conditions {
+    .temperature_ = temperature,  
+    .air_density_ = 42.2,     // [mol mol-1]
+  };
   micm::TroeRateConstant troe{ micm::TroeRateConstantParameters{ .k0_A_ = 1.2,
                                                                  .k0_B_ = 2.3,
                                                                  .k0_C_ = 302.3,
@@ -35,7 +35,7 @@ TEST(TroeRateConstant, CalculateWithAllArugments)
                                                                  .kinf_C_ = 402.1,
                                                                  .Fc_ = 0.9,
                                                                  .N_ = 1.2 } };
-  auto k = troe.calculate(state.conditions_[0], params);
+  auto k = troe.calculate(conditions);
   double k0 = 1.2 * std::exp(302.3 / temperature) * std::pow(temperature / 300.0, 2.3);
   double kinf = 2.6 * std::exp(402.1 / temperature) * std::pow(temperature / 300.0, -3.1);
   EXPECT_EQ(
@@ -47,17 +47,16 @@ TEST(TroeRateConstant, CalculateWithAllArugments)
 TEST(TroeRateConstant, AnalyticalTroeExampleAB)
 {
   // based off of the troe rate constants in the analytical integration test:
-  micm::State<micm::Matrix> state{ 0, 0, 1 };
-  state.conditions_[0].temperature_ = 301.24;  // [K]
-  state.conditions_[0].air_density_ = 42.2;    // [mol mol-1]
-
-  auto params = state.custom_rate_parameters_[0].begin();
+  micm::Conditions conditions {
+    .temperature_ = 301.24,  // [K]
+    .air_density_ = 42.2,    // [mol mol-1]
+  };
 
   micm::TroeRateConstantParameters troe_params;
   troe_params.k0_A_ = 4.0e-18;
   micm::TroeRateConstant troe{ troe_params };
 
-  auto k = troe.calculate(state.conditions_[0], params);
+  auto k = troe.calculate(conditions);
 
   double k_0 = 4.0e-18;
   double k_inf = 1;
@@ -70,18 +69,17 @@ TEST(TroeRateConstant, AnalyticalTroeExampleAB)
 TEST(TroeRateConstant, AnalyticalTroeExampleBC)
 {
   // based off of the troe rate constants in the analytical integration test:
-  micm::State<micm::Matrix> state{ 0, 0, 1 };
-  state.conditions_[0].temperature_ = 301.24;  // [K]
-  state.conditions_[0].air_density_ = 42.2;    // [mol mol-1]
-
-  auto params = state.custom_rate_parameters_[0].begin();
+  micm::Conditions conditions {
+    .temperature_ = 301.24,  // [K]
+    .air_density_ = 42.2,    // [mol mol-1]
+  };
 
   micm::TroeRateConstantParameters troe_params{
     .k0_A_ = 1.2e-12, .k0_B_ = 167.0, .k0_C_ = 3.0, .kinf_A_ = 136.0, .kinf_B_ = 5.0, .kinf_C_ = 24.0, .Fc_ = 0.9, .N_ = 0.8
   };
   micm::TroeRateConstant troe{ troe_params };
 
-  auto k = troe.calculate(state.conditions_[0], params);
+  auto k = troe.calculate(conditions);
 
   double k_0 = 1.2e-12 * std::exp(3.0 / 301.24) * std::pow(301.24 / 300.0, 167.0);
   double k_inf = 136.0 * std::exp(24.0 / 301.24) * std::pow(301.24 / 300.0, 5.0);
diff --git a/test/unit/process/test_tunneling_rate_constant.cpp b/test/unit/process/test_tunneling_rate_constant.cpp
index 212f32c33..e83ee5af1 100644
--- a/test/unit/process/test_tunneling_rate_constant.cpp
+++ b/test/unit/process/test_tunneling_rate_constant.cpp
@@ -6,22 +6,22 @@
 
 TEST(TunnelingRateConstant, CalculateWithMinimalArugments)
 {
-  micm::State<micm::Matrix> state{ 0, 0, 1 };
-  state.conditions_[0].temperature_ = 301.24;  // [K]
-  std::vector<double>::const_iterator params = state.custom_rate_parameters_[0].begin();
+  micm::Conditions conditions {
+    .temperature_ = 301.24,  // [K]
+  };
   micm::TunnelingRateConstantParameters tunneling_params;
   micm::TunnelingRateConstant tunneling{ tunneling_params };
-  auto k = tunneling.calculate(state.conditions_[0], params);
+  auto k = tunneling.calculate(conditions);
   EXPECT_NEAR(k, 1.0, 1.0e-8);
 }
 
 TEST(TunnelingRateConstant, CalculateWithAllArugments)
 {
-  micm::State<micm::Matrix> state{ 0, 0, 1 };
   double temperature = 301.24;
-  state.conditions_[0].temperature_ = temperature;  // [K]
-  std::vector<double>::const_iterator params = state.custom_rate_parameters_[0].begin();
+  micm::Conditions conditions {
+    .temperature_ = temperature,  // [K]
+  };
   micm::TunnelingRateConstant tunneling{ micm::TunnelingRateConstantParameters{ .A_ = 1.2, .B_ = 2.3, .C_ = 302.3 } };
-  auto k = tunneling.calculate(state.conditions_[0], params);
+  auto k = tunneling.calculate(conditions);
   EXPECT_NEAR(k, 1.2 * std::exp(-2.3 / temperature) * std::exp(302.3 / std::pow(temperature, 3)), 1.0e-8);
 }
diff --git a/test/unit/process/test_user_defined_rate_constant.cpp b/test/unit/process/test_user_defined_rate_constant.cpp
index 9be644134..a92d9d641 100644
--- a/test/unit/process/test_user_defined_rate_constant.cpp
+++ b/test/unit/process/test_user_defined_rate_constant.cpp
@@ -6,8 +6,16 @@
 
 TEST(UserDefinedRateConstant, CalculateWithSystem)
 {
-  micm::State<micm::Matrix> state{ 0, 1, 1 };
+  auto state_parameters_ = micm::StateParameters{
+    .number_of_grid_cells_ = 1,
+    .number_of_rate_constants_ = 1,
+    .variable_names_ = {"user"},
+    .custom_rate_parameter_labels_ = { "my rate", },
+  };
+  
+  micm::State state{ state_parameters_ };
   state.custom_rate_parameters_[0][0] = 0.5;
+
   std::vector<double>::const_iterator params = state.custom_rate_parameters_[0].begin();
   micm::UserDefinedRateConstant photo{};
   auto k = photo.calculate(state.conditions_[0], params);
@@ -16,8 +24,16 @@ TEST(UserDefinedRateConstant, CalculateWithSystem)
 
 TEST(UserDefinedRateConstant, ConstructorWithRate)
 {
-  micm::State<micm::Matrix> state{ 0, 1, 1 };
+  auto state_parameters_ = micm::StateParameters{
+    .number_of_grid_cells_ = 1,
+    .number_of_rate_constants_ = 1,
+    .variable_names_ = {"user"},
+    .custom_rate_parameter_labels_ = { "my rate", },
+  };
+  
+  micm::State state{ state_parameters_ };
   state.custom_rate_parameters_[0][0] = 1.1;
+
   std::vector<double>::const_iterator params = state.custom_rate_parameters_[0].begin();
   micm::UserDefinedRateConstant photo{};
   auto k = photo.calculate(state.conditions_[0], params);
@@ -26,7 +42,14 @@ TEST(UserDefinedRateConstant, ConstructorWithRate)
 
 TEST(UserDefinedRateConstant, ConstructorWithRateAndName)
 {
-  micm::State<micm::Matrix> state{ 0, 1, 1 };
+  auto state_parameters_ = micm::StateParameters{
+    .number_of_grid_cells_ = 1,
+    .number_of_rate_constants_ = 1,
+    .variable_names_ = {"user"},
+    .custom_rate_parameter_labels_ = { "my rate", },
+  };
+  
+  micm::State state{ state_parameters_ };
   state.custom_rate_parameters_[0][0] = 1.1;
   std::vector<double>::const_iterator params = state.custom_rate_parameters_[0].begin();
   micm::UserDefinedRateConstant photo({ .label_ = "a name" });
diff --git a/test/unit/solver/test_jit_rosenbrock.cpp b/test/unit/solver/test_jit_rosenbrock.cpp
index 52b99ded3..9651df19c 100644
--- a/test/unit/solver/test_jit_rosenbrock.cpp
+++ b/test/unit/solver/test_jit_rosenbrock.cpp
@@ -59,7 +59,7 @@ void testAlphaMinusJacobian(std::shared_ptr<micm::JitCompiler> jit)
 {
   auto solver = getSolver<number_of_grid_cells, MatrixPolicy, SparseMatrixPolicy>(jit);
   // return;
-  auto jacobian = solver.jacobian_;
+  auto jacobian = solver.GetState().jacobian_;
 
   EXPECT_EQ(jacobian.size(), number_of_grid_cells);
   EXPECT_EQ(jacobian[0].size(), 5);
diff --git a/test/unit/solver/test_linear_solver_policy.hpp b/test/unit/solver/test_linear_solver_policy.hpp
index 522a426c6..8bdeca9b0 100644
--- a/test/unit/solver/test_linear_solver_policy.hpp
+++ b/test/unit/solver/test_linear_solver_policy.hpp
@@ -2,6 +2,7 @@
 
 #include <functional>
 #include <random>
+#include <micm/solver/lu_decomposition.hpp>
 
 template<typename T, template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
 void check_results(
@@ -84,8 +85,11 @@ void testDenseMatrix(const std::function<LinearSolverPolicy(const SparseMatrixPo
   b[0][2] = 9;
 
   LinearSolverPolicy solver = create_linear_solver(A, 1.0e-30);
-  solver.Factor(A);
-  solver.template Solve<MatrixPolicy>(b, x);
+  auto lu = micm::LuDecomposition::GetLUMatrices(A, 1.0e-30);
+  auto lower_matrix = std::move(lu.first);
+  auto upper_matrix = std::move(lu.second);
+  solver.Factor(A, lower_matrix, upper_matrix);
+  solver.template Solve<MatrixPolicy>(b, x, lower_matrix, upper_matrix);
   check_results<double, MatrixPolicy, SparseMatrixPolicy>(
       A, b, x, [&](const double a, const double b) -> void { EXPECT_NEAR(a, b, 1.0e-5); });
 }
@@ -119,8 +123,11 @@ void testRandomMatrix(
       b[i_block][i] = get_double();
 
   LinearSolverPolicy solver = create_linear_solver(A, 1.0e-30);
-  solver.Factor(A);
-  solver.template Solve<MatrixPolicy>(b, x);
+  auto lu = micm::LuDecomposition::GetLUMatrices(A, 1.0e-30);
+  auto lower_matrix = std::move(lu.first);
+  auto upper_matrix = std::move(lu.second);
+  solver.Factor(A, lower_matrix, upper_matrix);
+  solver.template Solve<MatrixPolicy>(b, x, lower_matrix, upper_matrix);
   check_results<double, MatrixPolicy, SparseMatrixPolicy>(
       A, b, x, [&](const double a, const double b) -> void { EXPECT_NEAR(a, b, 1.0e-5); });
 }
@@ -145,8 +152,11 @@ void testDiagonalMatrix(
       A[i_block][i][i] = get_double();
 
   LinearSolverPolicy solver = create_linear_solver(A, 1.0e-30);
-  solver.Factor(A);
-  solver.template Solve<MatrixPolicy>(b, x);
+  auto lu = micm::LuDecomposition::GetLUMatrices(A, 1.0e-30);
+  auto lower_matrix = std::move(lu.first);
+  auto upper_matrix = std::move(lu.second);
+  solver.Factor(A, lower_matrix, upper_matrix);
+  solver.template Solve<MatrixPolicy>(b, x, lower_matrix, upper_matrix);
   check_results<double, MatrixPolicy, SparseMatrixPolicy>(
       A, b, x, [&](const double a, const double b) -> void { EXPECT_NEAR(a, b, 1.0e-5); });
 }
diff --git a/test/unit/solver/test_rosenbrock.cpp b/test/unit/solver/test_rosenbrock.cpp
index 48b44ede2..c54fb0f1d 100644
--- a/test/unit/solver/test_rosenbrock.cpp
+++ b/test/unit/solver/test_rosenbrock.cpp
@@ -53,7 +53,7 @@ template<template<class> class MatrixPolicy, template<class> class SparseMatrixP
 void testAlphaMinusJacobian(std::size_t number_of_grid_cells)
 {
   auto solver = getSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(number_of_grid_cells);
-  auto jacobian = solver.jacobian_;
+  auto jacobian = solver.GetState().jacobian_;
 
   EXPECT_EQ(jacobian.size(), number_of_grid_cells);
   EXPECT_EQ(jacobian[0].size(), 5);
diff --git a/test/unit/solver/test_state.cpp b/test/unit/solver/test_state.cpp
index 053ea1bfd..db8217afd 100644
--- a/test/unit/solver/test_state.cpp
+++ b/test/unit/solver/test_state.cpp
@@ -4,10 +4,12 @@
 
 TEST(State, Constructor)
 {
-  micm::State<micm::Matrix> state{ micm::StateParameters{ .state_variable_names_{ "foo", "bar", "baz", "quz" },
-                                                          .custom_rate_parameter_labels_{ "quux", "corge" },
-                                                          .number_of_grid_cells_ = 3,
-                                                          .number_of_rate_constants_ = 10 } };
+  micm::State state{ micm::StateParameters{
+      .number_of_grid_cells_ = 3,
+      .number_of_rate_constants_ = 10,
+      .variable_names_{ "foo", "bar", "baz", "quz" },
+      .custom_rate_parameter_labels_{ "quux", "corge" },
+  } };
 
   EXPECT_EQ(state.conditions_.size(), 3);
   EXPECT_EQ(state.variable_map_["foo"], 0);
@@ -26,10 +28,12 @@ TEST(State, Constructor)
 
 TEST(State, SettingSingleConcentrationWithInvalidArgumentsThowsException)
 {
-  micm::State<micm::Matrix> state{ micm::StateParameters{ .state_variable_names_{ "foo", "bar", "baz", "quz" },
-                                                          .custom_rate_parameter_labels_{ "quux", "corge" },
-                                                          .number_of_grid_cells_ = 3,
-                                                          .number_of_rate_constants_ = 10 } };
+  micm::State state{ micm::StateParameters{
+      .number_of_grid_cells_ = 3,
+      .number_of_rate_constants_ = 10,
+      .variable_names_{ "foo", "bar", "baz", "quz" },
+      .custom_rate_parameter_labels_{ "quux", "corge" },
+  } };
   EXPECT_ANY_THROW(state.SetConcentration(micm::Species{ "foo" }, 1.0));
   EXPECT_ANY_THROW(state.SetConcentration(micm::Species{ "foo" }, std::vector<double>{ 1.0, 2.0 }));
   EXPECT_ANY_THROW(state.SetConcentration(micm::Species{ "not foo" }, 1.0));
@@ -39,20 +43,24 @@ TEST(State, SettingSingleConcentrationWithInvalidArgumentsThowsException)
 TEST(State, SetSingleConcentration)
 {
   {
-    micm::State<micm::Matrix> state{ micm::StateParameters{ .state_variable_names_{ "foo", "bar", "baz", "quz" },
-                                                            .custom_rate_parameter_labels_{ "quux", "corge" },
-                                                            .number_of_grid_cells_ = 3,
-                                                            .number_of_rate_constants_ = 10 } };
+    micm::State state{ micm::StateParameters{
+        .number_of_grid_cells_ = 3,
+        .number_of_rate_constants_ = 10,
+        .variable_names_{ "foo", "bar", "baz", "quz" },
+        .custom_rate_parameter_labels_{ "quux", "corge" },
+    } };
     std::vector<double> concentrations{ 12.0, 42.0, 35.2 };
     state.SetConcentration(micm::Species{ "bar" }, concentrations);
     for (std::size_t i = 0; i < concentrations.size(); ++i)
       EXPECT_EQ(state.variables_[i][state.variable_map_["bar"]], concentrations[i]);
   }
   {
-    micm::State<micm::Matrix> state{ micm::StateParameters{ .state_variable_names_{ "foo", "bar", "baz", "quz" },
-                                                            .custom_rate_parameter_labels_{ "quux", "corge" },
-                                                            .number_of_grid_cells_ = 1,
-                                                            .number_of_rate_constants_ = 10 } };
+    micm::State state{ micm::StateParameters{
+        .number_of_grid_cells_ = 1,
+        .number_of_rate_constants_ = 10,
+        .variable_names_{ "foo", "bar", "baz", "quz" },
+        .custom_rate_parameter_labels_{ "quux", "corge" },
+    } };
     state.SetConcentration(micm::Species{ "bar" }, 324.2);
     EXPECT_EQ(state.variables_[0][state.variable_map_["bar"]], 324.2);
   }
@@ -60,10 +68,12 @@ TEST(State, SetSingleConcentration)
 
 TEST(State, SettingConcentrationsWithInvalidArguementsThrowsException)
 {
-  micm::State<micm::Matrix> state{ micm::StateParameters{ .state_variable_names_{ "foo", "bar", "baz", "quz" },
-                                                          .custom_rate_parameter_labels_{ "quux", "corge" },
-                                                          .number_of_grid_cells_ = 3,
-                                                          .number_of_rate_constants_ = 10 } };
+  micm::State state{ micm::StateParameters{
+      .number_of_grid_cells_ = 3,
+      .number_of_rate_constants_ = 10,
+      .variable_names_{ "foo", "bar", "baz", "quz" },
+      .custom_rate_parameter_labels_{ "quux", "corge" },
+  } };
 
   std::unordered_map<std::string, std::vector<double>> concentrations = {
     { "FUU", { 0.1 } }, { "bar", { 0.2 } }, { "baz", { 0.3 } }, { "quz", { 0.4 } }
@@ -77,10 +87,12 @@ TEST(State, SetConcentrations)
   uint32_t num_grid_cells = 3;
   uint32_t num_species = 4;
 
-  micm::State<micm::Matrix> state{ micm::StateParameters{ .state_variable_names_{ "foo", "bar", "baz", "quz" },
-                                                          .custom_rate_parameter_labels_{ "quux", "corge" },
-                                                          .number_of_grid_cells_ = num_grid_cells,
-                                                          .number_of_rate_constants_ = 10 } };
+  micm::State state{ micm::StateParameters{
+      .number_of_grid_cells_ = num_grid_cells,
+      .number_of_rate_constants_ = 10,
+      .variable_names_{ "foo", "bar", "baz", "quz" },
+      .custom_rate_parameter_labels_{ "quux", "corge" },
+  } };
 
   std::unordered_map<std::string, std::vector<double>> concentrations = { { "bar", { 0.2, 0.22, 0.222 } },
                                                                           { "baz", { 0.3, 0.33, 0.333 } },
@@ -106,10 +118,12 @@ TEST(State, SetConcentrations)
 
 TEST(State, SettingCustomRateParameterWithInvalidVectorSizeThrowsException)
 {
-  micm::State<micm::Matrix> state{ micm::StateParameters{ .state_variable_names_{ "foo", "bar", "baz", "quz" },
-                                                          .custom_rate_parameter_labels_{ "O1", "O2", "O3", "AAA", "BBB" },
-                                                          .number_of_grid_cells_ = 3,
-                                                          .number_of_rate_constants_ = 10 } };
+  micm::State state{ micm::StateParameters{
+      .number_of_grid_cells_ = 3,
+      .number_of_rate_constants_ = 10,
+      .variable_names_{ "foo", "bar", "baz", "quz" },
+      .custom_rate_parameter_labels_{ "O1", "O2", "O3", "AAA", "BBB" },
+  } };
 
   // user input for custom rate parameters (unordered)
   std::unordered_map<std::string, std::vector<double>> custom_params = {
@@ -121,10 +135,12 @@ TEST(State, SettingCustomRateParameterWithInvalidVectorSizeThrowsException)
 
 TEST(State, SettingCustomRateParameterWithInvalidLabelThrowsException)
 {
-  micm::State<micm::Matrix> state{ micm::StateParameters{ .state_variable_names_{ "foo", "bar", "baz", "quz" },
-                                                          .custom_rate_parameter_labels_{ "O1", "O2", "O3", "AAA", "BBB" },
-                                                          .number_of_grid_cells_ = 1,
-                                                          .number_of_rate_constants_ = 10 } };
+  micm::State state{ micm::StateParameters{
+      .number_of_grid_cells_ = 1,
+      .number_of_rate_constants_ = 10,
+      .variable_names_{ "foo", "bar", "baz", "quz" },
+      .custom_rate_parameter_labels_{ "O1", "O2", "O3", "AAA", "BBB" },
+  } };
 
   // user input for custom rate parameters (unordered)
   std::unordered_map<std::string, std::vector<double>> custom_params = {
@@ -136,10 +152,12 @@ TEST(State, SettingCustomRateParameterWithInvalidLabelThrowsException)
 
 TEST(State, SetCustomRateParameter)
 {
-  micm::State<micm::Matrix> state{ micm::StateParameters{ .state_variable_names_{ "foo", "bar", "baz", "quz" },
-                                                          .custom_rate_parameter_labels_{ "O1", "O2", "O3", "AAA", "BBB" },
-                                                          .number_of_grid_cells_ = 1,
-                                                          .number_of_rate_constants_ = 10 } };
+  micm::State state{ micm::StateParameters{
+      .number_of_grid_cells_ = 1,
+      .number_of_rate_constants_ = 10,
+      .variable_names_{ "foo", "bar", "baz", "quz" },
+      .custom_rate_parameter_labels_{ "O1", "O2", "O3", "AAA", "BBB" },
+  } };
 
   state.SetCustomRateParameter("O2", 42.3);
   EXPECT_EQ(state.custom_rate_parameters_[0][1], 42.3);
@@ -149,10 +167,12 @@ TEST(State, SetCustomRateParameters)
 {
   uint32_t num_grid_cells = 3;
 
-  micm::State<micm::Matrix> state{ micm::StateParameters{ .state_variable_names_{ "foo", "bar", "baz", "quz" },
-                                                          .custom_rate_parameter_labels_{ "O1", "O2", "O3", "AAA", "BBB" },
-                                                          .number_of_grid_cells_ = num_grid_cells,
-                                                          .number_of_rate_constants_ = 10 } };
+  micm::State state{ micm::StateParameters{
+      .number_of_grid_cells_ = num_grid_cells,
+      .number_of_rate_constants_ = 10,
+      .variable_names_{ "foo", "bar", "baz", "quz" },
+      .custom_rate_parameter_labels_{ "O1", "O2", "O3", "AAA", "BBB" },
+  } };
 
   // user input for custom rate parameters (unordered)
   std::unordered_map<std::string, std::vector<double>> custom_params = { { "O3", { 0.3, 0.33, 0.333 } },
diff --git a/test/unit/util/test_matrix_policy.hpp b/test/unit/util/test_matrix_policy.hpp
index f9ca8dd5e..1ee20861c 100644
--- a/test/unit/util/test_matrix_policy.hpp
+++ b/test/unit/util/test_matrix_policy.hpp
@@ -170,7 +170,7 @@ MatrixPolicy<double> testConversionFromVector()
   std::vector<std::vector<int>> bad_vector = { { 3 }, { 4, 5 }, { 5 } };
 
   MatrixPolicy<int> bad_matrix;
-  EXPECT_DEATH(bad_matrix = bad_vector, "Invalid vector for matrix assignment");
+  EXPECT_ANY_THROW(bad_matrix = bad_vector);
 
   return matrix;
 }
@@ -199,7 +199,7 @@ MatrixPolicy<double> testAssignmentFromVector()
   EXPECT_EQ(matrix[2][2], 65.7);
   EXPECT_EQ(matrix[3][0], 0.0);
 
-  EXPECT_DEATH(matrix[2] = small_other, "Matrix row size mismatch in assignment from vector");
+  EXPECT_ANY_THROW(matrix[2] = small_other);
 
   return matrix;
 }

From ff54209d80fddf18623ca07552da5699fe6022e1 Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Fri, 27 Oct 2023 14:59:10 -0700
Subject: [PATCH 206/318] Auto-format code changes (#334)

Auto-format code using Clang-Format

Co-authored-by: GitHub Actions <actions@github.com>
---
 include/micm/process/cuda_process_set.hpp     |  6 +++--
 include/micm/process/jit_process_set.hpp      |  4 +--
 include/micm/process/process_set.hpp          |  4 ++-
 .../micm/process/surface_rate_constant.hpp    |  6 ++---
 .../process/user_defined_rate_constant.hpp    |  3 ++-
 include/micm/solver/cuda_lu_decomposition.hpp |  2 +-
 include/micm/solver/linear_solver.hpp         | 25 +++++++++++++------
 include/micm/solver/rosenbrock.hpp            | 14 ++++++++---
 .../solver/rosenbrock_solver_parameters.hpp   |  5 ++--
 test/integration/e5.hpp                       |  4 ++-
 test/integration/hires.hpp                    |  4 ++-
 test/integration/oregonator.hpp               |  4 ++-
 .../RosenbrockChapman/chapman_ode_solver.hpp  |  2 +-
 test/tutorial/test_solver_configuration.cpp   |  1 -
 test/unit/openmp/test_openmp.cpp              |  6 +++--
 test/unit/openmp/test_openmp_jit_solver.cpp   | 18 +++++--------
 test/unit/process/test_process.cpp            | 11 ++++----
 test/unit/process/test_process_set.cpp        | 24 ++++++++++++------
 test/unit/process/test_process_set_policy.hpp | 14 ++++++-----
 .../process/test_surface_rate_constant.cpp    |  8 +++---
 ...nary_chemical_activation_rate_constant.cpp | 10 ++++----
 test/unit/process/test_troe_rate_constant.cpp | 14 +++++------
 .../process/test_tunneling_rate_constant.cpp  |  4 +--
 .../test_user_defined_rate_constant.cpp       |  6 ++---
 .../unit/solver/test_linear_solver_policy.hpp |  2 +-
 25 files changed, 117 insertions(+), 84 deletions(-)

diff --git a/include/micm/process/cuda_process_set.hpp b/include/micm/process/cuda_process_set.hpp
index 31b3d580a..39e8e5c08 100644
--- a/include/micm/process/cuda_process_set.hpp
+++ b/include/micm/process/cuda_process_set.hpp
@@ -3,9 +3,9 @@
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
 
+#include <micm/process/cuda_process_set.cuh>
 #include <micm/process/process_set.hpp>
 #include <micm/util/cuda_param.hpp>
-#include <micm/process/cuda_process_set.cuh>
 
 namespace micm
 {
@@ -34,7 +34,9 @@ namespace micm
     const;
   };
 
-  inline CudaProcessSet::CudaProcessSet(const std::vector<Process>& processes, const std::map<std::string, std::size_t>& variable_map)
+  inline CudaProcessSet::CudaProcessSet(
+      const std::vector<Process>& processes,
+      const std::map<std::string, std::size_t>& variable_map)
       : ProcessSet(processes, variable_map)
   {
   }
diff --git a/include/micm/process/jit_process_set.hpp b/include/micm/process/jit_process_set.hpp
index 077de39df..539389f8b 100644
--- a/include/micm/process/jit_process_set.hpp
+++ b/include/micm/process/jit_process_set.hpp
@@ -36,7 +36,7 @@ namespace micm
     JitProcessSet(
         std::shared_ptr<JitCompiler> compiler,
         const std::vector<Process> &processes,
-        const std::map<std::string, std::size_t>& variable_map);
+        const std::map<std::string, std::size_t> &variable_map);
 
     ~JitProcessSet();
 
@@ -105,7 +105,7 @@ namespace micm
   inline JitProcessSet<L>::JitProcessSet(
       std::shared_ptr<JitCompiler> compiler,
       const std::vector<Process> &processes,
-      const std::map<std::string, std::size_t>& variable_map)
+      const std::map<std::string, std::size_t> &variable_map)
       : ProcessSet(processes, variable_map),
         compiler_(compiler)
   {
diff --git a/include/micm/process/process_set.hpp b/include/micm/process/process_set.hpp
index f7836f7c6..ff3b0c0a6 100644
--- a/include/micm/process/process_set.hpp
+++ b/include/micm/process/process_set.hpp
@@ -73,7 +73,9 @@ namespace micm
         SparseMatrixPolicy<double>& jacobian) const;
   };
 
-  inline ProcessSet::ProcessSet(const std::vector<Process>& processes, const std::map<std::string, std::size_t>& variable_map)
+  inline ProcessSet::ProcessSet(
+      const std::vector<Process>& processes,
+      const std::map<std::string, std::size_t>& variable_map)
       : number_of_reactants_(),
         reactant_ids_(),
         number_of_products_(),
diff --git a/include/micm/process/surface_rate_constant.hpp b/include/micm/process/surface_rate_constant.hpp
index e72cb477e..714b7fbd7 100644
--- a/include/micm/process/surface_rate_constant.hpp
+++ b/include/micm/process/surface_rate_constant.hpp
@@ -75,10 +75,10 @@ namespace micm
     return std::unique_ptr<RateConstant>{ new SurfaceRateConstant{ *this } };
   }
 
-  inline double SurfaceRateConstant::calculate(
-      const Conditions& conditions) const
+  inline double SurfaceRateConstant::calculate(const Conditions& conditions) const
   {
-    throw std::runtime_error("Surface rate constants must be supplied with a radius and number density using the alternative calculate function");
+    throw std::runtime_error(
+        "Surface rate constants must be supplied with a radius and number density using the alternative calculate function");
   }
 
   inline double SurfaceRateConstant::calculate(
diff --git a/include/micm/process/user_defined_rate_constant.hpp b/include/micm/process/user_defined_rate_constant.hpp
index 68f48cd38..02130da45 100644
--- a/include/micm/process/user_defined_rate_constant.hpp
+++ b/include/micm/process/user_defined_rate_constant.hpp
@@ -67,7 +67,8 @@ namespace micm
 
   inline double UserDefinedRateConstant::calculate(const Conditions& conditions) const
   {
-    throw std::runtime_error("User defined rate constants must be supplied with custom rate parameters using the alternative calculate function");
+    throw std::runtime_error(
+        "User defined rate constants must be supplied with custom rate parameters using the alternative calculate function");
   }
 
   inline double UserDefinedRateConstant::calculate(
diff --git a/include/micm/solver/cuda_lu_decomposition.hpp b/include/micm/solver/cuda_lu_decomposition.hpp
index 85aca2a75..118a64fe7 100644
--- a/include/micm/solver/cuda_lu_decomposition.hpp
+++ b/include/micm/solver/cuda_lu_decomposition.hpp
@@ -4,10 +4,10 @@
 #pragma once
 
 #include <chrono>
+#include <micm/solver/cuda_lu_decomposition.cuh>
 #include <micm/solver/lu_decomposition.hpp>
 #include <micm/util/cuda_param.hpp>
 #include <stdexcept>
-#include <micm/solver/cuda_lu_decomposition.cuh>
 
 namespace micm
 {
diff --git a/include/micm/solver/linear_solver.hpp b/include/micm/solver/linear_solver.hpp
index 44569dc2a..9af334502 100644
--- a/include/micm/solver/linear_solver.hpp
+++ b/include/micm/solver/linear_solver.hpp
@@ -69,20 +69,31 @@ namespace micm
         const std::function<LuDecompositionPolicy(const SparseMatrixPolicy<T>&)> create_lu_decomp);
 
     /// @brief Decompose the matrix into upper and lower triangular matrices
-    void Factor(const SparseMatrixPolicy<T>& matrix, SparseMatrixPolicy<T>& lower_matrix, SparseMatrixPolicy<T>& upper_matrix);
-    
+    void
+    Factor(const SparseMatrixPolicy<T>& matrix, SparseMatrixPolicy<T>& lower_matrix, SparseMatrixPolicy<T>& upper_matrix);
+
     /// @brief Decompose the matrix into upper and lower triangular matrices
     /// @param matrix Matrix to decompose into lower and upper triangular matrices
     /// @param is_singular Flag that is set to true if matrix is singular; false otherwise
-    void Factor(const SparseMatrixPolicy<T>& matrix, SparseMatrixPolicy<T>& lower_matrix, SparseMatrixPolicy<T>& upper_matrix, bool& is_singular);
+    void Factor(
+        const SparseMatrixPolicy<T>& matrix,
+        SparseMatrixPolicy<T>& lower_matrix,
+        SparseMatrixPolicy<T>& upper_matrix,
+        bool& is_singular);
 
     /// @brief Solve for x in Ax = b
     template<template<class> class MatrixPolicy>
-      requires(!VectorizableDense<MatrixPolicy<T>> || !VectorizableSparse<SparseMatrixPolicy<T>>)
-    void Solve(const MatrixPolicy<T>& b, MatrixPolicy<T>& x, SparseMatrixPolicy<T>& lower_matrix, SparseMatrixPolicy<T>& upper_matrix);
+    requires(!VectorizableDense<MatrixPolicy<T>> || !VectorizableSparse<SparseMatrixPolicy<T>>) void Solve(
+        const MatrixPolicy<T>& b,
+        MatrixPolicy<T>& x,
+        SparseMatrixPolicy<T>& lower_matrix,
+        SparseMatrixPolicy<T>& upper_matrix);
     template<template<class> class MatrixPolicy>
-      requires(VectorizableDense<MatrixPolicy<T>> && VectorizableSparse<SparseMatrixPolicy<T>>)
-    void Solve(const MatrixPolicy<T>& b, MatrixPolicy<T>& x, SparseMatrixPolicy<T>& lower_matrix, SparseMatrixPolicy<T>& upper_matrix); 
+    requires(VectorizableDense<MatrixPolicy<T>>&& VectorizableSparse<SparseMatrixPolicy<T>>) void Solve(
+        const MatrixPolicy<T>& b,
+        MatrixPolicy<T>& x,
+        SparseMatrixPolicy<T>& lower_matrix,
+        SparseMatrixPolicy<T>& upper_matrix);
   };
 
 }  // namespace micm
diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index e78ed639e..4c8b1037b 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -26,8 +26,8 @@
 #include <micm/process/process.hpp>
 #include <micm/process/process_set.hpp>
 #include <micm/solver/linear_solver.hpp>
-#include <micm/solver/state.hpp>
 #include <micm/solver/rosenbrock_solver_parameters.hpp>
+#include <micm/solver/state.hpp>
 #include <micm/system/system.hpp>
 #include <micm/util/jacobian.hpp>
 #include <micm/util/matrix.hpp>
@@ -75,7 +75,8 @@ namespace micm
     uint64_t decompositions{};
     /// @brief The number of linear solves
     uint64_t solves{};
-    /// @brief The number of times a singular matrix is detected. For now, this will always be zero as we assume the matrix is never singular
+    /// @brief The number of times a singular matrix is detected. For now, this will always be zero as we assume the matrix
+    /// is never singular
     uint64_t singular{};
     /// @brief The cumulative amount of time spent calculating the forcing function
     std::chrono::duration<double, std::nano> total_forcing_time{};
@@ -100,7 +101,6 @@ namespace micm
   class RosenbrockSolver
   {
    public:
-
     struct [[nodiscard]] SolverResult
     {
       /// @brief The new state computed by the solver
@@ -193,7 +193,13 @@ namespace micm
     /// @param singular indicates if the matrix is singular
     /// @param number_densities constituent concentration (molec/cm^3)
     /// @param rate_constants Rate constants for each process (molecule/cm3)^(n-1) s-1
-    void LinearFactor(double& H, const double gamma, bool& singular, const MatrixPolicy<double>& number_densities, SolverStats& stats, State<MatrixPolicy, SparseMatrixPolicy>& state);
+    void LinearFactor(
+        double& H,
+        const double gamma,
+        bool& singular,
+        const MatrixPolicy<double>& number_densities,
+        SolverStats& stats,
+        State<MatrixPolicy, SparseMatrixPolicy>& state);
 
    protected:
     /// @brief Computes the scaled norm of the vector errors
diff --git a/include/micm/solver/rosenbrock_solver_parameters.hpp b/include/micm/solver/rosenbrock_solver_parameters.hpp
index bfb4276fe..e492bb772 100644
--- a/include/micm/solver/rosenbrock_solver_parameters.hpp
+++ b/include/micm/solver/rosenbrock_solver_parameters.hpp
@@ -2,9 +2,9 @@
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
 
+#include <array>
 #include <cstddef>
 #include <iostream>
-#include <array>
 
 namespace micm
 {
@@ -458,5 +458,4 @@ namespace micm
     return parameters;
   }
 
-
-}
\ No newline at end of file
+}  // namespace micm
\ No newline at end of file
diff --git a/test/integration/e5.hpp b/test/integration/e5.hpp
index f5763df1e..f4118ba72 100644
--- a/test/integration/e5.hpp
+++ b/test/integration/e5.hpp
@@ -64,7 +64,9 @@ class E5 : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, Linea
     auto state = micm::State<MatrixPolicy, SparseMatrixPolicy>{ this->state_parameters_ };
 
     state.jacobian_ = micm::build_jacobian<SparseMatrixPolicy>(
-        nonzero_jacobian_elements_, this->state_parameters_.number_of_grid_cells_, this->state_parameters_.variable_names_.size());
+        nonzero_jacobian_elements_,
+        this->state_parameters_.number_of_grid_cells_,
+        this->state_parameters_.variable_names_.size());
 
     auto lu = micm::LuDecomposition::GetLUMatrices(state.jacobian_, 1.0e-30);
     auto lower_matrix = std::move(lu.first);
diff --git a/test/integration/hires.hpp b/test/integration/hires.hpp
index 0c39a896f..527696c44 100644
--- a/test/integration/hires.hpp
+++ b/test/integration/hires.hpp
@@ -65,7 +65,9 @@ class HIRES : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, Li
     auto state = micm::State<MatrixPolicy, SparseMatrixPolicy>{ this->state_parameters_ };
 
     state.jacobian_ = micm::build_jacobian<SparseMatrixPolicy>(
-        nonzero_jacobian_elements_, this->state_parameters_.number_of_grid_cells_, this->state_parameters_.variable_names_.size());
+        nonzero_jacobian_elements_,
+        this->state_parameters_.number_of_grid_cells_,
+        this->state_parameters_.variable_names_.size());
 
     auto lu = micm::LuDecomposition::GetLUMatrices(state.jacobian_, 1.0e-30);
     auto lower_matrix = std::move(lu.first);
diff --git a/test/integration/oregonator.hpp b/test/integration/oregonator.hpp
index 6c457c282..c1bae4742 100644
--- a/test/integration/oregonator.hpp
+++ b/test/integration/oregonator.hpp
@@ -65,7 +65,9 @@ class Oregonator : public micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolic
     auto state = micm::State<MatrixPolicy, SparseMatrixPolicy>{ this->state_parameters_ };
 
     state.jacobian_ = micm::build_jacobian<SparseMatrixPolicy>(
-        nonzero_jacobian_elements_, this->state_parameters_.number_of_grid_cells_, this->state_parameters_.variable_names_.size());
+        nonzero_jacobian_elements_,
+        this->state_parameters_.number_of_grid_cells_,
+        this->state_parameters_.variable_names_.size());
 
     auto lu = micm::LuDecomposition::GetLUMatrices(state.jacobian_, 1.0e-30);
     auto lower_matrix = std::move(lu.first);
diff --git a/test/regression/RosenbrockChapman/chapman_ode_solver.hpp b/test/regression/RosenbrockChapman/chapman_ode_solver.hpp
index 917710fc8..cd2f20eda 100644
--- a/test/regression/RosenbrockChapman/chapman_ode_solver.hpp
+++ b/test/regression/RosenbrockChapman/chapman_ode_solver.hpp
@@ -311,7 +311,7 @@ namespace micm
       .variable_names_ = species_names(),
       .custom_rate_parameter_labels_ = photolysis_names(),
     };
-    
+
     return micm::State{ state_parameters };
   }
 
diff --git a/test/tutorial/test_solver_configuration.cpp b/test/tutorial/test_solver_configuration.cpp
index 16616c400..5e45635d3 100644
--- a/test/tutorial/test_solver_configuration.cpp
+++ b/test/tutorial/test_solver_configuration.cpp
@@ -61,7 +61,6 @@ void test_solver_type(T solver)
   SolverStats total_stats;
   std::chrono::duration<double, std::nano> total_solve_time = std::chrono::nanoseconds::zero();
 
-
   // solve for ten iterations
   for (int i = 0; i < 10; ++i)
   {
diff --git a/test/unit/openmp/test_openmp.cpp b/test/unit/openmp/test_openmp.cpp
index 575c12a24..313809bfa 100644
--- a/test/unit/openmp/test_openmp.cpp
+++ b/test/unit/openmp/test_openmp.cpp
@@ -39,8 +39,10 @@ TEST(OpenMP, OneSolverManyStates)
   }
 
   // compare each thread to thread 1
-  for (int i = 1; i < n_threads; ++i) {
-    for (int j = 0; j < results[0].size(); ++j) {
+  for (int i = 1; i < n_threads; ++i)
+  {
+    for (int j = 0; j < results[0].size(); ++j)
+    {
       EXPECT_EQ(results[0][j], results[i][j]);
     }
   }
diff --git a/test/unit/openmp/test_openmp_jit_solver.cpp b/test/unit/openmp/test_openmp_jit_solver.cpp
index 5e43588a1..0044cea35 100644
--- a/test/unit/openmp/test_openmp_jit_solver.cpp
+++ b/test/unit/openmp/test_openmp_jit_solver.cpp
@@ -36,16 +36,8 @@ TEST(OpenMP, JITOneSolverManyStates)
   std::vector<std::vector<double>> results(n_threads);
 
   auto jit{ micm::JitCompiler::create() };
-  JitRosenbrockSolver<
-    Group1VectorMatrix, 
-    Group1SparseVectorMatrix, 
-    JitLinearSolver<1, Group1SparseVectorMatrix>
-    > solver(
-      jit.get(), 
-      chemical_system, 
-      reactions, 
-      RosenbrockSolverParameters::three_stage_rosenbrock_parameters() 
-    );
+  JitRosenbrockSolver<Group1VectorMatrix, Group1SparseVectorMatrix, JitLinearSolver<1, Group1SparseVectorMatrix>> solver(
+      jit.get(), chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters());
 
 #pragma omp parallel num_threads(n_threads)
   {
@@ -56,8 +48,10 @@ TEST(OpenMP, JITOneSolverManyStates)
   }
 
   // compare each thread to thread 1
-  for (int i = 1; i < n_threads; ++i) {
-    for (int j = 0; j < results[0].size(); ++j) {
+  for (int i = 1; i < n_threads; ++i)
+  {
+    for (int j = 0; j < results[0].size(); ++j)
+    {
       EXPECT_EQ(results[0][j], results[i][j]);
     }
   }
diff --git a/test/unit/process/test_process.cpp b/test/unit/process/test_process.cpp
index aa8ed0be5..2088a47ea 100644
--- a/test/unit/process/test_process.cpp
+++ b/test/unit/process/test_process.cpp
@@ -30,11 +30,12 @@ void testProcessUpdateState(const std::size_t number_of_grid_cells)
   for (const auto& process : processes)
     for (auto& label : process.rate_constant_->CustomParameters())
       param_labels.push_back(label);
-  micm::State<MatrixPolicy> state{ micm::StateParameters{ .number_of_grid_cells_ = number_of_grid_cells,
-                                                          .number_of_rate_constants_ = processes.size(),
-                                                          .variable_names_ = { "foo", "bar'" },
-                                                          .custom_rate_parameter_labels_ = param_labels,
-                                                          } };
+  micm::State<MatrixPolicy> state{ micm::StateParameters{
+      .number_of_grid_cells_ = number_of_grid_cells,
+      .number_of_rate_constants_ = processes.size(),
+      .variable_names_ = { "foo", "bar'" },
+      .custom_rate_parameter_labels_ = param_labels,
+  } };
 
   MatrixPolicy<double> expected_rate_constants(number_of_grid_cells, 3, 0.0);
   std::vector<double> params = { 0.0, 0.0, 0.0 };
diff --git a/test/unit/process/test_process_set.cpp b/test/unit/process/test_process_set.cpp
index ba7a51d85..d181090f9 100644
--- a/test/unit/process/test_process_set.cpp
+++ b/test/unit/process/test_process_set.cpp
@@ -34,7 +34,8 @@ using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorO
 TEST(ProcessSet, Matrix)
 {
   testProcessSet<micm::Matrix, SparseMatrixTest, micm::ProcessSet>(
-      [](const std::vector<micm::Process>& processes, const micm::State<micm::Matrix, SparseMatrixTest>& state) -> micm::ProcessSet {
+      [](const std::vector<micm::Process>& processes,
+         const micm::State<micm::Matrix, SparseMatrixTest>& state) -> micm::ProcessSet {
         return micm::ProcessSet{ processes, state.variable_map_ };
       });
 }
@@ -42,19 +43,23 @@ TEST(ProcessSet, Matrix)
 TEST(ProcessSet, VectorMatrix)
 {
   testProcessSet<Group1VectorMatrix, Group1SparseVectorMatrix, micm::ProcessSet>(
-      [](const std::vector<micm::Process>& processes, const micm::State<Group1VectorMatrix, Group1SparseVectorMatrix>& state) -> micm::ProcessSet {
+      [](const std::vector<micm::Process>& processes,
+         const micm::State<Group1VectorMatrix, Group1SparseVectorMatrix>& state) -> micm::ProcessSet {
         return micm::ProcessSet{ processes, state.variable_map_ };
       });
   testProcessSet<Group2VectorMatrix, Group2SparseVectorMatrix, micm::ProcessSet>(
-      [](const std::vector<micm::Process>& processes, const micm::State<Group2VectorMatrix, Group2SparseVectorMatrix>& state) -> micm::ProcessSet {
+      [](const std::vector<micm::Process>& processes,
+         const micm::State<Group2VectorMatrix, Group2SparseVectorMatrix>& state) -> micm::ProcessSet {
         return micm::ProcessSet{ processes, state.variable_map_ };
       });
   testProcessSet<Group3VectorMatrix, Group3SparseVectorMatrix, micm::ProcessSet>(
-      [](const std::vector<micm::Process>& processes, const micm::State<Group3VectorMatrix, Group3SparseVectorMatrix>& state) -> micm::ProcessSet {
+      [](const std::vector<micm::Process>& processes,
+         const micm::State<Group3VectorMatrix, Group3SparseVectorMatrix>& state) -> micm::ProcessSet {
         return micm::ProcessSet{ processes, state.variable_map_ };
       });
   testProcessSet<Group4VectorMatrix, Group4SparseVectorMatrix, micm::ProcessSet>(
-      [](const std::vector<micm::Process>& processes, const micm::State<Group4VectorMatrix, Group4SparseVectorMatrix>& state) -> micm::ProcessSet {
+      [](const std::vector<micm::Process>& processes,
+         const micm::State<Group4VectorMatrix, Group4SparseVectorMatrix>& state) -> micm::ProcessSet {
         return micm::ProcessSet{ processes, state.variable_map_ };
       });
 }
@@ -65,21 +70,24 @@ TEST(RandomProcessSet, Matrix)
       2000,
       500,
       400,
-      [](const std::vector<micm::Process>& processes, const micm::State<micm::Matrix, SparseMatrixTest>& state) -> micm::ProcessSet {
+      [](const std::vector<micm::Process>& processes,
+         const micm::State<micm::Matrix, SparseMatrixTest>& state) -> micm::ProcessSet {
         return micm::ProcessSet{ processes, state.variable_map_ };
       });
   testRandomSystem<micm::Matrix, SparseMatrixTest, micm::ProcessSet>(
       3000,
       300,
       200,
-      [](const std::vector<micm::Process>& processes, const micm::State<micm::Matrix, SparseMatrixTest>& state) -> micm::ProcessSet {
+      [](const std::vector<micm::Process>& processes,
+         const micm::State<micm::Matrix, SparseMatrixTest>& state) -> micm::ProcessSet {
         return micm::ProcessSet{ processes, state.variable_map_ };
       });
   testRandomSystem<micm::Matrix, SparseMatrixTest, micm::ProcessSet>(
       4000,
       100,
       80,
-      [](const std::vector<micm::Process>& processes, const micm::State<micm::Matrix, SparseMatrixTest>& state) -> micm::ProcessSet {
+      [](const std::vector<micm::Process>& processes,
+         const micm::State<micm::Matrix, SparseMatrixTest>& state) -> micm::ProcessSet {
         return micm::ProcessSet{ processes, state.variable_map_ };
       });
 }
\ No newline at end of file
diff --git a/test/unit/process/test_process_set_policy.hpp b/test/unit/process/test_process_set_policy.hpp
index e8609b605..f9d2fc66d 100644
--- a/test/unit/process/test_process_set_policy.hpp
+++ b/test/unit/process/test_process_set_policy.hpp
@@ -13,8 +13,9 @@ void compare_pair(const index_pair& a, const index_pair& b)
 }
 
 template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class ProcessSetPolicy>
-void testProcessSet(
-    const std::function<ProcessSetPolicy(const std::vector<micm::Process>&, const micm::State<MatrixPolicy, SparseMatrixPolicy>&)> create_set)
+void testProcessSet(const std::function<ProcessSetPolicy(
+                        const std::vector<micm::Process>&,
+                        const micm::State<MatrixPolicy, SparseMatrixPolicy>&)> create_set)
 {
   auto foo = micm::Species("foo");
   auto bar = micm::Species("bar");
@@ -26,9 +27,8 @@ void testProcessSet(
 
   micm::Phase gas_phase{ std::vector<micm::Species>{ foo, bar, qux, baz, quz, quuz } };
 
-  micm::State<MatrixPolicy, SparseMatrixPolicy> state(
-      micm::StateParameters{ .number_of_grid_cells_ = 2, .number_of_rate_constants_ = 3,
-      .variable_names_{ "foo", "bar", "baz", "quz", "quuz" }});
+  micm::State<MatrixPolicy, SparseMatrixPolicy> state(micm::StateParameters{
+      .number_of_grid_cells_ = 2, .number_of_rate_constants_ = 3, .variable_names_{ "foo", "bar", "baz", "quz", "quuz" } });
 
   micm::Process r1 =
       micm::Process::create().reactants({ foo, baz }).products({ yields(bar, 1), yields(quuz, 2.4) }).phase(gas_phase);
@@ -121,7 +121,9 @@ void testRandomSystem(
     std::size_t n_cells,
     std::size_t n_reactions,
     std::size_t n_species,
-    const std::function<ProcessSetPolicy(const std::vector<micm::Process>&, const micm::State<MatrixPolicy, SparseMatrixPolicy>&)> create_set)
+    const std::function<
+        ProcessSetPolicy(const std::vector<micm::Process>&, const micm::State<MatrixPolicy, SparseMatrixPolicy>&)>
+        create_set)
 {
   auto get_n_react = std::bind(std::uniform_int_distribution<>(0, 3), std::default_random_engine());
   auto get_n_product = std::bind(std::uniform_int_distribution<>(0, 10), std::default_random_engine());
diff --git a/test/unit/process/test_surface_rate_constant.cpp b/test/unit/process/test_surface_rate_constant.cpp
index 5046cb7e1..3833f072c 100644
--- a/test/unit/process/test_surface_rate_constant.cpp
+++ b/test/unit/process/test_surface_rate_constant.cpp
@@ -11,10 +11,10 @@ TEST(SurfaceRateConstant, CalculateDefaultProbability)
   auto state_parameters_ = micm::StateParameters{
     .number_of_grid_cells_ = 1,
     .number_of_rate_constants_ = 1,
-    .variable_names_ = {"surface"},
+    .variable_names_ = { "surface" },
     .custom_rate_parameter_labels_ = { "effective radius [m]", "particle number concentration [# m-3]" },
   };
-  
+
   micm::State state{ state_parameters_ };
   state.custom_rate_parameters_[0][0] = 1.0e-7;  // effective radius [m]
   state.custom_rate_parameters_[0][1] = 2.5e6;   // particle concentration [# m-3]
@@ -36,10 +36,10 @@ TEST(SurfaceRateConstant, CalculateSpecifiedProbability)
   auto state_parameters_ = micm::StateParameters{
     .number_of_grid_cells_ = 1,
     .number_of_rate_constants_ = 1,
-    .variable_names_ = {"surface"},
+    .variable_names_ = { "surface" },
     .custom_rate_parameter_labels_ = { "effective radius [m]", "particle number concentration [# m-3]" },
   };
-  
+
   micm::State state{ state_parameters_ };
   state.custom_rate_parameters_[0][0] = 1.0e-7;  // effective radius [m]
   state.custom_rate_parameters_[0][1] = 2.5e6;   // particle concentration [# m-3]
diff --git a/test/unit/process/test_ternary_chemical_activation_rate_constant.cpp b/test/unit/process/test_ternary_chemical_activation_rate_constant.cpp
index 630ec135b..3210359f1 100644
--- a/test/unit/process/test_ternary_chemical_activation_rate_constant.cpp
+++ b/test/unit/process/test_ternary_chemical_activation_rate_constant.cpp
@@ -6,7 +6,7 @@
 
 TEST(TernaryChemicalActivationRateConstant, CalculateWithMinimalArugments)
 {
-  micm::Conditions conditions {
+  micm::Conditions conditions{
     .temperature_ = 301.24,  // [K]
     .air_density_ = 42.2,    // [mol mol-1]
   };
@@ -22,10 +22,10 @@ TEST(TernaryChemicalActivationRateConstant, CalculateWithMinimalArugments)
 
 TEST(TernaryChemicalActivationRateConstant, CalculateWithAllArugments)
 {
-  double temperature = 301.24; // [K]
-  micm::Conditions conditions {
-    .temperature_ = temperature,  
-    .air_density_ = 42.2,     // [mol mol-1]
+  double temperature = 301.24;  // [K]
+  micm::Conditions conditions{
+    .temperature_ = temperature,
+    .air_density_ = 42.2,  // [mol mol-1]
   };
   micm::TernaryChemicalActivationRateConstant ternary{ micm::TernaryChemicalActivationRateConstantParameters{
       .k0_A_ = 1.2,
diff --git a/test/unit/process/test_troe_rate_constant.cpp b/test/unit/process/test_troe_rate_constant.cpp
index 674631b8f..fbe5cc4e3 100644
--- a/test/unit/process/test_troe_rate_constant.cpp
+++ b/test/unit/process/test_troe_rate_constant.cpp
@@ -6,7 +6,7 @@
 
 TEST(TroeRateConstant, CalculateWithMinimalArugments)
 {
-  micm::Conditions conditions {
+  micm::Conditions conditions{
     .temperature_ = 301.24,  // [K]
     .air_density_ = 42.2,    // [mol mol-1]
   };
@@ -22,10 +22,10 @@ TEST(TroeRateConstant, CalculateWithMinimalArugments)
 
 TEST(TroeRateConstant, CalculateWithAllArugments)
 {
-  double temperature = 301.24; // [K]
-  micm::Conditions conditions {
-    .temperature_ = temperature,  
-    .air_density_ = 42.2,     // [mol mol-1]
+  double temperature = 301.24;  // [K]
+  micm::Conditions conditions{
+    .temperature_ = temperature,
+    .air_density_ = 42.2,  // [mol mol-1]
   };
   micm::TroeRateConstant troe{ micm::TroeRateConstantParameters{ .k0_A_ = 1.2,
                                                                  .k0_B_ = 2.3,
@@ -47,7 +47,7 @@ TEST(TroeRateConstant, CalculateWithAllArugments)
 TEST(TroeRateConstant, AnalyticalTroeExampleAB)
 {
   // based off of the troe rate constants in the analytical integration test:
-  micm::Conditions conditions {
+  micm::Conditions conditions{
     .temperature_ = 301.24,  // [K]
     .air_density_ = 42.2,    // [mol mol-1]
   };
@@ -69,7 +69,7 @@ TEST(TroeRateConstant, AnalyticalTroeExampleAB)
 TEST(TroeRateConstant, AnalyticalTroeExampleBC)
 {
   // based off of the troe rate constants in the analytical integration test:
-  micm::Conditions conditions {
+  micm::Conditions conditions{
     .temperature_ = 301.24,  // [K]
     .air_density_ = 42.2,    // [mol mol-1]
   };
diff --git a/test/unit/process/test_tunneling_rate_constant.cpp b/test/unit/process/test_tunneling_rate_constant.cpp
index e83ee5af1..8c77ce08a 100644
--- a/test/unit/process/test_tunneling_rate_constant.cpp
+++ b/test/unit/process/test_tunneling_rate_constant.cpp
@@ -6,7 +6,7 @@
 
 TEST(TunnelingRateConstant, CalculateWithMinimalArugments)
 {
-  micm::Conditions conditions {
+  micm::Conditions conditions{
     .temperature_ = 301.24,  // [K]
   };
   micm::TunnelingRateConstantParameters tunneling_params;
@@ -18,7 +18,7 @@ TEST(TunnelingRateConstant, CalculateWithMinimalArugments)
 TEST(TunnelingRateConstant, CalculateWithAllArugments)
 {
   double temperature = 301.24;
-  micm::Conditions conditions {
+  micm::Conditions conditions{
     .temperature_ = temperature,  // [K]
   };
   micm::TunnelingRateConstant tunneling{ micm::TunnelingRateConstantParameters{ .A_ = 1.2, .B_ = 2.3, .C_ = 302.3 } };
diff --git a/test/unit/process/test_user_defined_rate_constant.cpp b/test/unit/process/test_user_defined_rate_constant.cpp
index a92d9d641..50e30e26b 100644
--- a/test/unit/process/test_user_defined_rate_constant.cpp
+++ b/test/unit/process/test_user_defined_rate_constant.cpp
@@ -12,7 +12,7 @@ TEST(UserDefinedRateConstant, CalculateWithSystem)
     .variable_names_ = {"user"},
     .custom_rate_parameter_labels_ = { "my rate", },
   };
-  
+
   micm::State state{ state_parameters_ };
   state.custom_rate_parameters_[0][0] = 0.5;
 
@@ -30,7 +30,7 @@ TEST(UserDefinedRateConstant, ConstructorWithRate)
     .variable_names_ = {"user"},
     .custom_rate_parameter_labels_ = { "my rate", },
   };
-  
+
   micm::State state{ state_parameters_ };
   state.custom_rate_parameters_[0][0] = 1.1;
 
@@ -48,7 +48,7 @@ TEST(UserDefinedRateConstant, ConstructorWithRateAndName)
     .variable_names_ = {"user"},
     .custom_rate_parameter_labels_ = { "my rate", },
   };
-  
+
   micm::State state{ state_parameters_ };
   state.custom_rate_parameters_[0][0] = 1.1;
   std::vector<double>::const_iterator params = state.custom_rate_parameters_[0].begin();
diff --git a/test/unit/solver/test_linear_solver_policy.hpp b/test/unit/solver/test_linear_solver_policy.hpp
index 8bdeca9b0..b05e65c68 100644
--- a/test/unit/solver/test_linear_solver_policy.hpp
+++ b/test/unit/solver/test_linear_solver_policy.hpp
@@ -1,8 +1,8 @@
 #include <gtest/gtest.h>
 
 #include <functional>
-#include <random>
 #include <micm/solver/lu_decomposition.hpp>
+#include <random>
 
 template<typename T, template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
 void check_results(

From 644a5182680b232f2d89754c090de691f7535ee4 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Fri, 27 Oct 2023 16:18:54 -0700
Subject: [PATCH 207/318] use JitProcessSet with JitRosenbrockSolver

---
 include/micm/process/jit_process_set.hpp      |  2 +
 include/micm/solver/jit_rosenbrock.hpp        | 15 +++--
 include/micm/solver/rosenbrock.hpp            |  9 ++-
 include/micm/solver/rosenbrock.inl            | 66 ++++++++++---------
 .../integration/analytical_jit_rosenbrock.cpp |  3 +-
 test/integration/jit_terminator.cpp           |  9 ++-
 .../regression/RosenbrockChapman/jit_util.hpp | 30 ++++-----
 .../regression_test_jit_dforce_dy.cpp         |  3 +-
 .../regression_test_jit_p_force.cpp           |  6 +-
 .../regression_test_jit_solve.cpp             | 15 +++--
 test/unit/solver/test_jit_rosenbrock.cpp      | 13 ++--
 11 files changed, 100 insertions(+), 71 deletions(-)

diff --git a/include/micm/process/jit_process_set.hpp b/include/micm/process/jit_process_set.hpp
index 207dbc5d3..fdb21e226 100644
--- a/include/micm/process/jit_process_set.hpp
+++ b/include/micm/process/jit_process_set.hpp
@@ -30,6 +30,8 @@ namespace micm
     JitProcessSet(JitProcessSet &&);
     JitProcessSet &operator=(JitProcessSet &&);
 
+    JitProcessSet() = default;
+
     /// @brief Create a JITed process set calculator for a given set of processes
     /// @param compiler JIT compiler
     /// @param processes Processes to create calculator for
diff --git a/include/micm/solver/jit_rosenbrock.hpp b/include/micm/solver/jit_rosenbrock.hpp
index bc35cf3a0..a8a307f05 100644
--- a/include/micm/solver/jit_rosenbrock.hpp
+++ b/include/micm/solver/jit_rosenbrock.hpp
@@ -19,6 +19,7 @@
 #include <ctime>
 #include <micm/jit/jit_compiler.hpp>
 #include <micm/jit/jit_function.hpp>
+#include <micm/process/jit_process_set.hpp>
 #include <micm/solver/jit_linear_solver.hpp>
 #include <micm/solver/rosenbrock.hpp>
 #include <micm/util/random_string.hpp>
@@ -31,8 +32,9 @@ namespace micm
   template<
       template<class> class MatrixPolicy = VectorMatrix,
       template<class> class SparseMatrixPolicy = VectorSparseMatrix,
-      class LinearSolverPolicy = JitLinearSolver<DEFAULT_VECTOR_SIZE, SparseMatrixPolicy>>
-  class JitRosenbrockSolver : public RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
+      class LinearSolverPolicy = JitLinearSolver<DEFAULT_VECTOR_SIZE, SparseMatrixPolicy>,
+      class ProcessSetPolicy = JitProcessSet<DEFAULT_VECTOR_SIZE>>
+  class JitRosenbrockSolver : public RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>
   {
     std::shared_ptr<JitCompiler> compiler_;
     llvm::orc::ResourceTrackerSP function_resource_tracker_;
@@ -43,7 +45,7 @@ namespace micm
     JitRosenbrockSolver(const JitRosenbrockSolver&) = delete;
     JitRosenbrockSolver& operator=(const JitRosenbrockSolver&) = delete;
     JitRosenbrockSolver(JitRosenbrockSolver&& other)
-        : RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(std::move(other)),
+        : RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>(std::move(other)),
           compiler_(std::move(other.compiler_)),
           function_resource_tracker_(std::move(other.function_resource_tracker_)),
           alpha_minus_jacobian_(std::move(other.alpha_minus_jacobian_))
@@ -53,7 +55,7 @@ namespace micm
 
     JitRosenbrockSolver& operator=(JitRosenbrockSolver&& other)
     {
-      RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::operator=(std::move(other));
+      RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>::operator=(std::move(other));
       compiler_ = std::move(other.compiler_);
       function_resource_tracker_ = std::move(other.function_resource_tracker_);
       alpha_minus_jacobian_ = std::move(other.alpha_minus_jacobian_);
@@ -69,12 +71,15 @@ namespace micm
         const System& system,
         const std::vector<Process>& processes,
         const RosenbrockSolverParameters& parameters)
-        : RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
+        : RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>(
               system,
               processes,
               parameters,
               [&](const SparseMatrixPolicy<double>& matrix, double initial_value) -> LinearSolverPolicy {
                 return LinearSolverPolicy{ compiler, matrix, initial_value };
+              },
+              [&](const std::vector<Process>& processes, const std::map<std::string, std::size_t>& variable_map) -> ProcessSetPolicy {
+                return ProcessSetPolicy{ compiler, processes, variable_map };
               }),
           compiler_(compiler)
     {
diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index 4c8b1037b..a945a0774 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -97,7 +97,8 @@ namespace micm
   template<
       template<class> class MatrixPolicy = Matrix,
       template<class> class SparseMatrixPolicy = StandardSparseMatrix,
-      class LinearSolverPolicy = LinearSolver<double, SparseMatrixPolicy>>
+      class LinearSolverPolicy = LinearSolver<double, SparseMatrixPolicy>,
+      class ProcessSetPolicy = ProcessSet>
   class RosenbrockSolver
   {
    public:
@@ -116,7 +117,7 @@ namespace micm
     std::vector<Process> processes_;
     RosenbrockSolverParameters parameters_;
     StateParameters state_parameters_;
-    ProcessSet process_set_;
+    ProcessSetPolicy process_set_;
     LinearSolverPolicy linear_solver_;
 
     static constexpr double delta_min_ = 1.0e-6;
@@ -139,11 +140,13 @@ namespace micm
     /// @param processes The collection of chemical processes that will be applied during solving
     /// @param parameters Rosenbrock algorithm parameters
     /// @param create_linear_solver Function that will be used to create a linear solver instance
+    /// @param create_process_set Function that will be used to create a process set instance
     RosenbrockSolver(
         const System& system,
         const std::vector<Process>& processes,
         const RosenbrockSolverParameters& parameters,
-        const std::function<LinearSolverPolicy(const SparseMatrixPolicy<double>, double)> create_linear_solver);
+        const std::function<LinearSolverPolicy(const SparseMatrixPolicy<double>, double)> create_linear_solver,
+        const std::function<ProcessSetPolicy(const std::vector<Process>&, const std::map<std::string, std::size_t>&)> create_process_set);
 
     virtual ~RosenbrockSolver() = default;
 
diff --git a/include/micm/solver/rosenbrock.inl b/include/micm/solver/rosenbrock.inl
index ed9cb9342..fc4390e3a 100644
--- a/include/micm/solver/rosenbrock.inl
+++ b/include/micm/solver/rosenbrock.inl
@@ -52,8 +52,8 @@ namespace micm
     }
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-  inline RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::RosenbrockSolver()
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
+  inline RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>::RosenbrockSolver()
       : processes_(),
         parameters_(RosenbrockSolverParameters::three_stage_rosenbrock_parameters()),
         state_parameters_(),
@@ -62,8 +62,8 @@ namespace micm
   {
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-  inline RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::RosenbrockSolver(
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
+  inline RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>::RosenbrockSolver(
       const System& system,
       const std::vector<Process>& processes,
       const RosenbrockSolverParameters& parameters)
@@ -73,16 +73,20 @@ namespace micm
             parameters,
             [](const SparseMatrixPolicy<double>& matrix, double initial_value) -> LinearSolverPolicy {
               return LinearSolverPolicy{ matrix, initial_value };
+            },
+            [](const std::vector<Process>& processes, const std::map<std::string, std::size_t>& variable_map) -> ProcessSetPolicy {
+              return ProcessSetPolicy{ processes, variable_map };
             })
   {
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-  inline RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::RosenbrockSolver(
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
+  inline RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>::RosenbrockSolver(
       const System& system,
       const std::vector<Process>& processes,
       const RosenbrockSolverParameters& parameters,
-      const std::function<LinearSolverPolicy(const SparseMatrixPolicy<double>, double)> create_linear_solver)
+      const std::function<LinearSolverPolicy(const SparseMatrixPolicy<double>, double)> create_linear_solver,
+      const std::function<ProcessSetPolicy(const std::vector<Process>&, const std::map<std::string, std::size_t>&)> create_process_set)
       : processes_(processes),
         parameters_(parameters),
         state_parameters_(),
@@ -100,7 +104,7 @@ namespace micm
     if (parameters_.reorder_state_)
     {
       // get unsorted Jacobian non-zero elements
-      auto unsorted_process_set = ProcessSet(processes, variable_map);
+      auto unsorted_process_set = std::move(create_process_set(processes, variable_map));
       auto unsorted_jac_elements = unsorted_process_set.NonZeroJacobianElements();
       MatrixPolicy<int> unsorted_jac_non_zeros(system.StateSize(), system.StateSize(), 0);
       for (auto& elem : unsorted_jac_elements)
@@ -122,7 +126,7 @@ namespace micm
         for (auto& label : process.rate_constant_->CustomParameters())
           param_labels.push_back(label);
 
-    process_set_ = ProcessSet(processes, variable_map);
+    process_set_ = std::move(create_process_set(processes, variable_map));
 
     auto jacobian = build_jacobian<SparseMatrixPolicy>(
       process_set_.NonZeroJacobianElements(),
@@ -147,20 +151,20 @@ namespace micm
     linear_solver_ = std::move(create_linear_solver(jacobian, 1.0e-30));
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-  inline State<MatrixPolicy, SparseMatrixPolicy> RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::GetState() const
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
+  inline State<MatrixPolicy, SparseMatrixPolicy> RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>::GetState() const
   {
     return State<MatrixPolicy, SparseMatrixPolicy>{ state_parameters_ };   
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
   template<bool time_it>
-  inline typename RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::SolverResult
-  RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::Solve(
+  inline typename RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>::SolverResult
+  RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>::Solve(
       double time_step,
       State<MatrixPolicy, SparseMatrixPolicy>& state) noexcept
   {
-    typename RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::SolverResult result{};
+    typename RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>::SolverResult result{};
     result.state_ = SolverState::Running;
     MatrixPolicy<double> Y(state.variables_);
     MatrixPolicy<double> Ynew(Y.size(), Y[0].size(), 0.0);
@@ -335,18 +339,18 @@ namespace micm
     return result;
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::CalculateForcing(
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
+  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>::CalculateForcing(
       const MatrixPolicy<double>& rate_constants,
       const MatrixPolicy<double>& number_densities,
       MatrixPolicy<double>& forcing)
   {
     std::fill(forcing.AsVector().begin(), forcing.AsVector().end(), 0.0);
-    process_set_.AddForcingTerms<MatrixPolicy>(rate_constants, number_densities, forcing);
+    process_set_.template AddForcingTerms<MatrixPolicy>(rate_constants, number_densities, forcing);
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::AlphaMinusJacobian(
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
+  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>::AlphaMinusJacobian(
       SparseMatrixPolicy<double>& jacobian,
       const double& alpha) const
     requires(!VectorizableSparse<SparseMatrixPolicy<double>>)
@@ -361,8 +365,8 @@ namespace micm
     }
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::AlphaMinusJacobian(
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
+  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>::AlphaMinusJacobian(
       SparseMatrixPolicy<double>& jacobian,
       const double& alpha) const
     requires(VectorizableSparse<SparseMatrixPolicy<double>>)
@@ -379,24 +383,24 @@ namespace micm
     }
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::CalculateJacobian(
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
+  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>::CalculateJacobian(
       const MatrixPolicy<double>& rate_constants,
       const MatrixPolicy<double>& number_densities,
       SparseMatrixPolicy<double>& jacobian)
   {
     std::fill(jacobian.AsVector().begin(), jacobian.AsVector().end(), 0.0);
-    process_set_.AddJacobianTerms<MatrixPolicy, SparseMatrixPolicy>(rate_constants, number_densities, jacobian);
+    process_set_.template AddJacobianTerms<MatrixPolicy, SparseMatrixPolicy>(rate_constants, number_densities, jacobian);
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::UpdateState(State<MatrixPolicy, SparseMatrixPolicy>& state)
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
+  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>::UpdateState(State<MatrixPolicy, SparseMatrixPolicy>& state)
   {
     Process::UpdateState(processes_, state);
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::LinearFactor(
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
+  inline void RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>::LinearFactor(
       double& H,
       const double gamma,
       bool& singular,
@@ -429,8 +433,8 @@ namespace micm
     }
   }
 
-  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-  inline double RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>::NormalizedError(
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
+  inline double RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>::NormalizedError(
       const MatrixPolicy<double>& Y,
       const MatrixPolicy<double>& Ynew,
       const MatrixPolicy<double>& errors)
diff --git a/test/integration/analytical_jit_rosenbrock.cpp b/test/integration/analytical_jit_rosenbrock.cpp
index 547d74ec6..af14b137e 100644
--- a/test/integration/analytical_jit_rosenbrock.cpp
+++ b/test/integration/analytical_jit_rosenbrock.cpp
@@ -13,7 +13,8 @@ using DefaultSparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVector
 using DefaultJitRosenbrockSolver = micm::JitRosenbrockSolver<
     DefaultVectorMatrix,
     DefaultSparseVectorMatrix,
-    micm::JitLinearSolver<1, DefaultSparseVectorMatrix, micm::JitLuDecomposition<1>>>;
+    micm::JitLinearSolver<1, DefaultSparseVectorMatrix, micm::JitLuDecomposition<1>>,
+    micm::JitProcessSet<1>>;
 
 TEST(AnalyticalExamplesJitRosenbrock, Troe)
 {
diff --git a/test/integration/jit_terminator.cpp b/test/integration/jit_terminator.cpp
index 1499054fc..6032bc5b9 100644
--- a/test/integration/jit_terminator.cpp
+++ b/test/integration/jit_terminator.cpp
@@ -17,12 +17,14 @@ void RunTerminatorTest()
       micm::JitRosenbrockSolver<
           MatrixPolicy,
           SparseMatrixPolicy,
-          micm::JitLinearSolver<number_of_grid_cells, SparseMatrixPolicy>>>(
+          micm::JitLinearSolver<number_of_grid_cells, SparseMatrixPolicy>,
+          micm::JitProcessSet<number_of_grid_cells>>>(
       [&](const micm::System& s, const std::vector<micm::Process>& p)
           -> micm::JitRosenbrockSolver<
               MatrixPolicy,
               SparseMatrixPolicy,
-              micm::JitLinearSolver<number_of_grid_cells, SparseMatrixPolicy>>
+              micm::JitLinearSolver<number_of_grid_cells, SparseMatrixPolicy>,
+              micm::JitProcessSet<number_of_grid_cells>>
       {
         auto jit{ micm::JitCompiler::create() };
         if (auto err = jit.takeError())
@@ -37,7 +39,8 @@ void RunTerminatorTest()
         return micm::JitRosenbrockSolver<
             MatrixPolicy,
             SparseMatrixPolicy,
-            micm::JitLinearSolver<number_of_grid_cells, SparseMatrixPolicy>>{ jit.get(), s, p, solver_params };
+            micm::JitLinearSolver<number_of_grid_cells, SparseMatrixPolicy>,
+            micm::JitProcessSet<number_of_grid_cells>>{ jit.get(), s, p, solver_params };
       },
       number_of_grid_cells);
 }
diff --git a/test/regression/RosenbrockChapman/jit_util.hpp b/test/regression/RosenbrockChapman/jit_util.hpp
index 19c2d27c2..b1ed1770f 100644
--- a/test/regression/RosenbrockChapman/jit_util.hpp
+++ b/test/regression/RosenbrockChapman/jit_util.hpp
@@ -2,8 +2,8 @@
 
 #include "util.hpp"
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> getTwoStageMultiCellJitChapmanSolver(
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
+micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, ProcessSetPolicy> getTwoStageMultiCellJitChapmanSolver(
     const size_t number_of_grid_cells)
 {
   micm::Phase gas_phase = createGasPhase();
@@ -15,15 +15,15 @@ micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
     llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
     EXPECT_TRUE(false);
   }
-  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
+  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, ProcessSetPolicy>(
       jit.get(),
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
       micm::RosenbrockSolverParameters::two_stage_rosenbrock_parameters(number_of_grid_cells));
 }
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> getThreeStageMultiCellJitChapmanSolver(
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
+micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, ProcessSetPolicy> getThreeStageMultiCellJitChapmanSolver(
     const size_t number_of_grid_cells)
 {
   micm::Phase gas_phase = createGasPhase();
@@ -35,15 +35,15 @@ micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
     llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
     EXPECT_TRUE(false);
   }
-  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
+  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, ProcessSetPolicy>(
       jit.get(),
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
       micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells));
 }
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> getFourStageMultiCellJitChapmanSolver(
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
+micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, ProcessSetPolicy> getFourStageMultiCellJitChapmanSolver(
     const size_t number_of_grid_cells)
 {
   micm::Phase gas_phase = createGasPhase();
@@ -55,15 +55,15 @@ micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
     llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
     EXPECT_TRUE(false);
   }
-  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
+  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, ProcessSetPolicy>(
       jit.get(),
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
       micm::RosenbrockSolverParameters::four_stage_rosenbrock_parameters(number_of_grid_cells));
 }
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> getFourStageDAMultiCellJitChapmanSolver(
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
+micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, ProcessSetPolicy> getFourStageDAMultiCellJitChapmanSolver(
     const size_t number_of_grid_cells)
 {
   micm::Phase gas_phase = createGasPhase();
@@ -75,15 +75,15 @@ micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
     llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
     EXPECT_TRUE(false);
   }
-  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
+  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, ProcessSetPolicy>(
       jit.get(),
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
       micm::RosenbrockSolverParameters::four_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells));
 }
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
-micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> getSixStageDAMultiCellJitChapmanSolver(
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
+micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, ProcessSetPolicy> getSixStageDAMultiCellJitChapmanSolver(
     const size_t number_of_grid_cells)
 {
   micm::Phase gas_phase = createGasPhase();
@@ -95,7 +95,7 @@ micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>
     llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
     EXPECT_TRUE(false);
   }
-  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
+  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, ProcessSetPolicy>(
       jit.get(),
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
diff --git a/test/regression/RosenbrockChapman/regression_test_jit_dforce_dy.cpp b/test/regression/RosenbrockChapman/regression_test_jit_dforce_dy.cpp
index 05f4ed3a1..4a9b4af36 100644
--- a/test/regression/RosenbrockChapman/regression_test_jit_dforce_dy.cpp
+++ b/test/regression/RosenbrockChapman/regression_test_jit_dforce_dy.cpp
@@ -11,6 +11,7 @@ TEST(RegressionJitRosenbrock, VectorJacobian)
   auto solver = getThreeStageMultiCellJitChapmanSolver<
       Group3VectorMatrix,
       Group3SparseVectorMatrix,
-      micm::JitLinearSolver<3, Group3SparseVectorMatrix>>(3);
+      micm::JitLinearSolver<3, Group3SparseVectorMatrix>,
+      micm::JitProcessSet<3>>(3);
   testJacobian<>(solver);
 }
\ No newline at end of file
diff --git a/test/regression/RosenbrockChapman/regression_test_jit_p_force.cpp b/test/regression/RosenbrockChapman/regression_test_jit_p_force.cpp
index c0c6aada4..e9215c143 100644
--- a/test/regression/RosenbrockChapman/regression_test_jit_p_force.cpp
+++ b/test/regression/RosenbrockChapman/regression_test_jit_p_force.cpp
@@ -11,7 +11,8 @@ TEST(RegressionJitRosenbrock, VectorRateConstants)
   auto solver = getThreeStageMultiCellJitChapmanSolver<
       Group3VectorMatrix,
       Group3SparseVectorMatrix,
-      micm::JitLinearSolver<3, Group3SparseVectorMatrix>>(3);
+      micm::JitLinearSolver<3, Group3SparseVectorMatrix>,
+      micm::JitProcessSet<3>>(3);
   testRateConstants<>(solver);
 }
 
@@ -20,6 +21,7 @@ TEST(RegressionJitRosenbrock, VectorForcing)
   auto solver = getThreeStageMultiCellJitChapmanSolver<
       Group3VectorMatrix,
       Group3SparseVectorMatrix,
-      micm::JitLinearSolver<3, Group3SparseVectorMatrix>>(3);
+      micm::JitLinearSolver<3, Group3SparseVectorMatrix>,
+      micm::JitProcessSet<3>>(3);
   testForcing<Group3VectorMatrix>(solver);
 }
\ No newline at end of file
diff --git a/test/regression/RosenbrockChapman/regression_test_jit_solve.cpp b/test/regression/RosenbrockChapman/regression_test_jit_solve.cpp
index b8a488113..5d3f8ee07 100644
--- a/test/regression/RosenbrockChapman/regression_test_jit_solve.cpp
+++ b/test/regression/RosenbrockChapman/regression_test_jit_solve.cpp
@@ -11,7 +11,8 @@ TEST(RegressionJitRosenbrock, TwoStageSolve)
   auto solver = getTwoStageMultiCellJitChapmanSolver<
       Group3VectorMatrix,
       Group3SparseVectorMatrix,
-      micm::JitLinearSolver<3, Group3SparseVectorMatrix>>(3);
+      micm::JitLinearSolver<3, Group3SparseVectorMatrix>,
+      micm::JitProcessSet<3>>(3);
   testSolve<>(solver, 1.0e-2);
 }
 
@@ -20,7 +21,8 @@ TEST(RegressionJitRosenbrock, ThreeStageSolve)
   auto solver = getThreeStageMultiCellJitChapmanSolver<
       Group3VectorMatrix,
       Group3SparseVectorMatrix,
-      micm::JitLinearSolver<3, Group3SparseVectorMatrix>>(3);
+      micm::JitLinearSolver<3, Group3SparseVectorMatrix>,
+      micm::JitProcessSet<3>>(3);
   testSolve<>(solver, 1.0e-2);
 }
 
@@ -29,7 +31,8 @@ TEST(RegressionJitRosenbrock, FourStageSolve)
   auto solver = getFourStageMultiCellJitChapmanSolver<
       Group3VectorMatrix,
       Group3SparseVectorMatrix,
-      micm::JitLinearSolver<3, Group3SparseVectorMatrix>>(3);
+      micm::JitLinearSolver<3, Group3SparseVectorMatrix>,
+      micm::JitProcessSet<3>>(3);
   testSolve<>(solver, 1.0e-2);
 }
 
@@ -38,7 +41,8 @@ TEST(RegressionJitRosenbrock, FourStageDASolve)
   auto solver = getFourStageDAMultiCellJitChapmanSolver<
       Group3VectorMatrix,
       Group3SparseVectorMatrix,
-      micm::JitLinearSolver<3, Group3SparseVectorMatrix>>(3);
+      micm::JitLinearSolver<3, Group3SparseVectorMatrix>,
+      micm::JitProcessSet<3>>(3);
   testSolve<>(solver, 1.0e-2);
 }
 
@@ -47,6 +51,7 @@ TEST(RegressionJitRosenbrock, SixStageDASolve)
   auto solver = getSixStageDAMultiCellJitChapmanSolver<
       Group3VectorMatrix,
       Group3SparseVectorMatrix,
-      micm::JitLinearSolver<3, Group3SparseVectorMatrix>>(3);
+      micm::JitLinearSolver<3, Group3SparseVectorMatrix>,
+      micm::JitProcessSet<3>>(3);
   testSolve<>(solver, 1.0e-2);
 }
\ No newline at end of file
diff --git a/test/unit/solver/test_jit_rosenbrock.cpp b/test/unit/solver/test_jit_rosenbrock.cpp
index 5515bc87c..b69a0c3b2 100644
--- a/test/unit/solver/test_jit_rosenbrock.cpp
+++ b/test/unit/solver/test_jit_rosenbrock.cpp
@@ -11,7 +11,7 @@
 #include <micm/util/vector_matrix.hpp>
 
 template<std::size_t number_of_grid_cells, template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, micm::JitLinearSolver<number_of_grid_cells, SparseMatrixPolicy>>
+micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, micm::JitLinearSolver<number_of_grid_cells, SparseMatrixPolicy>, micm::JitProcessSet<number_of_grid_cells>>
 getSolver(std::shared_ptr<micm::JitCompiler> jit)
 {
   // ---- foo  bar  baz  quz  quuz
@@ -45,7 +45,7 @@ getSolver(std::shared_ptr<micm::JitCompiler> jit)
       micm::ArrheniusRateConstant({ .A_ = 3.5e-6 }));
 
   return micm::
-      JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, micm::JitLinearSolver<number_of_grid_cells, SparseMatrixPolicy>>(
+      JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, micm::JitLinearSolver<number_of_grid_cells, SparseMatrixPolicy>, micm::JitProcessSet<number_of_grid_cells>>(
           jit,
           micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
           std::vector<micm::Process>{ r1, r2, r3 },
@@ -182,7 +182,8 @@ TEST(JitRosenbrockSolver, MultipleInstances)
   micm::JitRosenbrockSolver<
     Group1VectorMatrix, 
     Group1SparseVectorMatrix, 
-    micm::JitLinearSolver<1, Group1SparseVectorMatrix>
+    micm::JitLinearSolver<1, Group1SparseVectorMatrix>,
+    micm::JitProcessSet<1>
     > solver1(
       jit.get(), 
       chemical_system, 
@@ -192,7 +193,8 @@ TEST(JitRosenbrockSolver, MultipleInstances)
   micm::JitRosenbrockSolver<
     Group1VectorMatrix, 
     Group1SparseVectorMatrix, 
-    micm::JitLinearSolver<1, Group1SparseVectorMatrix>
+    micm::JitLinearSolver<1, Group1SparseVectorMatrix>,
+    micm::JitProcessSet<1>
     > solver2(
       jit.get(), 
       chemical_system, 
@@ -202,7 +204,8 @@ TEST(JitRosenbrockSolver, MultipleInstances)
   micm::JitRosenbrockSolver<
     Group1VectorMatrix, 
     Group1SparseVectorMatrix, 
-    micm::JitLinearSolver<1, Group1SparseVectorMatrix>
+    micm::JitLinearSolver<1, Group1SparseVectorMatrix>,
+    micm::JitProcessSet<1>
     > solver3(
       jit.get(), 
       chemical_system, 

From 73ac44a27731be8c0399bc14468ad1eab415d5eb Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sat, 28 Oct 2023 13:20:03 -0600
Subject: [PATCH 208/318] Split ParseObjectArray into ParseSpeciesArray and
 ParseMechanismArray.

---
 include/micm/configure/camp_config.hpp | 76 ++++++++++++++++++--------
 1 file changed, 53 insertions(+), 23 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index 2d05cd1aa..df452f08d 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -147,9 +147,6 @@ namespace micm
 
         std::cout << "config_file " << config_file << std::endl;
 
-        // The CAMP file list
-        std::vector<std::filesystem::path> camp_files;
-
         // Load the CAMP file list JSON
         json camp_data = json::parse(std::ifstream(config_file));
         if (!camp_data.contains(CAMP_FILES))
@@ -160,6 +157,8 @@ namespace micm
           return status;
         }
 
+        // Build a list of individual CAMP config files
+        std::vector<std::filesystem::path> camp_files;
         for (const auto& element : camp_data[CAMP_FILES])
         {
           std::filesystem::path camp_file = config_dir / element.get<std::string>();
@@ -179,20 +178,41 @@ namespace micm
           return status;
         }
 
-        // Iterate CAMP file list and form CAMP data object list
-        std::vector<json> objects;
+        std::vector<json> species_objects;
+        std::vector<json> mechanism_objects;
 
+        // Iterate CAMP file list and form CAMP data object arrays
         for (const auto& camp_file : camp_files)
         {
           json config_subset = json::parse(std::ifstream(camp_file));
 
           if (config_subset.contains(CAMP_DATA))
           {
+            // Iterate JSON objects from CAMP data entry
             for (const auto& object : config_subset[CAMP_DATA])
             {
               if (!object.is_null())
               {
-                objects.push_back(object);
+                // Require object to have a type entry
+                if (!ValidateJsonWithKey(object, TYPE))
+                {
+                  status = ConfigParseStatus::ObjectTypeNotFound;
+	          std::string msg = configParseStatusToString(status);
+	          std::cerr << msg << std::endl;
+                  return status;
+                }
+                // Sort into object arrays by type
+                std::string type = object[TYPE].get<std::string>();
+                // CHEM_SPEC and RELATIVE_TOLERANCE parsed first by ParseSpeciesArray
+                if ((type == "CHEM_SPEC") || (type == "RELATIVE_TOLERANCE"))
+                {
+                  species_objects.push_back(object);
+                }
+                // All other objects will be parsed by ParseMechanismArray
+                else
+                {
+                  mechanism_objects.push_back(object);
+                }
               }
             }
           }
@@ -214,36 +234,26 @@ namespace micm
         phases_.clear();
         processes_.clear();
 
-        // Parse data object list
-        status = ParseObjectArray(objects);
+        // Parse species object array
+        status = ParseSpeciesArray(species_objects);
 
         // Assign the parsed 'Species' to 'Phase'
         gas_phase_ = Phase(species_arr_);
 
-        for (auto& p : processes_)
-        {
-          for (const auto& s : species_arr_)
-          {
-            p.phase_.species_.push_back(s);
-          }
-        }
+        // Parse mechanism object array
+        status = ParseMechanismArray(mechanism_objects);
 
         return status;
       }
 
     private:
 
-      ConfigParseStatus ParseObjectArray(const std::vector<json>& objects)
+      ConfigParseStatus ParseSpeciesArray(const std::vector<json>& objects)
       {
         ConfigParseStatus status = ConfigParseStatus::None;
 
         for (const auto& object : objects)
         {
-          if (!ValidateJsonWithKey(object, TYPE))
-          {
-            status = ConfigParseStatus::ObjectTypeNotFound;
-            break;
-          }
           std::string type = object[TYPE].get<std::string>();
 
           // debug statements
@@ -258,7 +268,27 @@ namespace micm
           {
             status = ParseRelativeTolerance(object);
           }
-          else if (type == "MECHANISM")
+
+          if (status != ConfigParseStatus::Success)
+            break;
+        }
+
+        return status;
+      }
+
+      ConfigParseStatus ParseMechanismArray(const std::vector<json>& objects)
+      {
+        ConfigParseStatus status = ConfigParseStatus::None;
+
+        for (const auto& object : objects)
+        {
+          std::string type = object[TYPE].get<std::string>();
+
+          // debug statements
+          // std::cout << type << std::endl;
+          // std::cout << object.dump(4) << std::endl;
+
+          if (type == "MECHANISM")
           {
             status = ParseMechanism(object);
           }
@@ -368,7 +398,7 @@ namespace micm
           objects.push_back(element);
         }
 
-        return ParseObjectArray(objects);
+        return ParseMechanismArray(objects);
       }
 
       std::pair<ConfigParseStatus, std::vector<Species>> ParseReactants(const json& object)

From cc6ba124609973c1d79da2a948d2e4c783d3cc27 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sat, 28 Oct 2023 13:30:09 -0600
Subject: [PATCH 209/318] Commented some debug statements.

---
 include/micm/configure/camp_config.hpp | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
index df452f08d..e6dfcb538 100644
--- a/include/micm/configure/camp_config.hpp
+++ b/include/micm/configure/camp_config.hpp
@@ -145,7 +145,7 @@ namespace micm
           config_file = config_path;
         }
 
-        std::cout << "config_file " << config_file << std::endl;
+        // std::cout << "config_file " << config_file << std::endl;
 
         // Load the CAMP file list JSON
         json camp_data = json::parse(std::ifstream(config_file));
@@ -258,7 +258,7 @@ namespace micm
 
           // debug statements
           // std::cout << type << std::endl;
-          // std::cout << object.dump(4) << std::endl;
+          // std::cout << "ParseSpeciesArray object " << object.dump(4) << std::endl;
 
           if (type == "CHEM_SPEC")
           {
@@ -286,7 +286,7 @@ namespace micm
 
           // debug statements
           // std::cout << type << std::endl;
-          // std::cout << object.dump(4) << std::endl;
+          // std::cout << "ParseMechanismArray object " << object.dump(4) << std::endl;
 
           if (type == "MECHANISM")
           {

From 0a70ed69c39d27f8c8f030064dd1109897b81c23 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sat, 28 Oct 2023 13:43:36 -0600
Subject: [PATCH 210/318] Moved camp_config.hpp to solver_config.hpp.

---
 include/micm/configure/camp_config.hpp        | 1034 ------------
 include/micm/configure/solver_config.hpp      | 1403 +++++++++--------
 test/unit/configure/CMakeLists.txt            |    1 -
 test/unit/configure/process/CMakeLists.txt    |    9 -
 .../process/test_arrhenius_camp_config.cpp    |  113 --
 .../process/test_branched_camp_config.cpp     |  131 --
 .../process/test_emission_camp_config.cpp     |   58 -
 .../test_first_order_loss_camp_config.cpp     |   57 -
 .../process/test_photolysis_camp_config.cpp   |   82 -
 .../process/test_surface_camp_config.cpp      |   82 -
 ...ernary_chemical_activation_camp_config.cpp |  101 --
 .../process/test_troe_camp_config.cpp         |   97 --
 .../process/test_tunneling_camp_config.cpp    |   87 -
 test/unit/configure/test_camp_config.cpp      |  151 --
 test/unit/configure/test_solver_config.cpp    |   35 +-
 15 files changed, 740 insertions(+), 2701 deletions(-)
 delete mode 100644 include/micm/configure/camp_config.hpp
 delete mode 100644 test/unit/configure/process/test_arrhenius_camp_config.cpp
 delete mode 100644 test/unit/configure/process/test_branched_camp_config.cpp
 delete mode 100644 test/unit/configure/process/test_emission_camp_config.cpp
 delete mode 100644 test/unit/configure/process/test_first_order_loss_camp_config.cpp
 delete mode 100644 test/unit/configure/process/test_photolysis_camp_config.cpp
 delete mode 100644 test/unit/configure/process/test_surface_camp_config.cpp
 delete mode 100644 test/unit/configure/process/test_ternary_chemical_activation_camp_config.cpp
 delete mode 100644 test/unit/configure/process/test_troe_camp_config.cpp
 delete mode 100644 test/unit/configure/process/test_tunneling_camp_config.cpp
 delete mode 100644 test/unit/configure/test_camp_config.cpp

diff --git a/include/micm/configure/camp_config.hpp b/include/micm/configure/camp_config.hpp
deleted file mode 100644
index e6dfcb538..000000000
--- a/include/micm/configure/camp_config.hpp
+++ /dev/null
@@ -1,1034 +0,0 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
-//
-// SPDX-License-Identifier: Apache-2.0
-
-#pragma once
-
-#include <array>
-#include <filesystem>
-#include <fstream>
-#include <iostream>
-#include <nlohmann/json.hpp>
-#include <micm/process/process.hpp>
-#include <micm/system/system.hpp>
-#include <micm/system/phase.hpp>
-#include <micm/system/species.hpp>
-#include <micm/util/constants.hpp>
-
-#include <micm/process/user_defined_rate_constant.hpp>
-#include <micm/process/arrhenius_rate_constant.hpp>
-#include <micm/process/troe_rate_constant.hpp>
-#include <micm/process/ternary_chemical_activation_rate_constant.hpp>
-#include <micm/process/branched_rate_constant.hpp>
-#include <micm/process/tunneling_rate_constant.hpp>
-#include <micm/process/surface_rate_constant.hpp>
-
-namespace micm
-{
-  enum class ConfigParseStatus
-  {
-    Success,
-    None,
-    InvalidKey,
-    UnknownKey,
-    InvalidCAMPFilePath,
-    NoConfigFilesFound,
-    CAMPFilesSectionNotFound,
-    CAMPDataSectionNotFound,
-    InvalidSpecies,
-    InvalidMechanism,
-    ObjectTypeNotFound,
-    RequiredKeyNotFound,
-    ContainsNonStandardKey,
-    MutuallyExclusiveOption
-  };
-
-  inline std::string configParseStatusToString(const ConfigParseStatus& status)
-  {
-    switch (status)
-    {
-      case ConfigParseStatus::Success: return "Success";
-      case ConfigParseStatus::None: return "None";
-      case ConfigParseStatus::InvalidKey: return "InvalidKey";
-      case ConfigParseStatus::UnknownKey: return "UnknownKey";
-      case ConfigParseStatus::InvalidCAMPFilePath: return "InvalidCAMPFilePath";
-      case ConfigParseStatus::NoConfigFilesFound: return "NoConfigFilesFound";
-      case ConfigParseStatus::CAMPFilesSectionNotFound: return "CAMPFilesSectionNotFound";
-      case ConfigParseStatus::CAMPDataSectionNotFound: return "CAMPDataSectionNotFound";
-      case ConfigParseStatus::InvalidSpecies: return "InvalidSpecies";
-      case ConfigParseStatus::InvalidMechanism: return "InvalidMechanism";
-      case ConfigParseStatus::ObjectTypeNotFound: return "ObjectTypeNotFound";
-      case ConfigParseStatus::RequiredKeyNotFound: return "RequiredKeyNotFound";
-      case ConfigParseStatus::ContainsNonStandardKey: return "ContainsNonStandardKey";
-      case ConfigParseStatus::MutuallyExclusiveOption: return "MutuallyExclusiveOption";
-      default: return "Unknown";
-    }
-  }
-
-  // Solver parameters
-  struct SolverParameters
-  {
-    System system_;
-    std::vector<Process> processes_;
-
-    SolverParameters(const System& system, std::vector<Process>&& processes)
-        : system_(system),
-          processes_(std::move(processes))
-    {
-    }
-
-    SolverParameters(System&& system, std::vector<Process>&& processes)
-        : system_(std::move(system)),
-          processes_(std::move(processes))
-    {
-    }
-  };
-
-  class JsonReaderPolicy
-  {
-    using json = nlohmann::json;
-
-    public:
-      std::vector<Species> species_arr_;
-
-      std::vector<UserDefinedRateConstant> user_defined_rate_arr_;
-      std::vector<ArrheniusRateConstant> arrhenius_rate_arr_;
-      std::vector<TroeRateConstant> troe_rate_arr_;
-      std::vector<TernaryChemicalActivationRateConstant> ternary_rate_arr_;
-      std::vector<BranchedRateConstant> branched_rate_arr_;
-      std::vector<TunnelingRateConstant> tunneling_rate_arr_;
-      std::vector<SurfaceRateConstant> surface_rate_arr_;
-
-      // Specific for solver parameters
-      Phase gas_phase_;
-      std::unordered_map<std::string, Phase> phases_;
-      std::vector<Process> processes_;
-
-      // Common JSON
-      static const inline std::string DEFAULT_CONFIG_FILE = "config.json";
-      static const inline std::string CAMP_FILES = "camp-files";
-      static const inline std::string CAMP_DATA = "camp-data";
-      static const inline std::string TYPE = "type";
-
-      // Functions
-
-      /// @brief Parse configures
-      /// @param config_path Path to a the CAMP configuration directory or file
-      /// @return True for successful parsing
-      ConfigParseStatus Parse(const std::filesystem::path& config_path)
-      {
-        // Parse status
-        ConfigParseStatus status;
-
-        // Look for CAMP config path
-        if (!std::filesystem::exists(config_path))
-        {
-          status = ConfigParseStatus::InvalidCAMPFilePath;
-	  std::string msg = configParseStatusToString(status);
-	  std::cerr << msg << std::endl;
-          return status;
-        }
-
-        std::filesystem::path config_dir;
-        std::filesystem::path config_file;
-
-        if (std::filesystem::is_directory(config_path))
-        {
-          // If config path is a directory, use default config file name
-          config_dir = config_path;
-          config_file = config_dir / DEFAULT_CONFIG_FILE;
-        }
-        else
-        {
-          // Extract configuration dir from configuration file path
-          config_dir = config_path.parent_path();
-          config_file = config_path;
-        }
-
-        // std::cout << "config_file " << config_file << std::endl;
-
-        // Load the CAMP file list JSON
-        json camp_data = json::parse(std::ifstream(config_file));
-        if (!camp_data.contains(CAMP_FILES))
-        {
-          status = ConfigParseStatus::CAMPFilesSectionNotFound;
-	  std::string msg = configParseStatusToString(status);
-	  std::cerr << msg << std::endl;
-          return status;
-        }
-
-        // Build a list of individual CAMP config files
-        std::vector<std::filesystem::path> camp_files;
-        for (const auto& element : camp_data[CAMP_FILES])
-        {
-          std::filesystem::path camp_file = config_dir / element.get<std::string>();
-          if (std::filesystem::exists(camp_file))
-          {
-            camp_files.push_back(camp_file);
-          }
-          // Error return here if CAMP files list has a missing file? 
-        }
-
-        // No config files found
-        if (camp_files.size() < 1)
-        {
-          status = ConfigParseStatus::NoConfigFilesFound;
-	  std::string msg = configParseStatusToString(status);
-	  std::cerr << msg << std::endl;
-          return status;
-        }
-
-        std::vector<json> species_objects;
-        std::vector<json> mechanism_objects;
-
-        // Iterate CAMP file list and form CAMP data object arrays
-        for (const auto& camp_file : camp_files)
-        {
-          json config_subset = json::parse(std::ifstream(camp_file));
-
-          if (config_subset.contains(CAMP_DATA))
-          {
-            // Iterate JSON objects from CAMP data entry
-            for (const auto& object : config_subset[CAMP_DATA])
-            {
-              if (!object.is_null())
-              {
-                // Require object to have a type entry
-                if (!ValidateJsonWithKey(object, TYPE))
-                {
-                  status = ConfigParseStatus::ObjectTypeNotFound;
-	          std::string msg = configParseStatusToString(status);
-	          std::cerr << msg << std::endl;
-                  return status;
-                }
-                // Sort into object arrays by type
-                std::string type = object[TYPE].get<std::string>();
-                // CHEM_SPEC and RELATIVE_TOLERANCE parsed first by ParseSpeciesArray
-                if ((type == "CHEM_SPEC") || (type == "RELATIVE_TOLERANCE"))
-                {
-                  species_objects.push_back(object);
-                }
-                // All other objects will be parsed by ParseMechanismArray
-                else
-                {
-                  mechanism_objects.push_back(object);
-                }
-              }
-            }
-          }
-          else
-          {
-            return ConfigParseStatus::CAMPDataSectionNotFound;
-          }
-        }
-
-        // Clear vectors and maps
-        species_arr_.clear();
-        user_defined_rate_arr_.clear();
-        arrhenius_rate_arr_.clear();
-        troe_rate_arr_.clear();
-        ternary_rate_arr_.clear();
-        branched_rate_arr_.clear();
-        tunneling_rate_arr_.clear();
-        surface_rate_arr_.clear();
-        phases_.clear();
-        processes_.clear();
-
-        // Parse species object array
-        status = ParseSpeciesArray(species_objects);
-
-        // Assign the parsed 'Species' to 'Phase'
-        gas_phase_ = Phase(species_arr_);
-
-        // Parse mechanism object array
-        status = ParseMechanismArray(mechanism_objects);
-
-        return status;
-      }
-
-    private:
-
-      ConfigParseStatus ParseSpeciesArray(const std::vector<json>& objects)
-      {
-        ConfigParseStatus status = ConfigParseStatus::None;
-
-        for (const auto& object : objects)
-        {
-          std::string type = object[TYPE].get<std::string>();
-
-          // debug statements
-          // std::cout << type << std::endl;
-          // std::cout << "ParseSpeciesArray object " << object.dump(4) << std::endl;
-
-          if (type == "CHEM_SPEC")
-          {
-            status = ParseChemicalSpecies(object);
-          }
-          else if (type == "RELATIVE_TOLERANCE")
-          {
-            status = ParseRelativeTolerance(object);
-          }
-
-          if (status != ConfigParseStatus::Success)
-            break;
-        }
-
-        return status;
-      }
-
-      ConfigParseStatus ParseMechanismArray(const std::vector<json>& objects)
-      {
-        ConfigParseStatus status = ConfigParseStatus::None;
-
-        for (const auto& object : objects)
-        {
-          std::string type = object[TYPE].get<std::string>();
-
-          // debug statements
-          // std::cout << type << std::endl;
-          // std::cout << "ParseMechanismArray object " << object.dump(4) << std::endl;
-
-          if (type == "MECHANISM")
-          {
-            status = ParseMechanism(object);
-          }
-          else if (type == "PHOTOLYSIS")
-          {
-            status = ParsePhotolysis(object);
-          }
-          else if (type == "EMISSION")
-          {
-            status = ParseEmission(object);
-          }
-          else if (type == "FIRST_ORDER_LOSS")
-          {
-            status = ParseFirstOrderLoss(object);
-          }
-          else if (type == "ARRHENIUS")
-          {
-            status = ParseArrhenius(object);
-          }
-          else if (type == "TROE")
-          {
-            status = ParseTroe(object);
-          }
-          else if (type == "TERNARY_CHEMICAL_ACTIVATION")
-          {
-            status = ParseTernaryChemicalActivation(object);
-          }
-          else if (type == "BRANCHED" || type == "WENNBERG_NO_RO2")
-          {
-            status = ParseBranched(object);
-          }
-          else if (type == "TUNNELING" || type == "WENNBERG_TUNNELING")
-          {
-            status = ParseTunneling(object);
-          }
-          else if (type == "SURFACE")
-          {
-            status = ParseSurface(object);
-          }
-          else
-          {
-            status = ConfigParseStatus::UnknownKey;
-          }
-
-          if (status != ConfigParseStatus::Success)
-            break;
-        }
-
-        return status;
-      }
-
-      bool ValidateJsonWithKey(const json& object, const std::string& key)
-      {
-        if (!object.contains(key))
-        {
-          std::string msg = "Key " + key + " was not found in the config file";
-          std::cerr << msg << std::endl;
-          return false;
-        }
-        return true;
-      }
-
-      ConfigParseStatus ParseChemicalSpecies(const json& object)
-      {
-        // required keys
-        const std::string NAME = "name";
-
-        auto status = ValidateSchema(
-          object,
-          { NAME, "type" },
-          { "tracer type", "absolute tolerance", "diffusion coefficient [m2 s-1]", "molecular weight [kg mol-1]" });
-        if (status != ConfigParseStatus::Success)
-        {
-          return status;
-        }
-
-        std::string name = object[NAME].get<std::string>();
-
-        // Load remaining keys as properties
-        std::map<std::string, double> properties{};
-        for (auto& [key, value] : object.items())
-        {
-          if (value.is_number_float())
-            properties[key] = value;
-        }
-        species_arr_.push_back(Species(name, properties));
-
-        return ConfigParseStatus::Success;
-      }
-
-      ConfigParseStatus ParseRelativeTolerance(const json& object)
-      {
-        return ConfigParseStatus::Success;
-      }
-
-      ConfigParseStatus ParseMechanism(const json& object)
-      {
-        auto status = ValidateSchema(object, { "name", "reactions", "type" }, {});
-        if (status != ConfigParseStatus::Success)
-        {
-          return status;
-        }
-
-        std::vector<json> objects;
-        for (const auto& element : object["reactions"])
-        {
-          objects.push_back(element);
-        }
-
-        return ParseMechanismArray(objects);
-      }
-
-      std::pair<ConfigParseStatus, std::vector<Species>> ParseReactants(const json& object)
-      {
-        const std::string QTY = "qty";
-        std::vector<Species> reactants;
-
-        ConfigParseStatus status = ConfigParseStatus::Success;
-
-        for (auto& [key, value] : object.items())
-        {
-          std::size_t qty = 1;
-          auto new_status = ValidateSchema(value, {}, { "qty" });
-          if (new_status != ConfigParseStatus::Success)
-          {
-            status = new_status;
-          }
-          if (value.contains(QTY))
-            qty = value[QTY];
-          for (std::size_t i = 0; i < qty; ++i)
-            reactants.push_back(Species(key));
-        }
-        return std::make_pair(status, reactants);
-      }
-
-      std::pair<ConfigParseStatus, std::vector<std::pair<Species, double>>> ParseProducts(const json& object)
-      {
-        const std::string YIELD = "yield";
-
-        ConfigParseStatus status = ConfigParseStatus::Success;
-
-        constexpr double DEFAULT_YIELD = 1.0;
-        std::vector<std::pair<Species, double>> products;
-        for (auto& [key, value] : object.items())
-        {
-          auto new_status = ValidateSchema(value, {}, { "yield" });
-          if (new_status != ConfigParseStatus::Success)
-          {
-            status = new_status;
-          }
-          if (value.contains(YIELD))
-          {
-            products.push_back(std::make_pair(Species(key), value[YIELD]));
-          }
-          else
-          {
-            products.push_back(std::make_pair(Species(key), DEFAULT_YIELD));
-          }
-        }
-        return std::make_pair(status, products);
-      }
-
-      ConfigParseStatus ParsePhotolysis(const json& object)
-      {
-        const std::string REACTANTS = "reactants";
-        const std::string PRODUCTS = "products";
-        const std::string MUSICA_NAME = "MUSICA name";
-
-        auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, {});
-        if (status != ConfigParseStatus::Success)
-        {
-          return status;
-        }
-
-        auto reactants = ParseReactants(object[REACTANTS]);
-        auto products = ParseProducts(object[PRODUCTS]);
-
-        if (reactants.first != ConfigParseStatus::Success)
-        {
-          return reactants.first;
-        }
-
-        if (products.first != ConfigParseStatus::Success)
-        {
-          return products.first;
-        }
-
-        std::string name = "PHOTO." + object[MUSICA_NAME].get<std::string>();
-
-        user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
-
-        std::unique_ptr<UserDefinedRateConstant> rate_ptr =
-          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
-        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
-
-        return ConfigParseStatus::Success;
-      }
-
-      ConfigParseStatus ParseEmission(const json& object)
-      {
-        const std::string SPECIES = "species";
-        const std::string MUSICA_NAME = "MUSICA name";
-
-        auto status = ValidateSchema(object, { "type", SPECIES, MUSICA_NAME }, {});
-        if (status != ConfigParseStatus::Success)
-        {
-          return status;
-        }
-
-        std::string species = object["species"].get<std::string>();
-        json reactants_object{};
-        json products_object{};
-        products_object[species] = { { "yield", 1.0 } };
-
-        auto reactants = ParseReactants(reactants_object);
-        auto products = ParseProducts(products_object);
-
-        if (reactants.first != ConfigParseStatus::Success)
-        {
-          return reactants.first;
-        }
-
-        if (products.first != ConfigParseStatus::Success)
-        {
-          return products.first;
-        }
-
-        std::string name = "EMIS." + object[MUSICA_NAME].get<std::string>();
-
-        user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
-
-        std::unique_ptr<UserDefinedRateConstant> rate_ptr =
-          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
-        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
-
-        return ConfigParseStatus::Success;
-      }
-
-      ConfigParseStatus ParseFirstOrderLoss(const json& object)
-      {
-        const std::string SPECIES = "species";
-        const std::string MUSICA_NAME = "MUSICA name";
-
-        auto status = ValidateSchema(object, { "type", SPECIES, MUSICA_NAME }, {});
-        if (status != ConfigParseStatus::Success)
-        {
-          return status;
-        }
-
-        std::string species = object["species"].get<std::string>();
-        json reactants_object{};
-        json products_object{};
-        reactants_object[species] = { {} };
-
-        auto reactants = ParseReactants(reactants_object);
-        auto products = ParseProducts(products_object);
-
-        if (reactants.first != ConfigParseStatus::Success)
-        {
-          return reactants.first;
-        }
-
-        if (products.first != ConfigParseStatus::Success)
-        {
-          return products.first;
-        }
-
-        std::string name = "LOSS." + object[MUSICA_NAME].get<std::string>();
-
-        user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
-
-        std::unique_ptr<UserDefinedRateConstant> rate_ptr =
-          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
-        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
-
-        return ConfigParseStatus::Success;
-      }
-
-      ConfigParseStatus ParseArrhenius(const json& object)
-      {
-        const std::string REACTANTS = "reactants";
-        const std::string PRODUCTS = "products";
-
-        auto status =
-          ValidateSchema(object, { "type", REACTANTS, PRODUCTS }, { "A", "B", "C", "D", "E", "Ea", "MUSICA name" });
-        if (status != ConfigParseStatus::Success)
-        {
-          return status;
-        }
-
-        auto reactants = ParseReactants(object[REACTANTS]);
-        auto products = ParseProducts(object[PRODUCTS]);
-
-        if (reactants.first != ConfigParseStatus::Success)
-        {
-          return reactants.first;
-        }
-
-        if (products.first != ConfigParseStatus::Success)
-        {
-          return products.first;
-        }
-
-        ArrheniusRateConstantParameters parameters;
-        if (object.contains("A"))
-        {
-          parameters.A_ = object["A"].get<double>();
-        }
-        if (object.contains("B"))
-        {
-          parameters.B_ = object["B"].get<double>();
-        }
-        if (object.contains("C"))
-        {
-          parameters.C_ = object["C"].get<double>();
-        }
-        if (object.contains("D"))
-        {
-          parameters.D_ = object["D"].get<double>();
-        }
-        if (object.contains("E"))
-        {
-          parameters.E_ = object["E"].get<double>();
-        }
-        if (object.contains("Ea"))
-        {
-        if (parameters.C_ != 0)
-        {
-          std::cerr << "Ea is specified when C is also specified for an Arrhenius reaction. Pick one." << std::endl;
-          return ConfigParseStatus::MutuallyExclusiveOption;
-        }
-          // Calculate 'C' using 'Ea'
-          parameters.C_ = -1 * object["Ea"].get<double>() / BOLTZMANN_CONSTANT;
-        }
-
-        arrhenius_rate_arr_.push_back(ArrheniusRateConstant(parameters));
- 
-        std::unique_ptr<ArrheniusRateConstant> rate_ptr = std::make_unique<ArrheniusRateConstant>(parameters);
-
-        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
-
-        return ConfigParseStatus::Success;
-      }
-
-      ConfigParseStatus ParseTroe(const json& object)
-      {
-        const std::string REACTANTS = "reactants";
-        const std::string PRODUCTS = "products";
-
-        auto status = ValidateSchema(
-          object, { "type", REACTANTS, PRODUCTS }, { "k0_A", "k0_B", "k0_C", "kinf_A", "kinf_B", "kinf_C", "Fc", "N" });
-        if (status != ConfigParseStatus::Success)
-        {
-          return status;
-        }
-
-        auto reactants = ParseReactants(object[REACTANTS]);
-        auto products = ParseProducts(object[PRODUCTS]);
-
-        if (reactants.first != ConfigParseStatus::Success)
-        {
-          return reactants.first;
-        }
-
-        if (products.first != ConfigParseStatus::Success)
-        {
-          return products.first;
-        }
-
-        TroeRateConstantParameters parameters;
-        if (object.contains("k0_A"))
-        {
-          parameters.k0_A_ = object["k0_A"].get<double>();
-        }
-        if (object.contains("k0_B"))
-        {
-          parameters.k0_B_ = object["k0_B"].get<double>();
-        }
-        if (object.contains("k0_C"))
-        {
-          parameters.k0_C_ = object["k0_C"].get<double>();
-        }
-        if (object.contains("kinf_A"))
-        {
-          parameters.kinf_A_ = object["kinf_A"].get<double>();
-        }
-        if (object.contains("kinf_B"))
-        {
-          parameters.kinf_B_ = object["kinf_B"].get<double>();
-        }
-        if (object.contains("kinf_C"))
-        {
-          parameters.kinf_C_ = object["kinf_C"].get<double>();
-        }
-        if (object.contains("Fc"))
-        {
-          parameters.Fc_ = object["Fc"].get<double>();
-        }
-        if (object.contains("N"))
-        {
-          parameters.N_ = object["N"].get<double>();
-        }
-
-        troe_rate_arr_.push_back(TroeRateConstant(parameters));
-
-        std::unique_ptr<TroeRateConstant> rate_ptr = std::make_unique<TroeRateConstant>(parameters);
-
-        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
-
-        return ConfigParseStatus::Success;
-      }
-
-      ConfigParseStatus ParseTernaryChemicalActivation(const json& object)
-      {
-        const std::string REACTANTS = "reactants";
-        const std::string PRODUCTS = "products";
-
-        auto status = ValidateSchema(
-          object, { "type", REACTANTS, PRODUCTS }, { "k0_A", "k0_B", "k0_C", "kinf_A", "kinf_B", "kinf_C", "Fc", "N" });
-        if (status != ConfigParseStatus::Success)
-        {
-          return status;
-        }
-
-        auto reactants = ParseReactants(object[REACTANTS]);
-        auto products = ParseProducts(object[PRODUCTS]);
-
-        if (reactants.first != ConfigParseStatus::Success)
-        {
-          return reactants.first;
-        }
-
-        if (products.first != ConfigParseStatus::Success)
-        {
-          return products.first;
-        }
-
-        TernaryChemicalActivationRateConstantParameters parameters;
-        if (object.contains("k0_A"))
-        {
-          parameters.k0_A_ = object["k0_A"].get<double>();
-        }
-        if (object.contains("k0_B"))
-        {
-          parameters.k0_B_ = object["k0_B"].get<double>();
-        }
-        if (object.contains("k0_C"))
-        {
-          parameters.k0_C_ = object["k0_C"].get<double>();
-        }
-        if (object.contains("kinf_A"))
-        {
-          parameters.kinf_A_ = object["kinf_A"].get<double>();
-        }
-        if (object.contains("kinf_B"))
-        {
-          parameters.kinf_B_ = object["kinf_B"].get<double>();
-        }
-        if (object.contains("kinf_C"))
-        {
-          parameters.kinf_C_ = object["kinf_C"].get<double>();
-        }
-        if (object.contains("Fc"))
-        {
-          parameters.Fc_ = object["Fc"].get<double>();
-        }
-        if (object.contains("N"))
-        {
-          parameters.N_ = object["N"].get<double>();
-        }
-
-        ternary_rate_arr_.push_back(TernaryChemicalActivationRateConstant(parameters));
-
-        std::unique_ptr<TernaryChemicalActivationRateConstant> rate_ptr =
-          std::make_unique<TernaryChemicalActivationRateConstant>(parameters);
-
-        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
-
-        return ConfigParseStatus::Success;
-      }
-
-      ConfigParseStatus ParseBranched(const json& object)
-      {
-        const std::string REACTANTS = "reactants";
-        const std::string ALKOXY_PRODUCTS = "alkoxy products";
-        const std::string NITRATE_PRODUCTS = "nitrate products";
-        const std::string X = "X";
-        const std::string Y = "Y";
-        const std::string A0 = "a0";
-        const std::string N = "n";
-
-        auto status = ValidateSchema(object, { "type", REACTANTS, ALKOXY_PRODUCTS, NITRATE_PRODUCTS, X, Y, A0, N }, {});
-        if (status != ConfigParseStatus::Success)
-        {
-          return status;
-        }
-
-        auto reactants = ParseReactants(object[REACTANTS]);
-        auto alkoxy_products = ParseProducts(object[ALKOXY_PRODUCTS]);
-        auto nitrate_products = ParseProducts(object[NITRATE_PRODUCTS]);
-
-        if (reactants.first != ConfigParseStatus::Success)
-        {
-          return reactants.first;
-        }
-
-        if (alkoxy_products.first != ConfigParseStatus::Success)
-        {
-          return alkoxy_products.first;
-        }
-
-        if (nitrate_products.first != ConfigParseStatus::Success)
-        {
-          return nitrate_products.first;
-        }
-
-        BranchedRateConstantParameters parameters;
-        parameters.X_ = object[X].get<double>();
-        parameters.Y_ = object[Y].get<double>();
-        parameters.a0_ = object[A0].get<double>();
-        parameters.n_ = object[N].get<int>();
-
-        // Alkoxy branch
-        parameters.branch_ = BranchedRateConstantParameters::Branch::Alkoxy;
-        branched_rate_arr_.push_back(BranchedRateConstant(parameters));
-        std::unique_ptr<BranchedRateConstant> rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
-        processes_.push_back(Process(reactants.second, alkoxy_products.second, std::move(rate_ptr), gas_phase_));
-
-        // Nitrate branch
-        parameters.branch_ = BranchedRateConstantParameters::Branch::Nitrate;
-        branched_rate_arr_.push_back(BranchedRateConstant(parameters));
-        rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
-        processes_.push_back(Process(reactants.second, nitrate_products.second, std::move(rate_ptr), gas_phase_));
-
-        return ConfigParseStatus::Success;
-      }
-
-      ConfigParseStatus ParseTunneling(const json& object)
-      {
-        const std::string REACTANTS = "reactants";
-        const std::string PRODUCTS = "products";
-
-        auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS }, { "A", "B", "C" });
-        if (status != ConfigParseStatus::Success)
-        {
-          return status;
-        }
-
-        auto reactants = ParseReactants(object[REACTANTS]);
-        auto products = ParseProducts(object[PRODUCTS]);
-
-        if (reactants.first != ConfigParseStatus::Success)
-        {
-          return reactants.first;
-        }
-
-        if (products.first != ConfigParseStatus::Success)
-        {
-          return products.first;
-        }
-
-        TunnelingRateConstantParameters parameters;
-        if (object.contains("A"))
-        {
-          parameters.A_ = object["A"].get<double>();
-        }
-        if (object.contains("B"))
-        {
-          parameters.B_ = object["B"].get<double>();
-        }
-        if (object.contains("C"))
-        {
-          parameters.C_ = object["C"].get<double>();
-        }
-
-        tunneling_rate_arr_.push_back(TunnelingRateConstant(parameters));
-
-        std::unique_ptr<TunnelingRateConstant> rate_ptr = std::make_unique<TunnelingRateConstant>(parameters);
-
-        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
-
-        return ConfigParseStatus::Success;
-      }
-
-      ConfigParseStatus ParseSurface(const json& object)
-      {
-        const std::string REACTANTS = "gas-phase reactant";
-        const std::string PRODUCTS = "gas-phase products";
-        const std::string MUSICA_NAME = "MUSICA name";
-        const std::string PROBABILITY = "reaction probability";
-
-        auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, { PROBABILITY });
-        if (status != ConfigParseStatus::Success)
-        {
-          return status;
-        }
-
-        std::string species_name = object[REACTANTS].get<std::string>();
-        json reactants_object{};
-        reactants_object[species_name] = { {} };
-
-        auto reactants = ParseReactants(reactants_object);
-        auto products = ParseProducts(object[PRODUCTS]);
-
-        if (reactants.first != ConfigParseStatus::Success)
-        {
-          return reactants.first;
-        }
-
-        if (products.first != ConfigParseStatus::Success)
-        {
-          return products.first;
-        }
-
-        Species reactant_species = Species("");
-        for (auto& species : species_arr_)
-        {
-          if (species.name_ == species_name)
-          {
-            reactant_species = species;
-            break;
-          }
-        }
-        SurfaceRateConstantParameters parameters{ .label_ = "SURF." + object[MUSICA_NAME].get<std::string>(),
-                                                  .species_ = reactant_species };
-
-        if (object.contains(PROBABILITY))
-        {
-          parameters.reaction_probability_ = object[PROBABILITY].get<double>();
-        }
-
-        surface_rate_arr_.push_back(SurfaceRateConstant(parameters));
-
-        std::unique_ptr<SurfaceRateConstant> rate_ptr = std::make_unique<SurfaceRateConstant>(parameters);
-        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
-
-        return ConfigParseStatus::Success;
-      }
-
-    /// @brief Search for nonstandard keys. Only nonstandard keys starting with __ are allowed. Others are considered typos
-    /// @param object the object whose keys need to be validated
-    /// @param required_keys The required keys
-    /// @param optional_keys The optional keys
-    /// @return true if only standard keys are found
-    ConfigParseStatus ValidateSchema(
-        const json& object,
-        const std::vector<std::string>& required_keys,
-        const std::vector<std::string>& optional_keys)
-    {
-      // standard keys are:
-      // those in required keys
-      // those in optional keys
-      // starting with __
-      // anything else is reported as an error so that typos are caught, specifically for optional keys
-
-      // debug statement
-      // std::cout << "ValidateSchema object " << object.dump(4) << std::endl;
-
-      if (!object.empty() && object.begin().value().is_null())
-      {
-        return ConfigParseStatus::Success;
-      }
-
-      std::vector<std::string> sorted_object_keys;
-      for (auto& [key, value] : object.items())
-        sorted_object_keys.push_back(key);
-
-      auto sorted_required_keys = required_keys;
-      auto sorted_optional_keys = optional_keys;
-      std::sort(sorted_object_keys.begin(), sorted_object_keys.end());
-      std::sort(sorted_required_keys.begin(), sorted_required_keys.end());
-      std::sort(sorted_optional_keys.begin(), sorted_optional_keys.end());
-
-      // get the difference between the object keys and those required
-      // what's left should be the optional keys and valid comments
-      std::vector<std::string> difference;
-      std::set_difference(
-          sorted_object_keys.begin(),
-          sorted_object_keys.end(),
-          sorted_required_keys.begin(),
-          sorted_required_keys.end(),
-          std::back_inserter(difference));
-
-      // check that the number of keys remaining is exactly equal to the expected number of required keys
-      if (difference.size() != (sorted_object_keys.size() - required_keys.size()))
-      {
-        return ConfigParseStatus::RequiredKeyNotFound;
-      }
-
-      std::vector<std::string> remaining;
-      std::set_difference(
-          difference.begin(),
-          difference.end(),
-          sorted_optional_keys.begin(),
-          sorted_optional_keys.end(),
-          std::back_inserter(remaining));
-
-      // now, anything left must be standard comment starting with __
-      for (auto& key : remaining)
-      {
-        if (!key.starts_with("__"))
-        {
-          std::cerr << "non-standard key " << key << std::endl;
-          return ConfigParseStatus::ContainsNonStandardKey;
-        }
-      }
-      return ConfigParseStatus::Success;
-    }
-  };
-
-  /// @brief Public interface to read and parse config
-  template<class ConfigTypePolicy = JsonReaderPolicy>
-  class SolverConfig : public ConfigTypePolicy
-  {
-    private:
-      ConfigParseStatus last_parse_status_ = ConfigParseStatus::None;
-
-    public:
-      /// @brief Reads and parses configures
-      /// @param config_dir Path to a the configuration directory
-      /// @return an enum indicating the success or failure of the parse
-      [[nodiscard]] ConfigParseStatus ReadAndParse(const std::filesystem::path& config_dir)
-      {
-        last_parse_status_ = this->Parse(config_dir);
-        return last_parse_status_;
-      }
-
-      /// @brief Creates and returns SolverParameters
-      /// @return SolverParameters that contains 'System' and a collection of 'Process'
-      SolverParameters GetSolverParams()
-      {
-        if (last_parse_status_ != ConfigParseStatus::Success)
-        {
-          std::string msg = "Parsing configuration files failed. The parsing failed with error: " +
-                            configParseStatusToString(last_parse_status_);
-          throw std::runtime_error(msg);
-        }
-
-        return SolverParameters(
-          std::move(System(std::move(this->gas_phase_), std::move(this->phases_))), std::move(this->processes_));
-      }
-  };
-}  // namespace micm
diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 4bb06d3f3..e6dfcb538 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -8,20 +8,20 @@
 #include <filesystem>
 #include <fstream>
 #include <iostream>
-#include <micm/process/arrhenius_rate_constant.hpp>
-#include <micm/process/branched_rate_constant.hpp>
+#include <nlohmann/json.hpp>
 #include <micm/process/process.hpp>
-#include <micm/process/surface_rate_constant.hpp>
-#include <micm/process/ternary_chemical_activation_rate_constant.hpp>
-#include <micm/process/troe_rate_constant.hpp>
-#include <micm/process/tunneling_rate_constant.hpp>
-#include <micm/process/user_defined_rate_constant.hpp>
+#include <micm/system/system.hpp>
 #include <micm/system/phase.hpp>
 #include <micm/system/species.hpp>
-#include <micm/system/system.hpp>
 #include <micm/util/constants.hpp>
-#include <nlohmann/json.hpp>
-#include <variant>
+
+#include <micm/process/user_defined_rate_constant.hpp>
+#include <micm/process/arrhenius_rate_constant.hpp>
+#include <micm/process/troe_rate_constant.hpp>
+#include <micm/process/ternary_chemical_activation_rate_constant.hpp>
+#include <micm/process/branched_rate_constant.hpp>
+#include <micm/process/tunneling_rate_constant.hpp>
+#include <micm/process/surface_rate_constant.hpp>
 
 namespace micm
 {
@@ -29,14 +29,13 @@ namespace micm
   {
     Success,
     None,
-    InvalidSpeciesFilePath,
-    InvalidReactionsFilePath,
     InvalidKey,
     UnknownKey,
-    InvalidSpecies,
+    InvalidCAMPFilePath,
+    NoConfigFilesFound,
     CAMPFilesSectionNotFound,
-    InvalidCAMPFileCount,
     CAMPDataSectionNotFound,
+    InvalidSpecies,
     InvalidMechanism,
     ObjectTypeNotFound,
     RequiredKeyNotFound,
@@ -50,14 +49,13 @@ namespace micm
     {
       case ConfigParseStatus::Success: return "Success";
       case ConfigParseStatus::None: return "None";
-      case ConfigParseStatus::InvalidSpeciesFilePath: return "InvalidSpeciesFilePath";
-      case ConfigParseStatus::InvalidReactionsFilePath: return "InvalidReactionsFilePath";
       case ConfigParseStatus::InvalidKey: return "InvalidKey";
       case ConfigParseStatus::UnknownKey: return "UnknownKey";
-      case ConfigParseStatus::InvalidSpecies: return "InvalidSpecies";
+      case ConfigParseStatus::InvalidCAMPFilePath: return "InvalidCAMPFilePath";
+      case ConfigParseStatus::NoConfigFilesFound: return "NoConfigFilesFound";
       case ConfigParseStatus::CAMPFilesSectionNotFound: return "CAMPFilesSectionNotFound";
-      case ConfigParseStatus::InvalidCAMPFileCount: return "InvalidCAMPFileCount";
       case ConfigParseStatus::CAMPDataSectionNotFound: return "CAMPDataSectionNotFound";
+      case ConfigParseStatus::InvalidSpecies: return "InvalidSpecies";
       case ConfigParseStatus::InvalidMechanism: return "InvalidMechanism";
       case ConfigParseStatus::ObjectTypeNotFound: return "ObjectTypeNotFound";
       case ConfigParseStatus::RequiredKeyNotFound: return "RequiredKeyNotFound";
@@ -86,808 +84,849 @@ namespace micm
     }
   };
 
-  // JSON Configure paser
   class JsonReaderPolicy
   {
     using json = nlohmann::json;
 
-   public:
-    // Read from species configure
-    std::vector<Species> species_arr_;
-
-    // Read from reaction configure
-    std::vector<UserDefinedRateConstant> user_defined_rate_arr_;
-    std::vector<ArrheniusRateConstant> arrhenius_rate_arr_;
-    std::vector<BranchedRateConstant> branched_rate_arr_;
-    std::vector<SurfaceRateConstant> surface_rate_arr_;
-    std::vector<TroeRateConstant> troe_rate_arr_;
-    std::vector<TernaryChemicalActivationRateConstant> ternary_rate_arr_;
-    std::vector<TunnelingRateConstant> tunneling_rate_arr_;
-
-    // Specific for solver parameters
-    Phase gas_phase_;
-    std::unordered_map<std::string, Phase> phases_;
-    std::vector<Process> processes_;
+    public:
+      std::vector<Species> species_arr_;
 
-    // Constants
-    // Configure files
-    static const inline std::string CAMP_CONFIG = "config.json";
-    static const inline std::string SPECIES_CONFIG = "species.json";
-    static const inline std::string MECHANISM_CONFIG = "mechanism.json";
-    static const inline std::string REACTIONS_CONFIG = "reactions.json";
-    static const inline std::string TOLERANCE_CONFIG = "tolerance.json";
+      std::vector<UserDefinedRateConstant> user_defined_rate_arr_;
+      std::vector<ArrheniusRateConstant> arrhenius_rate_arr_;
+      std::vector<TroeRateConstant> troe_rate_arr_;
+      std::vector<TernaryChemicalActivationRateConstant> ternary_rate_arr_;
+      std::vector<BranchedRateConstant> branched_rate_arr_;
+      std::vector<TunnelingRateConstant> tunneling_rate_arr_;
+      std::vector<SurfaceRateConstant> surface_rate_arr_;
 
-    // Common JSON
-    static const inline std::string CAMP_DATA = "camp-data";
-    static const inline std::string CAMP_FILES = "camp-files";
-    static const inline std::string TYPE = "type";
+      // Specific for solver parameters
+      Phase gas_phase_;
+      std::unordered_map<std::string, Phase> phases_;
+      std::vector<Process> processes_;
 
-    // Functions
+      // Common JSON
+      static const inline std::string DEFAULT_CONFIG_FILE = "config.json";
+      static const inline std::string CAMP_FILES = "camp-files";
+      static const inline std::string CAMP_DATA = "camp-data";
+      static const inline std::string TYPE = "type";
 
-    /// @brief Parse configures
-    /// @return True for successful parsing
-    ConfigParseStatus Parse(const std::filesystem::path& config_dir)
-    {
-      // Create configure paths
-      std::filesystem::path species_config(config_dir / SPECIES_CONFIG);
-      std::filesystem::path mechanism_config(config_dir / MECHANISM_CONFIG);
-      std::filesystem::path reactions_config(config_dir / REACTIONS_CONFIG);
-      // Note tolerance_config is defined here but not used
-      std::filesystem::path tolerance_config(config_dir / TOLERANCE_CONFIG);
-
-      // Look for CAMP config file
-      std::filesystem::path camp_config(config_dir / CAMP_CONFIG);
-      if (std::filesystem::exists(camp_config))
+      // Functions
+
+      /// @brief Parse configures
+      /// @param config_path Path to a the CAMP configuration directory or file
+      /// @return True for successful parsing
+      ConfigParseStatus Parse(const std::filesystem::path& config_path)
       {
-        json camp_data = json::parse(std::ifstream(camp_config));
+        // Parse status
+        ConfigParseStatus status;
+
+        // Look for CAMP config path
+        if (!std::filesystem::exists(config_path))
+        {
+          status = ConfigParseStatus::InvalidCAMPFilePath;
+	  std::string msg = configParseStatusToString(status);
+	  std::cerr << msg << std::endl;
+          return status;
+        }
+
+        std::filesystem::path config_dir;
+        std::filesystem::path config_file;
+
+        if (std::filesystem::is_directory(config_path))
+        {
+          // If config path is a directory, use default config file name
+          config_dir = config_path;
+          config_file = config_dir / DEFAULT_CONFIG_FILE;
+        }
+        else
+        {
+          // Extract configuration dir from configuration file path
+          config_dir = config_path.parent_path();
+          config_file = config_path;
+        }
+
+        // std::cout << "config_file " << config_file << std::endl;
+
+        // Load the CAMP file list JSON
+        json camp_data = json::parse(std::ifstream(config_file));
         if (!camp_data.contains(CAMP_FILES))
-          return ConfigParseStatus::CAMPFilesSectionNotFound;
+        {
+          status = ConfigParseStatus::CAMPFilesSectionNotFound;
+	  std::string msg = configParseStatusToString(status);
+	  std::cerr << msg << std::endl;
+          return status;
+        }
 
-        std::vector<std::string> camp_files;
+        // Build a list of individual CAMP config files
+        std::vector<std::filesystem::path> camp_files;
         for (const auto& element : camp_data[CAMP_FILES])
         {
-          camp_files.push_back(element.get<std::string>());
+          std::filesystem::path camp_file = config_dir / element.get<std::string>();
+          if (std::filesystem::exists(camp_file))
+          {
+            camp_files.push_back(camp_file);
+          }
+          // Error return here if CAMP files list has a missing file? 
         }
-        if (camp_files.size() < 2)
+
+        // No config files found
+        if (camp_files.size() < 1)
         {
-          std::string err_msg = "CAMP file list should contain at least two files [species.json, mechanism.json]";
-          std::cerr << err_msg << std::endl;
-          return ConfigParseStatus::InvalidCAMPFileCount;
+          status = ConfigParseStatus::NoConfigFilesFound;
+	  std::string msg = configParseStatusToString(status);
+	  std::cerr << msg << std::endl;
+          return status;
         }
-        // As a temporary implementation, assume camp files are ordered
-        species_config = config_dir / camp_files[0];
-        mechanism_config = config_dir / camp_files[1];
-      }
 
-      // Current reaction configs should be either mechanism_config or reactions_config
-      std::filesystem::path cur_reactions_config;
+        std::vector<json> species_objects;
+        std::vector<json> mechanism_objects;
 
-      // Check if species config exists
-      if (!std::filesystem::exists(species_config))
-      {
-        std::string err_msg = "Species configuration file at path " + species_config.string() + " does not exist\n";
-        std::cerr << err_msg << std::endl;
-        return ConfigParseStatus::InvalidSpeciesFilePath;
-      }
+        // Iterate CAMP file list and form CAMP data object arrays
+        for (const auto& camp_file : camp_files)
+        {
+          json config_subset = json::parse(std::ifstream(camp_file));
+
+          if (config_subset.contains(CAMP_DATA))
+          {
+            // Iterate JSON objects from CAMP data entry
+            for (const auto& object : config_subset[CAMP_DATA])
+            {
+              if (!object.is_null())
+              {
+                // Require object to have a type entry
+                if (!ValidateJsonWithKey(object, TYPE))
+                {
+                  status = ConfigParseStatus::ObjectTypeNotFound;
+	          std::string msg = configParseStatusToString(status);
+	          std::cerr << msg << std::endl;
+                  return status;
+                }
+                // Sort into object arrays by type
+                std::string type = object[TYPE].get<std::string>();
+                // CHEM_SPEC and RELATIVE_TOLERANCE parsed first by ParseSpeciesArray
+                if ((type == "CHEM_SPEC") || (type == "RELATIVE_TOLERANCE"))
+                {
+                  species_objects.push_back(object);
+                }
+                // All other objects will be parsed by ParseMechanismArray
+                else
+                {
+                  mechanism_objects.push_back(object);
+                }
+              }
+            }
+          }
+          else
+          {
+            return ConfigParseStatus::CAMPDataSectionNotFound;
+          }
+        }
 
-      // Check if a reaction configure exists and decide which one
-      if (std::filesystem::exists(mechanism_config))
-      {
-        cur_reactions_config = mechanism_config;
-      }
-      else if (std::filesystem::exists(reactions_config))
-      {
-        cur_reactions_config = reactions_config;
-      }
-      else
-      {
-        std::string err_msg = "Reaction configuration file at path " + mechanism_config.string() + " or " +
-                              reactions_config.string() + " does not exist\n";
-        std::cerr << err_msg << std::endl;
-        return ConfigParseStatus::InvalidReactionsFilePath;
-      }
+        // Clear vectors and maps
+        species_arr_.clear();
+        user_defined_rate_arr_.clear();
+        arrhenius_rate_arr_.clear();
+        troe_rate_arr_.clear();
+        ternary_rate_arr_.clear();
+        branched_rate_arr_.clear();
+        tunneling_rate_arr_.clear();
+        surface_rate_arr_.clear();
+        phases_.clear();
+        processes_.clear();
 
-      // Read species file to create Species and Phase that needs to be known to System and Process
+        // Parse species object array
+        status = ParseSpeciesArray(species_objects);
 
-      auto species_status = ConfigureSpecies(species_config);
-      if (species_status != ConfigParseStatus::Success)
-        return species_status;
+        // Assign the parsed 'Species' to 'Phase'
+        gas_phase_ = Phase(species_arr_);
 
-      // Assign the parsed 'Species' to 'Phase'
-      gas_phase_ = Phase(species_arr_);
+        // Parse mechanism object array
+        status = ParseMechanismArray(mechanism_objects);
 
-      // Read reactions file
-      json reaction_data = json::parse(std::ifstream(cur_reactions_config));
+        return status;
+      }
 
-      if (!reaction_data.contains(CAMP_DATA))
-        return ConfigParseStatus::CAMPDataSectionNotFound;
+    private:
 
-      std::vector<json> reaction_objects;
-      for (const auto& element : reaction_data[CAMP_DATA])
+      ConfigParseStatus ParseSpeciesArray(const std::vector<json>& objects)
       {
-        reaction_objects.push_back(element);
-      }
+        ConfigParseStatus status = ConfigParseStatus::None;
 
-      return ParseObjectArray(reaction_objects);
-    }
+        for (const auto& object : objects)
+        {
+          std::string type = object[TYPE].get<std::string>();
+
+          // debug statements
+          // std::cout << type << std::endl;
+          // std::cout << "ParseSpeciesArray object " << object.dump(4) << std::endl;
+
+          if (type == "CHEM_SPEC")
+          {
+            status = ParseChemicalSpecies(object);
+          }
+          else if (type == "RELATIVE_TOLERANCE")
+          {
+            status = ParseRelativeTolerance(object);
+          }
+
+          if (status != ConfigParseStatus::Success)
+            break;
+        }
 
-   private:
-    /// @brief Create 'Species' and 'Phase'
-    /// @param path to 'Species' file
-    /// @return True at success
-    ConfigParseStatus ConfigureSpecies(const std::filesystem::path& file)
-    {
-      ConfigParseStatus status = ConfigParseStatus::None;
-      json file_data = json::parse(std::ifstream(file));
+        return status;
+      }
+
+      ConfigParseStatus ParseMechanismArray(const std::vector<json>& objects)
+      {
+        ConfigParseStatus status = ConfigParseStatus::None;
 
-      if (!file_data.contains(CAMP_DATA))
-        return ConfigParseStatus::CAMPDataSectionNotFound;
+        for (const auto& object : objects)
+        {
+          std::string type = object[TYPE].get<std::string>();
+
+          // debug statements
+          // std::cout << type << std::endl;
+          // std::cout << "ParseMechanismArray object " << object.dump(4) << std::endl;
+
+          if (type == "MECHANISM")
+          {
+            status = ParseMechanism(object);
+          }
+          else if (type == "PHOTOLYSIS")
+          {
+            status = ParsePhotolysis(object);
+          }
+          else if (type == "EMISSION")
+          {
+            status = ParseEmission(object);
+          }
+          else if (type == "FIRST_ORDER_LOSS")
+          {
+            status = ParseFirstOrderLoss(object);
+          }
+          else if (type == "ARRHENIUS")
+          {
+            status = ParseArrhenius(object);
+          }
+          else if (type == "TROE")
+          {
+            status = ParseTroe(object);
+          }
+          else if (type == "TERNARY_CHEMICAL_ACTIVATION")
+          {
+            status = ParseTernaryChemicalActivation(object);
+          }
+          else if (type == "BRANCHED" || type == "WENNBERG_NO_RO2")
+          {
+            status = ParseBranched(object);
+          }
+          else if (type == "TUNNELING" || type == "WENNBERG_TUNNELING")
+          {
+            status = ParseTunneling(object);
+          }
+          else if (type == "SURFACE")
+          {
+            status = ParseSurface(object);
+          }
+          else
+          {
+            status = ConfigParseStatus::UnknownKey;
+          }
+
+          if (status != ConfigParseStatus::Success)
+            break;
+        }
 
-      std::vector<json> objects;
-      for (const auto& element : file_data[CAMP_DATA])
-        objects.push_back(element);
+        return status;
+      }
 
-      for (const auto& object : objects)
+      bool ValidateJsonWithKey(const json& object, const std::string& key)
       {
-        if (!ValidateJsonWithKey(object, TYPE))
+        if (!object.contains(key))
         {
-          status = ConfigParseStatus::ObjectTypeNotFound;
-          break;
+          std::string msg = "Key " + key + " was not found in the config file";
+          std::cerr << msg << std::endl;
+          return false;
         }
+        return true;
+      }
 
-        std::string type = object[TYPE].get<std::string>();
+      ConfigParseStatus ParseChemicalSpecies(const json& object)
+      {
+        // required keys
+        const std::string NAME = "name";
 
-        if (type == "CHEM_SPEC")
+        auto status = ValidateSchema(
+          object,
+          { NAME, "type" },
+          { "tracer type", "absolute tolerance", "diffusion coefficient [m2 s-1]", "molecular weight [kg mol-1]" });
+        if (status != ConfigParseStatus::Success)
         {
-          status = ParseChemicalSpecies(object);
+          return status;
         }
-        else if (type == "RELATIVE_TOLERANCE")
+
+        std::string name = object[NAME].get<std::string>();
+
+        // Load remaining keys as properties
+        std::map<std::string, double> properties{};
+        for (auto& [key, value] : object.items())
         {
-          status = ParseRelativeTolerance(object);
+          if (value.is_number_float())
+            properties[key] = value;
         }
+        species_arr_.push_back(Species(name, properties));
 
-        if (status != ConfigParseStatus::Success)
-          break;
+        return ConfigParseStatus::Success;
       }
 
-      return status;
-    }
-
-    bool ValidateJsonWithKey(const json& object, const std::string& key)
-    {
-      if (!object.contains(key))
+      ConfigParseStatus ParseRelativeTolerance(const json& object)
       {
-        std::string msg = "Key " + key + " was not found in the config file";
-        std::cerr << msg << std::endl;
-        return false;
+        return ConfigParseStatus::Success;
       }
-      return true;
-    }
 
-    ConfigParseStatus ParseObjectArray(const std::vector<json>& objects)
-    {
-      ConfigParseStatus status = ConfigParseStatus::None;
-
-      for (const auto& object : objects)
+      ConfigParseStatus ParseMechanism(const json& object)
       {
-        if (!ValidateJsonWithKey(object, TYPE))
+        auto status = ValidateSchema(object, { "name", "reactions", "type" }, {});
+        if (status != ConfigParseStatus::Success)
         {
-          status = ConfigParseStatus::ObjectTypeNotFound;
-          break;
+          return status;
         }
 
-        std::string type = object[TYPE].get<std::string>();
-
-        if (type == "MECHANISM")
-        {
-          status = ParseMechanism(object);
-        }
-        else if (type == "PHOTOLYSIS")
-        {
-          status = ParsePhotolysis(object);
-        }
-        else if (type == "ARRHENIUS")
-        {
-          status = ParseArrhenius(object);
-        }
-        else if (type == "BRANCHED" || type == "WENNBERG_NO_RO2")
+        std::vector<json> objects;
+        for (const auto& element : object["reactions"])
         {
-          status = ParseBranched(object);
+          objects.push_back(element);
         }
-        else if (type == "TERNARY_CHEMICAL_ACTIVATION")
-        {
-          status = ParseTernaryChemicalActivation(object);
-        }
-        else if (type == "TROE")
-        {
-          status = ParseTroe(object);
-        }
-        else if (type == "TUNNELING" || type == "WENNBERG_TUNNELING")
-        {
-          status = ParseTunneling(object);
-        }
-        else if (type == "EMISSION")
-        {
-          status = ParseEmission(object);
-        }
-        else if (type == "FIRST_ORDER_LOSS")
-        {
-          status = ParseFirstOrderLoss(object);
-        }
-        else if (type == "SURFACE")
-        {
-          status = ParseSurface(object);
-        }
-        else
-        {
-          status = ConfigParseStatus::UnknownKey;
-        }
-        if (status != ConfigParseStatus::Success)
-          break;
-      }
 
-      return status;
-    }
-
-    ConfigParseStatus ParseChemicalSpecies(const json& object)
-    {
-      // required keys
-      const std::string NAME = "name";
+        return ParseMechanismArray(objects);
+      }
 
-      auto status = ValidateSchema(
-          object,
-          { NAME, "type" },
-          { "tracer type", "absolute tolerance", "diffusion coefficient [m2 s-1]", "molecular weight [kg mol-1]" });
-      if (status != ConfigParseStatus::Success)
+      std::pair<ConfigParseStatus, std::vector<Species>> ParseReactants(const json& object)
       {
-        return status;
-      }
+        const std::string QTY = "qty";
+        std::vector<Species> reactants;
 
-      std::string name = object[NAME].get<std::string>();
+        ConfigParseStatus status = ConfigParseStatus::Success;
 
-      // Load remaining keys as properties
-      std::map<std::string, double> properties{};
-      for (auto& [key, value] : object.items())
-      {
-        if (value.is_number_float())
-          properties[key] = value;
+        for (auto& [key, value] : object.items())
+        {
+          std::size_t qty = 1;
+          auto new_status = ValidateSchema(value, {}, { "qty" });
+          if (new_status != ConfigParseStatus::Success)
+          {
+            status = new_status;
+          }
+          if (value.contains(QTY))
+            qty = value[QTY];
+          for (std::size_t i = 0; i < qty; ++i)
+            reactants.push_back(Species(key));
+        }
+        return std::make_pair(status, reactants);
       }
-      species_arr_.push_back(Species(name, properties));
 
-      return ConfigParseStatus::Success;
-    }
+      std::pair<ConfigParseStatus, std::vector<std::pair<Species, double>>> ParseProducts(const json& object)
+      {
+        const std::string YIELD = "yield";
 
-    ConfigParseStatus ParseRelativeTolerance(const json& object)
-    {
-      return ConfigParseStatus::Success;
-    }
+        ConfigParseStatus status = ConfigParseStatus::Success;
 
-    ConfigParseStatus ParseMechanism(const json& object)
-    {
-      auto status = ValidateSchema(object, { "name", "reactions", "type" }, {});
-      if (status != ConfigParseStatus::Success)
-      {
-        return status;
+        constexpr double DEFAULT_YIELD = 1.0;
+        std::vector<std::pair<Species, double>> products;
+        for (auto& [key, value] : object.items())
+        {
+          auto new_status = ValidateSchema(value, {}, { "yield" });
+          if (new_status != ConfigParseStatus::Success)
+          {
+            status = new_status;
+          }
+          if (value.contains(YIELD))
+          {
+            products.push_back(std::make_pair(Species(key), value[YIELD]));
+          }
+          else
+          {
+            products.push_back(std::make_pair(Species(key), DEFAULT_YIELD));
+          }
+        }
+        return std::make_pair(status, products);
       }
 
-      std::vector<json> objects;
-      for (const auto& element : object["reactions"])
+      ConfigParseStatus ParsePhotolysis(const json& object)
       {
-        objects.push_back(element);
-      }
+        const std::string REACTANTS = "reactants";
+        const std::string PRODUCTS = "products";
+        const std::string MUSICA_NAME = "MUSICA name";
 
-      return ParseObjectArray(objects);
-    }
+        auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, {});
+        if (status != ConfigParseStatus::Success)
+        {
+          return status;
+        }
 
-    std::pair<ConfigParseStatus, std::vector<Species>> ParseReactants(const json& object)
-    {
-      const std::string QTY = "qty";
-      std::vector<Species> reactants;
+        auto reactants = ParseReactants(object[REACTANTS]);
+        auto products = ParseProducts(object[PRODUCTS]);
 
-      ConfigParseStatus status = ConfigParseStatus::Success;
+        if (reactants.first != ConfigParseStatus::Success)
+        {
+          return reactants.first;
+        }
 
-      for (auto& [key, value] : object.items())
-      {
-        std::size_t qty = 1;
-        auto new_status = ValidateSchema(value, {}, { "qty" });
-        if (new_status != ConfigParseStatus::Success)
+        if (products.first != ConfigParseStatus::Success)
         {
-          status = new_status;
+          return products.first;
         }
-        if (value.contains(QTY))
-          qty = value[QTY];
-        for (std::size_t i = 0; i < qty; ++i)
-          reactants.push_back(Species(key));
-      }
-      return std::make_pair(status, reactants);
-    }
 
-    std::pair<ConfigParseStatus, std::vector<std::pair<Species, double>>> ParseProducts(const json& object)
-    {
-      const std::string YIELD = "yield";
+        std::string name = "PHOTO." + object[MUSICA_NAME].get<std::string>();
 
-      ConfigParseStatus status = ConfigParseStatus::Success;
+        user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
 
-      constexpr double DEFAULT_YEILD = 1.0;
-      std::vector<std::pair<Species, double>> products;
-      for (auto& [key, value] : object.items())
+        std::unique_ptr<UserDefinedRateConstant> rate_ptr =
+          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
+        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
+
+        return ConfigParseStatus::Success;
+      }
+
+      ConfigParseStatus ParseEmission(const json& object)
       {
-        auto new_status = ValidateSchema(value, {}, { "yield" });
-        if (new_status != ConfigParseStatus::Success)
+        const std::string SPECIES = "species";
+        const std::string MUSICA_NAME = "MUSICA name";
+
+        auto status = ValidateSchema(object, { "type", SPECIES, MUSICA_NAME }, {});
+        if (status != ConfigParseStatus::Success)
         {
-          status = new_status;
+          return status;
         }
-        if (value.contains(YIELD))
+
+        std::string species = object["species"].get<std::string>();
+        json reactants_object{};
+        json products_object{};
+        products_object[species] = { { "yield", 1.0 } };
+
+        auto reactants = ParseReactants(reactants_object);
+        auto products = ParseProducts(products_object);
+
+        if (reactants.first != ConfigParseStatus::Success)
         {
-          products.push_back(std::make_pair(Species(key), value[YIELD]));
+          return reactants.first;
         }
-        else
+
+        if (products.first != ConfigParseStatus::Success)
         {
-          products.push_back(std::make_pair(Species(key), DEFAULT_YEILD));
+          return products.first;
         }
-      }
-      return std::make_pair(status, products);
-    }
 
-    ConfigParseStatus ParsePhotolysis(const json& object)
-    {
-      const std::string REACTANTS = "reactants";
-      const std::string PRODUCTS = "products";
-      const std::string MUSICA_NAME = "MUSICA name";
+        std::string name = "EMIS." + object[MUSICA_NAME].get<std::string>();
 
-      auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, {});
-      if (status != ConfigParseStatus::Success)
-      {
-        return status;
-      }
+        user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
 
-      auto reactants = ParseReactants(object[REACTANTS]);
-      auto products = ParseProducts(object[PRODUCTS]);
+        std::unique_ptr<UserDefinedRateConstant> rate_ptr =
+          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
+        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
-      if (reactants.first != ConfigParseStatus::Success)
-      {
-        return reactants.first;
+        return ConfigParseStatus::Success;
       }
 
-      if (products.first != ConfigParseStatus::Success)
+      ConfigParseStatus ParseFirstOrderLoss(const json& object)
       {
-        return products.first;
-      }
+        const std::string SPECIES = "species";
+        const std::string MUSICA_NAME = "MUSICA name";
 
-      std::string name = "PHOTO." + object[MUSICA_NAME].get<std::string>();
+        auto status = ValidateSchema(object, { "type", SPECIES, MUSICA_NAME }, {});
+        if (status != ConfigParseStatus::Success)
+        {
+          return status;
+        }
 
-      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
+        std::string species = object["species"].get<std::string>();
+        json reactants_object{};
+        json products_object{};
+        reactants_object[species] = { {} };
 
-      std::unique_ptr<UserDefinedRateConstant> rate_ptr =
-          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
-      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
+        auto reactants = ParseReactants(reactants_object);
+        auto products = ParseProducts(products_object);
 
-      return ConfigParseStatus::Success;
-    }
+        if (reactants.first != ConfigParseStatus::Success)
+        {
+          return reactants.first;
+        }
 
-    ConfigParseStatus ParseArrhenius(const json& object)
-    {
-      const std::string REACTANTS = "reactants";
-      const std::string PRODUCTS = "products";
+        if (products.first != ConfigParseStatus::Success)
+        {
+          return products.first;
+        }
 
-      auto status =
-          ValidateSchema(object, { "type", REACTANTS, PRODUCTS }, { "A", "B", "C", "D", "E", "Ea", "MUSICA name" });
-      if (status != ConfigParseStatus::Success)
-      {
-        return status;
-      }
+        std::string name = "LOSS." + object[MUSICA_NAME].get<std::string>();
 
-      auto reactants = ParseReactants(object[REACTANTS]);
-      auto products = ParseProducts(object[PRODUCTS]);
+        user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
 
-      if (reactants.first != ConfigParseStatus::Success)
-      {
-        return reactants.first;
-      }
+        std::unique_ptr<UserDefinedRateConstant> rate_ptr =
+          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
+        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
-      if (products.first != ConfigParseStatus::Success)
-      {
-        return products.first;
+        return ConfigParseStatus::Success;
       }
 
-      ArrheniusRateConstantParameters parameters;
-      if (object.contains("A"))
-      {
-        parameters.A_ = object["A"].get<double>();
-      }
-      if (object.contains("B"))
-      {
-        parameters.B_ = object["B"].get<double>();
-      }
-      if (object.contains("C"))
-      {
-        parameters.C_ = object["C"].get<double>();
-      }
-      if (object.contains("D"))
-      {
-        parameters.D_ = object["D"].get<double>();
-      }
-      if (object.contains("E"))
-      {
-        parameters.E_ = object["E"].get<double>();
-      }
-      if (object.contains("Ea"))
+      ConfigParseStatus ParseArrhenius(const json& object)
       {
+        const std::string REACTANTS = "reactants";
+        const std::string PRODUCTS = "products";
+
+        auto status =
+          ValidateSchema(object, { "type", REACTANTS, PRODUCTS }, { "A", "B", "C", "D", "E", "Ea", "MUSICA name" });
+        if (status != ConfigParseStatus::Success)
+        {
+          return status;
+        }
+
+        auto reactants = ParseReactants(object[REACTANTS]);
+        auto products = ParseProducts(object[PRODUCTS]);
+
+        if (reactants.first != ConfigParseStatus::Success)
+        {
+          return reactants.first;
+        }
+
+        if (products.first != ConfigParseStatus::Success)
+        {
+          return products.first;
+        }
+
+        ArrheniusRateConstantParameters parameters;
+        if (object.contains("A"))
+        {
+          parameters.A_ = object["A"].get<double>();
+        }
+        if (object.contains("B"))
+        {
+          parameters.B_ = object["B"].get<double>();
+        }
+        if (object.contains("C"))
+        {
+          parameters.C_ = object["C"].get<double>();
+        }
+        if (object.contains("D"))
+        {
+          parameters.D_ = object["D"].get<double>();
+        }
+        if (object.contains("E"))
+        {
+          parameters.E_ = object["E"].get<double>();
+        }
+        if (object.contains("Ea"))
+        {
         if (parameters.C_ != 0)
         {
           std::cerr << "Ea is specified when C is also specified for an Arrhenius reaction. Pick one." << std::endl;
           return ConfigParseStatus::MutuallyExclusiveOption;
         }
-        // Calculate 'C' using 'Ea'
-        parameters.C_ = -1 * object["Ea"].get<double>() / BOLTZMANN_CONSTANT;
-      }
-
-      arrhenius_rate_arr_.push_back(ArrheniusRateConstant(parameters));
+          // Calculate 'C' using 'Ea'
+          parameters.C_ = -1 * object["Ea"].get<double>() / BOLTZMANN_CONSTANT;
+        }
 
-      std::unique_ptr<ArrheniusRateConstant> rate_ptr = std::make_unique<ArrheniusRateConstant>(parameters);
+        arrhenius_rate_arr_.push_back(ArrheniusRateConstant(parameters));
+ 
+        std::unique_ptr<ArrheniusRateConstant> rate_ptr = std::make_unique<ArrheniusRateConstant>(parameters);
 
-      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
+        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
-      return ConfigParseStatus::Success;
-    }
+        return ConfigParseStatus::Success;
+      }
 
-    ConfigParseStatus ParseBranched(const json& object)
-    {
-      const std::string REACTANTS = "reactants";
-      const std::string ALKOXY_PRODUCTS = "alkoxy products";
-      const std::string NITRATE_PRODUCTS = "nitrate products";
-      const std::string X = "X";
-      const std::string Y = "Y";
-      const std::string A0 = "a0";
-      const std::string N = "n";
-
-      auto status = ValidateSchema(object, { "type", REACTANTS, ALKOXY_PRODUCTS, NITRATE_PRODUCTS, X, Y, A0, N }, {});
-      if (status != ConfigParseStatus::Success)
+      ConfigParseStatus ParseTroe(const json& object)
       {
-        return status;
-      }
+        const std::string REACTANTS = "reactants";
+        const std::string PRODUCTS = "products";
 
-      auto reactants = ParseReactants(object[REACTANTS]);
-      auto alkoxy_products = ParseProducts(object[ALKOXY_PRODUCTS]);
-      auto nitrate_products = ParseProducts(object[NITRATE_PRODUCTS]);
+        auto status = ValidateSchema(
+          object, { "type", REACTANTS, PRODUCTS }, { "k0_A", "k0_B", "k0_C", "kinf_A", "kinf_B", "kinf_C", "Fc", "N" });
+        if (status != ConfigParseStatus::Success)
+        {
+          return status;
+        }
 
-      if (reactants.first != ConfigParseStatus::Success)
-      {
-        return reactants.first;
-      }
-      if (alkoxy_products.first != ConfigParseStatus::Success)
-      {
-        return alkoxy_products.first;
-      }
-      if (nitrate_products.first != ConfigParseStatus::Success)
-      {
-        return nitrate_products.first;
-      }
+        auto reactants = ParseReactants(object[REACTANTS]);
+        auto products = ParseProducts(object[PRODUCTS]);
 
-      BranchedRateConstantParameters parameters;
-      parameters.X_ = object[X].get<double>();
-      parameters.Y_ = object[Y].get<double>();
-      parameters.a0_ = object[A0].get<double>();
-      parameters.n_ = object[N].get<int>();
+        if (reactants.first != ConfigParseStatus::Success)
+        {
+          return reactants.first;
+        }
 
-      // Alkoxy branch
-      parameters.branch_ = BranchedRateConstantParameters::Branch::Alkoxy;
-      branched_rate_arr_.push_back(BranchedRateConstant(parameters));
-      std::unique_ptr<BranchedRateConstant> rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
-      processes_.push_back(Process(reactants.second, alkoxy_products.second, std::move(rate_ptr), gas_phase_));
+        if (products.first != ConfigParseStatus::Success)
+        {
+          return products.first;
+        }
 
-      // Nitrate branch
-      parameters.branch_ = BranchedRateConstantParameters::Branch::Nitrate;
-      branched_rate_arr_.push_back(BranchedRateConstant(parameters));
-      rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
-      processes_.push_back(Process(reactants.second, nitrate_products.second, std::move(rate_ptr), gas_phase_));
+        TroeRateConstantParameters parameters;
+        if (object.contains("k0_A"))
+        {
+          parameters.k0_A_ = object["k0_A"].get<double>();
+        }
+        if (object.contains("k0_B"))
+        {
+          parameters.k0_B_ = object["k0_B"].get<double>();
+        }
+        if (object.contains("k0_C"))
+        {
+          parameters.k0_C_ = object["k0_C"].get<double>();
+        }
+        if (object.contains("kinf_A"))
+        {
+          parameters.kinf_A_ = object["kinf_A"].get<double>();
+        }
+        if (object.contains("kinf_B"))
+        {
+          parameters.kinf_B_ = object["kinf_B"].get<double>();
+        }
+        if (object.contains("kinf_C"))
+        {
+          parameters.kinf_C_ = object["kinf_C"].get<double>();
+        }
+        if (object.contains("Fc"))
+        {
+          parameters.Fc_ = object["Fc"].get<double>();
+        }
+        if (object.contains("N"))
+        {
+          parameters.N_ = object["N"].get<double>();
+        }
 
-      return ConfigParseStatus::Success;
-    }
+        troe_rate_arr_.push_back(TroeRateConstant(parameters));
 
-    ConfigParseStatus ParseTroe(const json& object)
-    {
-      const std::string REACTANTS = "reactants";
-      const std::string PRODUCTS = "products";
+        std::unique_ptr<TroeRateConstant> rate_ptr = std::make_unique<TroeRateConstant>(parameters);
 
-      auto status = ValidateSchema(
-          object, { "type", REACTANTS, PRODUCTS }, { "k0_A", "k0_B", "k0_C", "kinf_A", "kinf_B", "kinf_C", "Fc", "N" });
-      if (status != ConfigParseStatus::Success)
-      {
-        return status;
-      }
+        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
-      auto reactants = ParseReactants(object[REACTANTS]);
-      auto products = ParseProducts(object[PRODUCTS]);
-      if (reactants.first != ConfigParseStatus::Success)
-      {
-        return reactants.first;
-      }
-      if (products.first != ConfigParseStatus::Success)
-      {
-        return products.first;
+        return ConfigParseStatus::Success;
       }
 
-      TroeRateConstantParameters parameters;
-      if (object.contains("k0_A"))
-      {
-        parameters.k0_A_ = object["k0_A"].get<double>();
-      }
-      if (object.contains("k0_B"))
-      {
-        parameters.k0_B_ = object["k0_B"].get<double>();
-      }
-      if (object.contains("k0_C"))
-      {
-        parameters.k0_C_ = object["k0_C"].get<double>();
-      }
-      if (object.contains("kinf_A"))
-      {
-        parameters.kinf_A_ = object["kinf_A"].get<double>();
-      }
-      if (object.contains("kinf_B"))
+      ConfigParseStatus ParseTernaryChemicalActivation(const json& object)
       {
-        parameters.kinf_B_ = object["kinf_B"].get<double>();
-      }
-      if (object.contains("kinf_C"))
-      {
-        parameters.kinf_C_ = object["kinf_C"].get<double>();
-      }
-      if (object.contains("Fc"))
-      {
-        parameters.Fc_ = object["Fc"].get<double>();
-      }
-      if (object.contains("N"))
-      {
-        parameters.N_ = object["N"].get<double>();
-      }
-
-      troe_rate_arr_.push_back(TroeRateConstant(parameters));
-
-      std::unique_ptr<TroeRateConstant> rate_ptr = std::make_unique<TroeRateConstant>(parameters);
-
-      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
-
-      return ConfigParseStatus::Success;
-    }
-
-    ConfigParseStatus ParseTernaryChemicalActivation(const json& object)
-    {
-      const std::string REACTANTS = "reactants";
-      const std::string PRODUCTS = "products";
+        const std::string REACTANTS = "reactants";
+        const std::string PRODUCTS = "products";
 
-      auto status = ValidateSchema(
+        auto status = ValidateSchema(
           object, { "type", REACTANTS, PRODUCTS }, { "k0_A", "k0_B", "k0_C", "kinf_A", "kinf_B", "kinf_C", "Fc", "N" });
-      if (status != ConfigParseStatus::Success)
-      {
-        return status;
-      }
+        if (status != ConfigParseStatus::Success)
+        {
+          return status;
+        }
 
-      auto reactants = ParseReactants(object[REACTANTS]);
-      auto products = ParseProducts(object[PRODUCTS]);
-      if (reactants.first != ConfigParseStatus::Success)
-      {
-        return reactants.first;
-      }
-      if (products.first != ConfigParseStatus::Success)
-      {
-        return products.first;
-      }
+        auto reactants = ParseReactants(object[REACTANTS]);
+        auto products = ParseProducts(object[PRODUCTS]);
 
-      TernaryChemicalActivationRateConstantParameters parameters;
-      if (object.contains("k0_A"))
-      {
-        parameters.k0_A_ = object["k0_A"].get<double>();
-      }
-      if (object.contains("k0_B"))
-      {
-        parameters.k0_B_ = object["k0_B"].get<double>();
-      }
-      if (object.contains("k0_C"))
-      {
-        parameters.k0_C_ = object["k0_C"].get<double>();
-      }
-      if (object.contains("kinf_A"))
-      {
-        parameters.kinf_A_ = object["kinf_A"].get<double>();
-      }
-      if (object.contains("kinf_B"))
-      {
-        parameters.kinf_B_ = object["kinf_B"].get<double>();
-      }
-      if (object.contains("kinf_C"))
-      {
-        parameters.kinf_C_ = object["kinf_C"].get<double>();
-      }
-      if (object.contains("Fc"))
-      {
-        parameters.Fc_ = object["Fc"].get<double>();
-      }
-      if (object.contains("N"))
-      {
-        parameters.N_ = object["N"].get<double>();
-      }
+        if (reactants.first != ConfigParseStatus::Success)
+        {
+          return reactants.first;
+        }
 
-      ternary_rate_arr_.push_back(TernaryChemicalActivationRateConstant(parameters));
+        if (products.first != ConfigParseStatus::Success)
+        {
+          return products.first;
+        }
 
-      std::unique_ptr<TernaryChemicalActivationRateConstant> rate_ptr =
-          std::make_unique<TernaryChemicalActivationRateConstant>(parameters);
+        TernaryChemicalActivationRateConstantParameters parameters;
+        if (object.contains("k0_A"))
+        {
+          parameters.k0_A_ = object["k0_A"].get<double>();
+        }
+        if (object.contains("k0_B"))
+        {
+          parameters.k0_B_ = object["k0_B"].get<double>();
+        }
+        if (object.contains("k0_C"))
+        {
+          parameters.k0_C_ = object["k0_C"].get<double>();
+        }
+        if (object.contains("kinf_A"))
+        {
+          parameters.kinf_A_ = object["kinf_A"].get<double>();
+        }
+        if (object.contains("kinf_B"))
+        {
+          parameters.kinf_B_ = object["kinf_B"].get<double>();
+        }
+        if (object.contains("kinf_C"))
+        {
+          parameters.kinf_C_ = object["kinf_C"].get<double>();
+        }
+        if (object.contains("Fc"))
+        {
+          parameters.Fc_ = object["Fc"].get<double>();
+        }
+        if (object.contains("N"))
+        {
+          parameters.N_ = object["N"].get<double>();
+        }
 
-      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
+        ternary_rate_arr_.push_back(TernaryChemicalActivationRateConstant(parameters));
 
-      return ConfigParseStatus::Success;
-    }
+        std::unique_ptr<TernaryChemicalActivationRateConstant> rate_ptr =
+          std::make_unique<TernaryChemicalActivationRateConstant>(parameters);
 
-    ConfigParseStatus ParseTunneling(const json& object)
-    {
-      const std::string REACTANTS = "reactants";
-      const std::string PRODUCTS = "products";
+        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
-      auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS }, { "A", "B", "C" });
-      if (status != ConfigParseStatus::Success)
-      {
-        return status;
+        return ConfigParseStatus::Success;
       }
 
-      auto reactants = ParseReactants(object[REACTANTS]);
-      auto products = ParseProducts(object[PRODUCTS]);
-      if (reactants.first != ConfigParseStatus::Success)
-      {
-        return reactants.first;
-      }
-      if (products.first != ConfigParseStatus::Success)
+      ConfigParseStatus ParseBranched(const json& object)
       {
-        return products.first;
-      }
+        const std::string REACTANTS = "reactants";
+        const std::string ALKOXY_PRODUCTS = "alkoxy products";
+        const std::string NITRATE_PRODUCTS = "nitrate products";
+        const std::string X = "X";
+        const std::string Y = "Y";
+        const std::string A0 = "a0";
+        const std::string N = "n";
 
-      TunnelingRateConstantParameters parameters;
-      if (object.contains("A"))
-      {
-        parameters.A_ = object["A"].get<double>();
-      }
-      if (object.contains("B"))
-      {
-        parameters.B_ = object["B"].get<double>();
-      }
-      if (object.contains("C"))
-      {
-        parameters.C_ = object["C"].get<double>();
-      }
+        auto status = ValidateSchema(object, { "type", REACTANTS, ALKOXY_PRODUCTS, NITRATE_PRODUCTS, X, Y, A0, N }, {});
+        if (status != ConfigParseStatus::Success)
+        {
+          return status;
+        }
 
-      tunneling_rate_arr_.push_back(TunnelingRateConstant(parameters));
+        auto reactants = ParseReactants(object[REACTANTS]);
+        auto alkoxy_products = ParseProducts(object[ALKOXY_PRODUCTS]);
+        auto nitrate_products = ParseProducts(object[NITRATE_PRODUCTS]);
 
-      std::unique_ptr<TunnelingRateConstant> rate_ptr = std::make_unique<TunnelingRateConstant>(parameters);
+        if (reactants.first != ConfigParseStatus::Success)
+        {
+          return reactants.first;
+        }
 
-      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
+        if (alkoxy_products.first != ConfigParseStatus::Success)
+        {
+          return alkoxy_products.first;
+        }
 
-      return ConfigParseStatus::Success;
-    }
+        if (nitrate_products.first != ConfigParseStatus::Success)
+        {
+          return nitrate_products.first;
+        }
 
-    ConfigParseStatus ParseEmission(const json& object)
-    {
-      const std::string SPECIES = "species";
-      const std::string MUSICA_NAME = "MUSICA name";
+        BranchedRateConstantParameters parameters;
+        parameters.X_ = object[X].get<double>();
+        parameters.Y_ = object[Y].get<double>();
+        parameters.a0_ = object[A0].get<double>();
+        parameters.n_ = object[N].get<int>();
 
-      auto status = ValidateSchema(object, { "type", SPECIES, MUSICA_NAME }, {});
-      if (status != ConfigParseStatus::Success)
-      {
-        return status;
-      }
+        // Alkoxy branch
+        parameters.branch_ = BranchedRateConstantParameters::Branch::Alkoxy;
+        branched_rate_arr_.push_back(BranchedRateConstant(parameters));
+        std::unique_ptr<BranchedRateConstant> rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
+        processes_.push_back(Process(reactants.second, alkoxy_products.second, std::move(rate_ptr), gas_phase_));
 
-      std::string species = object["species"].get<std::string>();
-      json reactants_object{};
-      json products_object{};
-      products_object[species] = { { "yield", 1.0 } };
-      auto reactants = ParseReactants(reactants_object);
-      auto products = ParseProducts(products_object);
-      if (reactants.first != ConfigParseStatus::Success)
-      {
-        return reactants.first;
+        // Nitrate branch
+        parameters.branch_ = BranchedRateConstantParameters::Branch::Nitrate;
+        branched_rate_arr_.push_back(BranchedRateConstant(parameters));
+        rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
+        processes_.push_back(Process(reactants.second, nitrate_products.second, std::move(rate_ptr), gas_phase_));
+
+        return ConfigParseStatus::Success;
       }
-      if (products.first != ConfigParseStatus::Success)
+
+      ConfigParseStatus ParseTunneling(const json& object)
       {
-        return products.first;
-      }
+        const std::string REACTANTS = "reactants";
+        const std::string PRODUCTS = "products";
 
-      std::string name = "EMIS." + object[MUSICA_NAME].get<std::string>();
+        auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS }, { "A", "B", "C" });
+        if (status != ConfigParseStatus::Success)
+        {
+          return status;
+        }
 
-      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
+        auto reactants = ParseReactants(object[REACTANTS]);
+        auto products = ParseProducts(object[PRODUCTS]);
 
-      std::unique_ptr<UserDefinedRateConstant> rate_ptr =
-          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
-      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
+        if (reactants.first != ConfigParseStatus::Success)
+        {
+          return reactants.first;
+        }
 
-      return ConfigParseStatus::Success;
-    }
+        if (products.first != ConfigParseStatus::Success)
+        {
+          return products.first;
+        }
 
-    ConfigParseStatus ParseFirstOrderLoss(const json& object)
-    {
-      const std::string SPECIES = "species";
-      const std::string MUSICA_NAME = "MUSICA name";
+        TunnelingRateConstantParameters parameters;
+        if (object.contains("A"))
+        {
+          parameters.A_ = object["A"].get<double>();
+        }
+        if (object.contains("B"))
+        {
+          parameters.B_ = object["B"].get<double>();
+        }
+        if (object.contains("C"))
+        {
+          parameters.C_ = object["C"].get<double>();
+        }
 
-      auto status = ValidateSchema(object, { "type", SPECIES, MUSICA_NAME }, {});
-      if (status != ConfigParseStatus::Success)
-      {
-        return status;
-      }
+        tunneling_rate_arr_.push_back(TunnelingRateConstant(parameters));
 
-      std::string species = object["species"].get<std::string>();
-      json reactants_object{};
-      json products_object{};
-      reactants_object[species] = {};
-      auto reactants = ParseReactants(reactants_object);
-      auto products = ParseProducts(products_object);
-      if (reactants.first != ConfigParseStatus::Success)
-      {
-        return reactants.first;
-      }
-      if (products.first != ConfigParseStatus::Success)
-      {
-        return products.first;
-      }
+        std::unique_ptr<TunnelingRateConstant> rate_ptr = std::make_unique<TunnelingRateConstant>(parameters);
 
-      std::string name = "LOSS." + object[MUSICA_NAME].get<std::string>();
+        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
-      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
+        return ConfigParseStatus::Success;
+      }
 
-      std::unique_ptr<UserDefinedRateConstant> rate_ptr =
-          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
-      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
+      ConfigParseStatus ParseSurface(const json& object)
+      {
+        const std::string REACTANTS = "gas-phase reactant";
+        const std::string PRODUCTS = "gas-phase products";
+        const std::string MUSICA_NAME = "MUSICA name";
+        const std::string PROBABILITY = "reaction probability";
 
-      return ConfigParseStatus::Success;
-    }
+        auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, { PROBABILITY });
+        if (status != ConfigParseStatus::Success)
+        {
+          return status;
+        }
 
-    ConfigParseStatus ParseSurface(const json& object)
-    {
-      const std::string REACTANTS = "gas-phase reactant";
-      const std::string PRODUCTS = "gas-phase products";
-      const std::string MUSICA_NAME = "MUSICA name";
-      const std::string PROBABILITY = "reaction probability";
+        std::string species_name = object[REACTANTS].get<std::string>();
+        json reactants_object{};
+        reactants_object[species_name] = { {} };
 
-      auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, { PROBABILITY });
-      if (status != ConfigParseStatus::Success)
-      {
-        return status;
-      }
+        auto reactants = ParseReactants(reactants_object);
+        auto products = ParseProducts(object[PRODUCTS]);
 
-      std::string species_name = object[REACTANTS].get<std::string>();
-      json reactants_object{};
-      reactants_object[species_name] = {};
-      auto reactants = ParseReactants(reactants_object);
-      auto products = ParseProducts(object[PRODUCTS]);
-      if (reactants.first != ConfigParseStatus::Success)
-      {
-        return reactants.first;
-      }
-      if (products.first != ConfigParseStatus::Success)
-      {
-        return products.first;
-      }
+        if (reactants.first != ConfigParseStatus::Success)
+        {
+          return reactants.first;
+        }
 
-      Species reactant_species = Species("");
-      for (auto& species : species_arr_)
-      {
-        if (species.name_ == species_name)
+        if (products.first != ConfigParseStatus::Success)
         {
-          reactant_species = species;
-          break;
+          return products.first;
         }
-      }
-      SurfaceRateConstantParameters parameters{ .label_ = "SURF." + object[MUSICA_NAME].get<std::string>(),
-                                                .species_ = reactant_species };
 
-      if (object.contains(PROBABILITY))
-      {
-        parameters.reaction_probability_ = object[PROBABILITY].get<double>();
-      }
+        Species reactant_species = Species("");
+        for (auto& species : species_arr_)
+        {
+          if (species.name_ == species_name)
+          {
+            reactant_species = species;
+            break;
+          }
+        }
+        SurfaceRateConstantParameters parameters{ .label_ = "SURF." + object[MUSICA_NAME].get<std::string>(),
+                                                  .species_ = reactant_species };
 
-      surface_rate_arr_.push_back(SurfaceRateConstant(parameters));
+        if (object.contains(PROBABILITY))
+        {
+          parameters.reaction_probability_ = object[PROBABILITY].get<double>();
+        }
 
-      std::unique_ptr<SurfaceRateConstant> rate_ptr = std::make_unique<SurfaceRateConstant>(parameters);
-      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
+        surface_rate_arr_.push_back(SurfaceRateConstant(parameters));
 
-      return ConfigParseStatus::Success;
-    }
+        std::unique_ptr<SurfaceRateConstant> rate_ptr = std::make_unique<SurfaceRateConstant>(parameters);
+        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
+
+        return ConfigParseStatus::Success;
+      }
 
     /// @brief Search for nonstandard keys. Only nonstandard keys starting with __ are allowed. Others are considered typos
     /// @param object the object whose keys need to be validated
@@ -905,6 +944,14 @@ namespace micm
       // starting with __
       // anything else is reported as an error so that typos are caught, specifically for optional keys
 
+      // debug statement
+      // std::cout << "ValidateSchema object " << object.dump(4) << std::endl;
+
+      if (!object.empty() && object.begin().value().is_null())
+      {
+        return ConfigParseStatus::Success;
+      }
+
       std::vector<std::string> sorted_object_keys;
       for (auto& [key, value] : object.items())
         sorted_object_keys.push_back(key);
@@ -944,6 +991,7 @@ namespace micm
       {
         if (!key.starts_with("__"))
         {
+          std::cerr << "non-standard key " << key << std::endl;
           return ConfigParseStatus::ContainsNonStandardKey;
         }
       }
@@ -955,33 +1003,32 @@ namespace micm
   template<class ConfigTypePolicy = JsonReaderPolicy>
   class SolverConfig : public ConfigTypePolicy
   {
-   private:
-    ConfigParseStatus last_parse_status_ = ConfigParseStatus::None;
-
-   public:
-    /// @brief Reads and parses configures
-    /// @param config_dir A path to a configuration file
-    /// @return an enum indicating the success or failure of the parse
-    [[nodiscard]] ConfigParseStatus ReadAndParse(const std::filesystem::path& config_dir)
-    {
-      last_parse_status_ = this->Parse(config_dir);
-      return last_parse_status_;
-    }
+    private:
+      ConfigParseStatus last_parse_status_ = ConfigParseStatus::None;
 
-    /// @brief Creates and returns SolverParameters
-    /// @return SolverParameters that contains 'System' and a collection of 'Process'
-    SolverParameters GetSolverParams()
-    {
-      if (last_parse_status_ != ConfigParseStatus::Success)
+    public:
+      /// @brief Reads and parses configures
+      /// @param config_dir Path to a the configuration directory
+      /// @return an enum indicating the success or failure of the parse
+      [[nodiscard]] ConfigParseStatus ReadAndParse(const std::filesystem::path& config_dir)
       {
-        std::string msg = "Parsing configuration files failed. The parsing failed with error: " +
-                          configParseStatusToString(last_parse_status_);
-        throw std::runtime_error(msg);
+        last_parse_status_ = this->Parse(config_dir);
+        return last_parse_status_;
       }
 
-      return SolverParameters(
+      /// @brief Creates and returns SolverParameters
+      /// @return SolverParameters that contains 'System' and a collection of 'Process'
+      SolverParameters GetSolverParams()
+      {
+        if (last_parse_status_ != ConfigParseStatus::Success)
+        {
+          std::string msg = "Parsing configuration files failed. The parsing failed with error: " +
+                            configParseStatusToString(last_parse_status_);
+          throw std::runtime_error(msg);
+        }
+
+        return SolverParameters(
           std::move(System(std::move(this->gas_phase_), std::move(this->phases_))), std::move(this->processes_));
-    }
+      }
   };
-
 }  // namespace micm
diff --git a/test/unit/configure/CMakeLists.txt b/test/unit/configure/CMakeLists.txt
index d8a571056..0ff3e452e 100644
--- a/test/unit/configure/CMakeLists.txt
+++ b/test/unit/configure/CMakeLists.txt
@@ -7,7 +7,6 @@ include(test_util)
 # Tests
 
 create_standard_test(NAME solver_config SOURCES test_solver_config.cpp)
-create_standard_test(NAME camp_config SOURCES test_camp_config.cpp)
 
 ################################################################################
 # Tests
diff --git a/test/unit/configure/process/CMakeLists.txt b/test/unit/configure/process/CMakeLists.txt
index 4043124d2..437d7f4ac 100644
--- a/test/unit/configure/process/CMakeLists.txt
+++ b/test/unit/configure/process/CMakeLists.txt
@@ -16,12 +16,3 @@ create_standard_test(NAME ternary_chemical_activation_config SOURCES test_ternar
 create_standard_test(NAME troe_config SOURCES test_troe_config.cpp)
 create_standard_test(NAME tunneling_config SOURCES test_tunneling_config.cpp)
 
-create_standard_test(NAME arrhenius_camp_config SOURCES test_arrhenius_camp_config.cpp)
-create_standard_test(NAME branched_camp_config SOURCES test_branched_camp_config.cpp)
-create_standard_test(NAME emission_camp_config SOURCES test_emission_camp_config.cpp)
-create_standard_test(NAME first_order_loss_camp_config SOURCES test_first_order_loss_camp_config.cpp)
-create_standard_test(NAME photolysis_camp_config SOURCES test_photolysis_camp_config.cpp)
-create_standard_test(NAME surface_camp_config SOURCES test_surface_camp_config.cpp)
-create_standard_test(NAME ternary_chemical_activation_camp_config SOURCES test_ternary_chemical_activation_camp_config.cpp)
-create_standard_test(NAME troe_camp_config SOURCES test_troe_camp_config.cpp)
-create_standard_test(NAME tunneling_camp_config SOURCES test_tunneling_camp_config.cpp)
diff --git a/test/unit/configure/process/test_arrhenius_camp_config.cpp b/test/unit/configure/process/test_arrhenius_camp_config.cpp
deleted file mode 100644
index 2b6b7aaf5..000000000
--- a/test/unit/configure/process/test_arrhenius_camp_config.cpp
+++ /dev/null
@@ -1,113 +0,0 @@
-#include <gtest/gtest.h>
-
-#include <micm/configure/camp_config.hpp>
-
-TEST(ArrheniusConfig, DetectsInvalidConfig)
-{
-  micm::SolverConfig solver_config;
-
-  // Read and parse the configure files
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/missing_reactants");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-  status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/missing_products");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-  status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/mutually_exclusive");
-  EXPECT_EQ(micm::ConfigParseStatus::MutuallyExclusiveOption, status);
-}
-
-TEST(ArrheniusConfig, ParseConfig)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/valid");
-  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
-
-  micm::SolverParameters solver_params = solver_config.GetSolverParams();
-
-  auto& process_vector = solver_params.processes_;
-
-  // first reaction
-  {
-    EXPECT_EQ(process_vector[0].reactants_.size(), 3);
-    EXPECT_EQ(process_vector[0].reactants_[0].name_, "foo");
-    EXPECT_EQ(process_vector[0].reactants_[1].name_, "quz");
-    EXPECT_EQ(process_vector[0].reactants_[2].name_, "quz");
-    EXPECT_EQ(process_vector[0].products_.size(), 2);
-    EXPECT_EQ(process_vector[0].products_[0].first.name_, "bar");
-    EXPECT_EQ(process_vector[0].products_[0].second, 1.0);
-    EXPECT_EQ(process_vector[0].products_[1].first.name_, "baz");
-    EXPECT_EQ(process_vector[0].products_[1].second, 3.2);
-    micm::ArrheniusRateConstant* ternary_rate_constant =
-        dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[0].rate_constant_.get());
-    auto& params = ternary_rate_constant->parameters_;
-    EXPECT_EQ(params.A_, 1.0);
-    EXPECT_EQ(params.B_, 0.0);
-    EXPECT_EQ(params.C_, 0.0);
-    EXPECT_EQ(params.D_, 300);
-    EXPECT_EQ(params.E_, 0.0);
-  }
-
-  // second reaction
-  {
-    EXPECT_EQ(process_vector[1].reactants_.size(), 2);
-    EXPECT_EQ(process_vector[1].reactants_[0].name_, "bar");
-    EXPECT_EQ(process_vector[1].reactants_[1].name_, "baz");
-    EXPECT_EQ(process_vector[1].products_.size(), 2);
-    EXPECT_EQ(process_vector[1].products_[0].first.name_, "bar");
-    EXPECT_EQ(process_vector[1].products_[0].second, 0.5);
-    EXPECT_EQ(process_vector[1].products_[1].first.name_, "foo");
-    EXPECT_EQ(process_vector[1].products_[1].second, 1.0);
-    micm::ArrheniusRateConstant* ternary_rate_constant =
-        dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[1].rate_constant_.get());
-    auto& params = ternary_rate_constant->parameters_;
-    EXPECT_EQ(params.A_, 32.1);
-    EXPECT_EQ(params.B_, -2.3);
-    EXPECT_EQ(params.C_, 102.3);
-    EXPECT_EQ(params.D_, 63.4);
-    EXPECT_EQ(params.E_, -1.3);
-  }
-
-  // third reaction
-  {
-    EXPECT_EQ(process_vector[2].reactants_.size(), 2);
-    EXPECT_EQ(process_vector[2].reactants_[0].name_, "bar");
-    EXPECT_EQ(process_vector[2].reactants_[1].name_, "baz");
-    EXPECT_EQ(process_vector[2].products_.size(), 2);
-    EXPECT_EQ(process_vector[2].products_[0].first.name_, "bar");
-    EXPECT_EQ(process_vector[2].products_[0].second, 0.5);
-    EXPECT_EQ(process_vector[2].products_[1].first.name_, "foo");
-    EXPECT_EQ(process_vector[2].products_[1].second, 1.0);
-    micm::ArrheniusRateConstant* ternary_rate_constant =
-        dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[2].rate_constant_.get());
-    auto& params = ternary_rate_constant->parameters_;
-    EXPECT_EQ(params.A_, 32.1);
-    EXPECT_EQ(params.B_, -2.3);
-    EXPECT_EQ(params.C_, -1 * 2e23 / BOLTZMANN_CONSTANT);
-    EXPECT_EQ(params.D_, 63.4);
-    EXPECT_EQ(params.E_, -1.3);
-  }
-}
-
-TEST(ArrheniusConfig, DetectsNonstandardKeys)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/contains_nonstandard_key");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
-
-TEST(ArrheniusConfig, DetectsNonstandardProductCoefficient)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/nonstandard_product_coef");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
-
-TEST(ArrheniusConfig, DetectsNonstandardReactantCoefficient)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/nonstandard_reactant_coef");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
diff --git a/test/unit/configure/process/test_branched_camp_config.cpp b/test/unit/configure/process/test_branched_camp_config.cpp
deleted file mode 100644
index 225b1a441..000000000
--- a/test/unit/configure/process/test_branched_camp_config.cpp
+++ /dev/null
@@ -1,131 +0,0 @@
-#include <gtest/gtest.h>
-
-#include <micm/configure/camp_config.hpp>
-
-TEST(BranchedConfig, DetectsInvalidConfig)
-{
-  micm::SolverConfig solver_config;
-
-  // Read and parse the configure files
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/branched/missing_reactants");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-  status = solver_config.ReadAndParse("./unit_configs/process/branched/missing_alkoxy_products");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-  status = solver_config.ReadAndParse("./unit_configs/process/branched/missing_nitrate_products");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-}
-
-TEST(BranchedConfig, ParseConfig)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/branched/valid");
-  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
-
-  micm::SolverParameters solver_params = solver_config.GetSolverParams();
-
-  auto& process_vector = solver_params.processes_;
-  EXPECT_EQ(process_vector.size(), 4);
-
-  // first reaction
-  {
-    EXPECT_EQ(process_vector[0].reactants_.size(), 3);
-    EXPECT_EQ(process_vector[0].reactants_[0].name_, "foo");
-    EXPECT_EQ(process_vector[0].reactants_[1].name_, "quz");
-    EXPECT_EQ(process_vector[0].reactants_[2].name_, "quz");
-    EXPECT_EQ(process_vector[0].products_.size(), 2);
-    EXPECT_EQ(process_vector[0].products_[0].first.name_, "bar");
-    EXPECT_EQ(process_vector[0].products_[0].second, 1.0);
-    EXPECT_EQ(process_vector[0].products_[1].first.name_, "baz");
-    EXPECT_EQ(process_vector[0].products_[1].second, 3.2);
-    micm::BranchedRateConstant* branched_rate_constant =
-        dynamic_cast<micm::BranchedRateConstant*>(process_vector[0].rate_constant_.get());
-    auto& params = branched_rate_constant->parameters_;
-    EXPECT_EQ(params.X_, 12.3);
-    EXPECT_EQ(params.Y_, 42.3);
-    EXPECT_EQ(params.a0_, 1.0e-5);
-    EXPECT_EQ(params.n_, 3);
-    EXPECT_EQ(params.branch_, micm::BranchedRateConstantParameters::Branch::Alkoxy);
-  }
-  {
-    EXPECT_EQ(process_vector[1].reactants_.size(), 3);
-    EXPECT_EQ(process_vector[1].reactants_[0].name_, "foo");
-    EXPECT_EQ(process_vector[1].reactants_[1].name_, "quz");
-    EXPECT_EQ(process_vector[1].reactants_[2].name_, "quz");
-    EXPECT_EQ(process_vector[1].products_.size(), 1);
-    EXPECT_EQ(process_vector[1].products_[0].first.name_, "quz");
-    EXPECT_EQ(process_vector[1].products_[0].second, 1.0);
-    micm::BranchedRateConstant* branched_rate_constant =
-        dynamic_cast<micm::BranchedRateConstant*>(process_vector[1].rate_constant_.get());
-    auto& params = branched_rate_constant->parameters_;
-    EXPECT_EQ(params.X_, 12.3);
-    EXPECT_EQ(params.Y_, 42.3);
-    EXPECT_EQ(params.a0_, 1.0e-5);
-    EXPECT_EQ(params.n_, 3);
-    EXPECT_EQ(params.branch_, micm::BranchedRateConstantParameters::Branch::Nitrate);
-  }
-
-  // second reaction
-  {
-    EXPECT_EQ(process_vector[2].reactants_.size(), 2);
-    EXPECT_EQ(process_vector[2].reactants_[0].name_, "bar");
-    EXPECT_EQ(process_vector[2].reactants_[1].name_, "baz");
-    EXPECT_EQ(process_vector[2].products_.size(), 1);
-    EXPECT_EQ(process_vector[2].products_[0].first.name_, "baz");
-    EXPECT_EQ(process_vector[2].products_[0].second, 1.0);
-    micm::BranchedRateConstant* branched_rate_constant =
-        dynamic_cast<micm::BranchedRateConstant*>(process_vector[2].rate_constant_.get());
-    auto& params = branched_rate_constant->parameters_;
-    EXPECT_EQ(params.X_, 0.32);
-    EXPECT_EQ(params.Y_, 2.3e8);
-    EXPECT_EQ(params.a0_, 0.423);
-    EXPECT_EQ(params.n_, 6);
-    EXPECT_EQ(params.branch_, micm::BranchedRateConstantParameters::Branch::Alkoxy);
-  }
-  {
-    EXPECT_EQ(process_vector[3].reactants_.size(), 2);
-    EXPECT_EQ(process_vector[3].reactants_[0].name_, "bar");
-    EXPECT_EQ(process_vector[3].reactants_[1].name_, "baz");
-    EXPECT_EQ(process_vector[3].products_.size(), 2);
-    EXPECT_EQ(process_vector[3].products_[0].first.name_, "bar");
-    EXPECT_EQ(process_vector[3].products_[0].second, 0.5);
-    EXPECT_EQ(process_vector[3].products_[1].first.name_, "foo");
-    EXPECT_EQ(process_vector[3].products_[1].second, 1.0);
-    micm::BranchedRateConstant* branched_rate_constant =
-        dynamic_cast<micm::BranchedRateConstant*>(process_vector[3].rate_constant_.get());
-    auto& params = branched_rate_constant->parameters_;
-    EXPECT_EQ(params.X_, 0.32);
-    EXPECT_EQ(params.Y_, 2.3e8);
-    EXPECT_EQ(params.a0_, 0.423);
-    EXPECT_EQ(params.n_, 6);
-    EXPECT_EQ(params.branch_, micm::BranchedRateConstantParameters::Branch::Nitrate);
-  }
-}
-
-TEST(BranchedConfig, DetectsNonstandardKeys)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/branched/contains_nonstandard_key");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
-
-TEST(BranchedConfig, DetectsNonstandardProductCoefficient)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status =
-      solver_config.ReadAndParse("./unit_configs/process/branched/nonstandard_alkoxy_product_coef");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-
-  status = solver_config.ReadAndParse("./unit_configs/process/branched/nonstandard_nitrate_product_coef");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
-
-TEST(BranchedConfig, DetectsNonstandardReactantCoefficient)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/branched/nonstandard_reactant_coef");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
diff --git a/test/unit/configure/process/test_emission_camp_config.cpp b/test/unit/configure/process/test_emission_camp_config.cpp
deleted file mode 100644
index e820f54d0..000000000
--- a/test/unit/configure/process/test_emission_camp_config.cpp
+++ /dev/null
@@ -1,58 +0,0 @@
-#include <gtest/gtest.h>
-
-#include <micm/configure/camp_config.hpp>
-
-TEST(EmissionConfig, DetectsInvalidConfig)
-{
-  micm::SolverConfig solver_config;
-
-  // Read and parse the configure files
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/emission/missing_products");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-  status = solver_config.ReadAndParse("./unit_configs/process/emission/missing_MUSICA_name");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-}
-
-TEST(EmissionConfig, ParseConfig)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/emission/valid");
-  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
-
-  micm::SolverParameters solver_params = solver_config.GetSolverParams();
-
-  auto& process_vector = solver_params.processes_;
-
-  // first reaction
-  {
-    EXPECT_EQ(process_vector[0].reactants_.size(), 0);
-    EXPECT_EQ(process_vector[0].products_.size(), 1);
-    EXPECT_EQ(process_vector[0].products_[0].first.name_, "foo");
-    EXPECT_EQ(process_vector[0].products_[0].second, 1.0);
-    micm::UserDefinedRateConstant* emission_rate_constant =
-        dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[0].rate_constant_.get());
-    EXPECT_EQ(emission_rate_constant->SizeCustomParameters(), 1);
-    EXPECT_EQ(emission_rate_constant->CustomParameters()[0], "EMIS.foo");
-  }
-
-  // second reaction
-  {
-    EXPECT_EQ(process_vector[1].reactants_.size(), 0);
-    EXPECT_EQ(process_vector[1].products_.size(), 1);
-    EXPECT_EQ(process_vector[1].products_[0].first.name_, "bar");
-    EXPECT_EQ(process_vector[1].products_[0].second, 1.0);
-    micm::UserDefinedRateConstant* emission_rate_constant =
-        dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[1].rate_constant_.get());
-    EXPECT_EQ(emission_rate_constant->SizeCustomParameters(), 1);
-    EXPECT_EQ(emission_rate_constant->CustomParameters()[0], "EMIS.bar");
-  }
-}
-
-TEST(EmissionConfig, DetectsNonstandardKeys)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/emission/contains_nonstandard_key");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
diff --git a/test/unit/configure/process/test_first_order_loss_camp_config.cpp b/test/unit/configure/process/test_first_order_loss_camp_config.cpp
deleted file mode 100644
index 300b2561b..000000000
--- a/test/unit/configure/process/test_first_order_loss_camp_config.cpp
+++ /dev/null
@@ -1,57 +0,0 @@
-#include <gtest/gtest.h>
-
-#include <micm/configure/camp_config.hpp>
-
-TEST(FirstOrderLossConfig, DetectsInvalidConfig)
-{
-  micm::SolverConfig solver_config;
-
-  // Read and parse the configure files
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/first_order_loss/missing_reactants");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-  status = solver_config.ReadAndParse("./unit_configs/process/first_order_loss/missing_MUSICA_name");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-}
-
-TEST(FirstOrderLossConfig, ParseConfig)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/first_order_loss/valid");
-  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
-
-  micm::SolverParameters solver_params = solver_config.GetSolverParams();
-
-  auto& process_vector = solver_params.processes_;
-
-  // first reaction
-  {
-    EXPECT_EQ(process_vector[0].reactants_.size(), 1);
-    EXPECT_EQ(process_vector[0].reactants_[0].name_, "foo");
-    EXPECT_EQ(process_vector[0].products_.size(), 0);
-    micm::UserDefinedRateConstant* first_order_loss_rate_constant =
-        dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[0].rate_constant_.get());
-    EXPECT_EQ(first_order_loss_rate_constant->SizeCustomParameters(), 1);
-    EXPECT_EQ(first_order_loss_rate_constant->CustomParameters()[0], "LOSS.foo");
-  }
-
-  // second reaction
-  {
-    EXPECT_EQ(process_vector[1].reactants_.size(), 1);
-    EXPECT_EQ(process_vector[1].reactants_[0].name_, "bar");
-    EXPECT_EQ(process_vector[1].products_.size(), 0);
-    micm::UserDefinedRateConstant* first_order_loss_rate_constant =
-        dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[1].rate_constant_.get());
-    EXPECT_EQ(first_order_loss_rate_constant->SizeCustomParameters(), 1);
-    EXPECT_EQ(first_order_loss_rate_constant->CustomParameters()[0], "LOSS.bar");
-  }
-}
-
-TEST(FirstOrderLossConfig, DetectsNonstandardKeys)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status =
-      solver_config.ReadAndParse("./unit_configs/process/first_order_loss/contains_nonstandard_key");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
diff --git a/test/unit/configure/process/test_photolysis_camp_config.cpp b/test/unit/configure/process/test_photolysis_camp_config.cpp
deleted file mode 100644
index 4a303d1e1..000000000
--- a/test/unit/configure/process/test_photolysis_camp_config.cpp
+++ /dev/null
@@ -1,82 +0,0 @@
-#include <gtest/gtest.h>
-
-#include <micm/configure/camp_config.hpp>
-
-TEST(PhotolysisConfig, DetectsInvalidConfig)
-{
-  micm::SolverConfig solver_config;
-
-  // Read and parse the configure files
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/photolysis/missing_reactants");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-  status = solver_config.ReadAndParse("./unit_configs/process/photolysis/missing_products");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-  status = solver_config.ReadAndParse("./unit_configs/process/photolysis/missing_MUSICA_name");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-}
-
-TEST(PhotolysisConfig, ParseConfig)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/photolysis/valid");
-  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
-
-  micm::SolverParameters solver_params = solver_config.GetSolverParams();
-
-  auto& process_vector = solver_params.processes_;
-
-  // first reaction
-  {
-    EXPECT_EQ(process_vector[0].reactants_.size(), 1);
-    EXPECT_EQ(process_vector[0].reactants_[0].name_, "foo");
-    EXPECT_EQ(process_vector[0].products_.size(), 2);
-    EXPECT_EQ(process_vector[0].products_[0].first.name_, "bar");
-    EXPECT_EQ(process_vector[0].products_[0].second, 1.0);
-    EXPECT_EQ(process_vector[0].products_[1].first.name_, "baz");
-    EXPECT_EQ(process_vector[0].products_[1].second, 3.2);
-    micm::UserDefinedRateConstant* photo_rate_constant =
-        dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[0].rate_constant_.get());
-    EXPECT_EQ(photo_rate_constant->SizeCustomParameters(), 1);
-    EXPECT_EQ(photo_rate_constant->CustomParameters()[0], "PHOTO.jfoo");
-  }
-
-  // second reaction
-  {
-    EXPECT_EQ(process_vector[1].reactants_.size(), 1);
-    EXPECT_EQ(process_vector[1].reactants_[0].name_, "bar");
-    EXPECT_EQ(process_vector[1].products_.size(), 2);
-    EXPECT_EQ(process_vector[1].products_[0].first.name_, "bar");
-    EXPECT_EQ(process_vector[1].products_[0].second, 0.5);
-    EXPECT_EQ(process_vector[1].products_[1].first.name_, "foo");
-    EXPECT_EQ(process_vector[1].products_[1].second, 1.0);
-    micm::UserDefinedRateConstant* photo_rate_constant =
-        dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[1].rate_constant_.get());
-    EXPECT_EQ(photo_rate_constant->SizeCustomParameters(), 1);
-    EXPECT_EQ(photo_rate_constant->CustomParameters()[0], "PHOTO.jbar");
-  }
-}
-
-TEST(PhotolysisConfig, DetectsNonstandardKeys)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/photolysis/contains_nonstandard_key");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
-
-TEST(PhotolysisConfig, DetectsNonstandardProductCoefficient)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/photolysis/nonstandard_product_coef");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
-
-TEST(PhotolysisConfig, DetectsNonstandardReactantCoefficient)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/photolysis/nonstandard_reactant_coef");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
diff --git a/test/unit/configure/process/test_surface_camp_config.cpp b/test/unit/configure/process/test_surface_camp_config.cpp
deleted file mode 100644
index b85e84a4d..000000000
--- a/test/unit/configure/process/test_surface_camp_config.cpp
+++ /dev/null
@@ -1,82 +0,0 @@
-#include <gtest/gtest.h>
-
-#include <micm/configure/camp_config.hpp>
-
-TEST(SurfaceConfig, DetectsInvalidConfig)
-{
-  micm::SolverConfig solver_config;
-
-  // Read and parse the configure files
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/surface/missing_reactants");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-  status = solver_config.ReadAndParse("./unit_configs/process/surface/missing_products");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-  status = solver_config.ReadAndParse("./unit_configs/process/surface/missing_MUSICA_name");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-}
-
-TEST(SurfaceConfig, ParseConfig)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/surface/valid");
-  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
-
-  micm::SolverParameters solver_params = solver_config.GetSolverParams();
-
-  auto& process_vector = solver_params.processes_;
-
-  // first reaction
-  {
-    EXPECT_EQ(process_vector[0].reactants_.size(), 1);
-    EXPECT_EQ(process_vector[0].reactants_[0].name_, "foo");
-    EXPECT_EQ(process_vector[0].products_.size(), 2);
-    EXPECT_EQ(process_vector[0].products_[0].first.name_, "bar");
-    EXPECT_EQ(process_vector[0].products_[0].second, 1.0);
-    EXPECT_EQ(process_vector[0].products_[1].first.name_, "baz");
-    EXPECT_EQ(process_vector[0].products_[1].second, 3.2);
-    micm::SurfaceRateConstant* surface_rate_constant =
-        dynamic_cast<micm::SurfaceRateConstant*>(process_vector[0].rate_constant_.get());
-    EXPECT_EQ(surface_rate_constant->SizeCustomParameters(), 2);
-    EXPECT_EQ(surface_rate_constant->CustomParameters()[0], "SURF.kfoo.effective radius [m]");
-    EXPECT_EQ(surface_rate_constant->CustomParameters()[1], "SURF.kfoo.particle number concentration [# m-3]");
-    EXPECT_EQ(surface_rate_constant->parameters_.reaction_probability_, 1.0);
-    EXPECT_EQ(surface_rate_constant->diffusion_coefficient_, 2.3e-4);
-    EXPECT_EQ(surface_rate_constant->mean_free_speed_factor_, 8.0 * GAS_CONSTANT / (M_PI * 0.123));
-  }
-
-  // second reaction
-  {
-    EXPECT_EQ(process_vector[1].reactants_.size(), 1);
-    EXPECT_EQ(process_vector[1].reactants_[0].name_, "bar");
-    EXPECT_EQ(process_vector[1].products_.size(), 2);
-    EXPECT_EQ(process_vector[1].products_[0].first.name_, "bar");
-    EXPECT_EQ(process_vector[1].products_[0].second, 0.5);
-    EXPECT_EQ(process_vector[1].products_[1].first.name_, "foo");
-    EXPECT_EQ(process_vector[1].products_[1].second, 1.0);
-    micm::SurfaceRateConstant* surface_rate_constant =
-        dynamic_cast<micm::SurfaceRateConstant*>(process_vector[1].rate_constant_.get());
-    EXPECT_EQ(surface_rate_constant->SizeCustomParameters(), 2);
-    EXPECT_EQ(surface_rate_constant->CustomParameters()[0], "SURF.kbar.effective radius [m]");
-    EXPECT_EQ(surface_rate_constant->CustomParameters()[1], "SURF.kbar.particle number concentration [# m-3]");
-    EXPECT_EQ(surface_rate_constant->parameters_.reaction_probability_, 0.5);
-    EXPECT_EQ(surface_rate_constant->diffusion_coefficient_, 0.4e-5);
-    EXPECT_EQ(surface_rate_constant->mean_free_speed_factor_, 8.0 * GAS_CONSTANT / (M_PI * 0.321));
-  }
-}
-
-TEST(SurfaceConfig, DetectsNonstandardKeys)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/surface/contains_nonstandard_key");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
-
-TEST(SurfaceConfig, DetectsNonstandardProductCoefficient)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/surface/nonstandard_product_coef");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
diff --git a/test/unit/configure/process/test_ternary_chemical_activation_camp_config.cpp b/test/unit/configure/process/test_ternary_chemical_activation_camp_config.cpp
deleted file mode 100644
index 64ad3ecd2..000000000
--- a/test/unit/configure/process/test_ternary_chemical_activation_camp_config.cpp
+++ /dev/null
@@ -1,101 +0,0 @@
-#include <gtest/gtest.h>
-
-#include <micm/configure/camp_config.hpp>
-
-TEST(TernaryChemicalActivationConfig, DetectsInvalidConfig)
-{
-  micm::SolverConfig solver_config;
-
-  // Read and parse the configure files
-  micm::ConfigParseStatus status =
-      solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/missing_reactants");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-  status = solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/missing_products");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-}
-
-TEST(TernaryChemicalActivationConfig, ParseConfig)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/valid");
-  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
-
-  micm::SolverParameters solver_params = solver_config.GetSolverParams();
-
-  auto& process_vector = solver_params.processes_;
-
-  // first reaction
-  {
-    EXPECT_EQ(process_vector[0].reactants_.size(), 3);
-    EXPECT_EQ(process_vector[0].reactants_[0].name_, "foo");
-    EXPECT_EQ(process_vector[0].reactants_[1].name_, "quz");
-    EXPECT_EQ(process_vector[0].reactants_[2].name_, "quz");
-    EXPECT_EQ(process_vector[0].products_.size(), 2);
-    EXPECT_EQ(process_vector[0].products_[0].first.name_, "bar");
-    EXPECT_EQ(process_vector[0].products_[0].second, 1.0);
-    EXPECT_EQ(process_vector[0].products_[1].first.name_, "baz");
-    EXPECT_EQ(process_vector[0].products_[1].second, 3.2);
-    micm::TernaryChemicalActivationRateConstant* ternary_rate_constant =
-        dynamic_cast<micm::TernaryChemicalActivationRateConstant*>(process_vector[0].rate_constant_.get());
-    auto& params = ternary_rate_constant->parameters_;
-    EXPECT_EQ(params.k0_A_, 1.0);
-    EXPECT_EQ(params.k0_B_, 0.0);
-    EXPECT_EQ(params.k0_C_, 0.0);
-    EXPECT_EQ(params.kinf_A_, 1.0);
-    EXPECT_EQ(params.kinf_B_, 0.0);
-    EXPECT_EQ(params.kinf_C_, 0.0);
-    EXPECT_EQ(params.Fc_, 0.6);
-    EXPECT_EQ(params.N_, 1.0);
-  }
-
-  // second reaction
-  {
-    EXPECT_EQ(process_vector[1].reactants_.size(), 2);
-    EXPECT_EQ(process_vector[1].reactants_[0].name_, "bar");
-    EXPECT_EQ(process_vector[1].reactants_[1].name_, "baz");
-    EXPECT_EQ(process_vector[1].products_.size(), 2);
-    EXPECT_EQ(process_vector[1].products_[0].first.name_, "bar");
-    EXPECT_EQ(process_vector[1].products_[0].second, 0.5);
-    EXPECT_EQ(process_vector[1].products_[1].first.name_, "foo");
-    EXPECT_EQ(process_vector[1].products_[1].second, 1.0);
-    micm::TernaryChemicalActivationRateConstant* ternary_rate_constant =
-        dynamic_cast<micm::TernaryChemicalActivationRateConstant*>(process_vector[1].rate_constant_.get());
-    auto& params = ternary_rate_constant->parameters_;
-    EXPECT_EQ(params.k0_A_, 32.1);
-    EXPECT_EQ(params.k0_B_, -2.3);
-    EXPECT_EQ(params.k0_C_, 102.3);
-    EXPECT_EQ(params.kinf_A_, 63.4);
-    EXPECT_EQ(params.kinf_B_, -1.3);
-    EXPECT_EQ(params.kinf_C_, 908.5);
-    EXPECT_EQ(params.Fc_, 1.3);
-    EXPECT_EQ(params.N_, 32.1);
-  }
-}
-
-TEST(TernaryChemicalActivationConfig, DetectsNonstandardKeys)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status =
-      solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/contains_nonstandard_key");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
-
-TEST(TernaryChemicalActivationConfig, DetectsNonstandardProductCoefficient)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status =
-      solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/nonstandard_product_coef");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
-
-TEST(TernaryChemicalActivationConfig, DetectsNonstandardReactantCoefficient)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status =
-      solver_config.ReadAndParse("./unit_configs/process/ternary_chemical_activation/nonstandard_reactant_coef");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
diff --git a/test/unit/configure/process/test_troe_camp_config.cpp b/test/unit/configure/process/test_troe_camp_config.cpp
deleted file mode 100644
index 99934568f..000000000
--- a/test/unit/configure/process/test_troe_camp_config.cpp
+++ /dev/null
@@ -1,97 +0,0 @@
-#include <gtest/gtest.h>
-
-#include <micm/configure/camp_config.hpp>
-
-TEST(TroeConfig, DetectsInvalidConfig)
-{
-  micm::SolverConfig solver_config;
-
-  // Read and parse the configure files
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/troe/missing_reactants");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-  status = solver_config.ReadAndParse("./unit_configs/process/troe/missing_products");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-}
-
-TEST(TroeConfig, ParseConfig)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/troe/valid");
-  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
-
-  micm::SolverParameters solver_params = solver_config.GetSolverParams();
-
-  auto& process_vector = solver_params.processes_;
-
-  // first reaction
-  {
-    EXPECT_EQ(process_vector[0].reactants_.size(), 3);
-    EXPECT_EQ(process_vector[0].reactants_[0].name_, "foo");
-    EXPECT_EQ(process_vector[0].reactants_[1].name_, "quz");
-    EXPECT_EQ(process_vector[0].reactants_[2].name_, "quz");
-    EXPECT_EQ(process_vector[0].products_.size(), 2);
-    EXPECT_EQ(process_vector[0].products_[0].first.name_, "bar");
-    EXPECT_EQ(process_vector[0].products_[0].second, 1.0);
-    EXPECT_EQ(process_vector[0].products_[1].first.name_, "baz");
-    EXPECT_EQ(process_vector[0].products_[1].second, 3.2);
-    micm::TroeRateConstant* ternary_rate_constant =
-        dynamic_cast<micm::TroeRateConstant*>(process_vector[0].rate_constant_.get());
-    auto& params = ternary_rate_constant->parameters_;
-    EXPECT_EQ(params.k0_A_, 1.0);
-    EXPECT_EQ(params.k0_B_, 0.0);
-    EXPECT_EQ(params.k0_C_, 0.0);
-    EXPECT_EQ(params.kinf_A_, 1.0);
-    EXPECT_EQ(params.kinf_B_, 0.0);
-    EXPECT_EQ(params.kinf_C_, 0.0);
-    EXPECT_EQ(params.Fc_, 0.6);
-    EXPECT_EQ(params.N_, 1.0);
-  }
-
-  // second reaction
-  {
-    EXPECT_EQ(process_vector[1].reactants_.size(), 2);
-    EXPECT_EQ(process_vector[1].reactants_[0].name_, "bar");
-    EXPECT_EQ(process_vector[1].reactants_[1].name_, "baz");
-    EXPECT_EQ(process_vector[1].products_.size(), 2);
-    EXPECT_EQ(process_vector[1].products_[0].first.name_, "bar");
-    EXPECT_EQ(process_vector[1].products_[0].second, 0.5);
-    EXPECT_EQ(process_vector[1].products_[1].first.name_, "foo");
-    EXPECT_EQ(process_vector[1].products_[1].second, 1.0);
-    micm::TroeRateConstant* ternary_rate_constant =
-        dynamic_cast<micm::TroeRateConstant*>(process_vector[1].rate_constant_.get());
-    auto& params = ternary_rate_constant->parameters_;
-    EXPECT_EQ(params.k0_A_, 32.1);
-    EXPECT_EQ(params.k0_B_, -2.3);
-    EXPECT_EQ(params.k0_C_, 102.3);
-    EXPECT_EQ(params.kinf_A_, 63.4);
-    EXPECT_EQ(params.kinf_B_, -1.3);
-    EXPECT_EQ(params.kinf_C_, 908.5);
-    EXPECT_EQ(params.Fc_, 1.3);
-    EXPECT_EQ(params.N_, 32.1);
-  }
-}
-
-TEST(TroeConfig, DetectsNonstandardKeys)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/troe/contains_nonstandard_key");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
-
-TEST(TroeConfig, DetectsNonstandardProductCoefficient)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/troe/nonstandard_product_coef");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
-
-TEST(TroeConfig, DetectsNonstandardReactantCoefficient)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/troe/nonstandard_reactant_coef");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
diff --git a/test/unit/configure/process/test_tunneling_camp_config.cpp b/test/unit/configure/process/test_tunneling_camp_config.cpp
deleted file mode 100644
index 726362336..000000000
--- a/test/unit/configure/process/test_tunneling_camp_config.cpp
+++ /dev/null
@@ -1,87 +0,0 @@
-#include <gtest/gtest.h>
-
-#include <micm/configure/camp_config.hpp>
-
-TEST(TunnelingConfig, DetectsInvalidConfig)
-{
-  micm::SolverConfig solver_config;
-
-  // Read and parse the configure files
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/tunneling/missing_reactants");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-  status = solver_config.ReadAndParse("./unit_configs/process/tunneling/missing_products");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
-}
-
-TEST(TunnelingConfig, ParseConfig)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/tunneling/valid");
-  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
-
-  micm::SolverParameters solver_params = solver_config.GetSolverParams();
-
-  auto& process_vector = solver_params.processes_;
-
-  // first reaction
-  {
-    EXPECT_EQ(process_vector[0].reactants_.size(), 3);
-    EXPECT_EQ(process_vector[0].reactants_[0].name_, "foo");
-    EXPECT_EQ(process_vector[0].reactants_[1].name_, "quz");
-    EXPECT_EQ(process_vector[0].reactants_[2].name_, "quz");
-    EXPECT_EQ(process_vector[0].products_.size(), 2);
-    EXPECT_EQ(process_vector[0].products_[0].first.name_, "bar");
-    EXPECT_EQ(process_vector[0].products_[0].second, 1.0);
-    EXPECT_EQ(process_vector[0].products_[1].first.name_, "baz");
-    EXPECT_EQ(process_vector[0].products_[1].second, 3.2);
-    micm::TunnelingRateConstant* tunneling_rate_constant =
-        dynamic_cast<micm::TunnelingRateConstant*>(process_vector[0].rate_constant_.get());
-    auto& params = tunneling_rate_constant->parameters_;
-    EXPECT_EQ(params.A_, 1.0);
-    EXPECT_EQ(params.B_, 0.0);
-    EXPECT_EQ(params.C_, 0.0);
-  }
-
-  // second reaction
-  {
-    EXPECT_EQ(process_vector[1].reactants_.size(), 2);
-    EXPECT_EQ(process_vector[1].reactants_[0].name_, "bar");
-    EXPECT_EQ(process_vector[1].reactants_[1].name_, "baz");
-    EXPECT_EQ(process_vector[1].products_.size(), 2);
-    EXPECT_EQ(process_vector[1].products_[0].first.name_, "bar");
-    EXPECT_EQ(process_vector[1].products_[0].second, 0.5);
-    EXPECT_EQ(process_vector[1].products_[1].first.name_, "foo");
-    EXPECT_EQ(process_vector[1].products_[1].second, 1.0);
-    micm::TunnelingRateConstant* tunneling_rate_constant =
-        dynamic_cast<micm::TunnelingRateConstant*>(process_vector[1].rate_constant_.get());
-    auto& params = tunneling_rate_constant->parameters_;
-    EXPECT_EQ(params.A_, 32.1);
-    EXPECT_EQ(params.B_, -2.3);
-    EXPECT_EQ(params.C_, 102.3);
-  }
-}
-
-TEST(TunnelingConfig, DetectsNonstandardKeys)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/tunneling/contains_nonstandard_key");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
-
-TEST(TunnelingConfig, DetectsNonstandardProductCoefficient)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/nonstandard_product_coef");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
-
-TEST(TunnelingConfig, DetectsNonstandardReactantCoefficient)
-{
-  micm::SolverConfig solver_config;
-
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/arrhenius/nonstandard_reactant_coef");
-  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
-}
diff --git a/test/unit/configure/test_camp_config.cpp b/test/unit/configure/test_camp_config.cpp
deleted file mode 100644
index 0d9010a6d..000000000
--- a/test/unit/configure/test_camp_config.cpp
+++ /dev/null
@@ -1,151 +0,0 @@
-#include <gtest/gtest.h>
-
-#include <micm/configure/camp_config.hpp>
-
-TEST(SolverConfig, DetectsInvalidConfigFile)
-{
-  micm::SolverConfig solverConfig{};
-  auto status = solverConfig.ReadAndParse("not_a_config_file");
-  EXPECT_EQ(micm::ConfigParseStatus::InvalidCAMPFilePath, status);
-}
-
-TEST(SolverConfig, NoConfigFilesFound)
-{
-  micm::SolverConfig solverConfig{};
-  auto status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_invalid/config.json");
-  EXPECT_EQ(micm::ConfigParseStatus::NoConfigFilesFound, status);
-}
-
-TEST(SolverConfig, ReadAndParseCAMPFiles)
-{
-  micm::SolverConfig solverConfig{};
-
-  // Read and parse the CAMP configure file
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_valid/config.json");
-  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
-}
-
-TEST(SolverConfig, ReadAndParseCAMPFilesFromDir)
-{
-  micm::SolverConfig solverConfig{};
-
-  // Read and parse the CAMP configure file
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_valid");
-  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
-}
-
-TEST(SolverConfig, ReadAndParseSystemObject)
-{
-  micm::SolverConfig solverConfig;
-
-  // Read and parse the configure files
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/chapman/config.json");
-  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
-
-  // Get solver parameters ('System', the collection of 'Process')
-  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
-
-  // Check 'gas_phase' in 'System'
-  EXPECT_EQ(solver_params.system_.gas_phase_.species_.size(), 9);
-
-  // Check 'phases' in 'System'
-  EXPECT_EQ(solver_params.system_.phases_.size(), 0);
-
-  // Check 'name' and 'properties' in 'Species'
-  std::vector<std::pair<std::string, short>> species_name_and_num_properties = {
-    std::make_pair("M", 0),   std::make_pair("Ar", 1), std::make_pair("CO2", 1),
-    std::make_pair("H2O", 1), std::make_pair("N2", 1), std::make_pair("O1D", 1),
-    std::make_pair("O", 1),   std::make_pair("O2", 1), std::make_pair("O3", 1)
-  };
-
-  short idx = 0;
-  for (const auto& s : solver_params.system_.gas_phase_.species_)
-  {
-    EXPECT_EQ(s.name_, species_name_and_num_properties[idx].first);
-    EXPECT_EQ(s.properties_.size(), species_name_and_num_properties[idx].second);
-    idx++;
-  }
-}
-
-TEST(SolverConfig, ReadAndParseProcessObjects)
-{
-  micm::SolverConfig<micm::JsonReaderPolicy> solverConfig;
-
-  // Read and parse the configure files
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/chapman/config.json");
-  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
-
-  // Get solver parameters ('System', the collection of 'Process')
-  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
-
-  auto& process_vector = solver_params.processes_;
-
-  // Check the number of 'Process' created
-  EXPECT_EQ(process_vector.size(), 15);
-
-  // Check the number of 'reactants' and 'products' in each 'Process'
-  // Check 'yield' value for the first product and the number of 'spieces in 'phase' in each 'Process'
-  int num_reactants_in_each_process[] = { 1, 1, 1, 2, 2, 2, 3, 0, 0, 0, 1, 1, 1, 1, 1 };
-  int num_products_in_each_process[] = { 1, 2, 2, 2, 2, 1, 2, 1, 1, 1, 0, 0, 0, 0, 0 };
-  double yield_value_of_first_product_in_each_process[] = { 2.0, 1.0, 1.0, 1.0, 1.0, 2.0, 1.0, 1.0,
-                                                            1.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0 };
-  int num_phase_in_each_process = 9;
-
-  short idx = 0;
-  for (const auto& p : process_vector)
-  {
-    EXPECT_EQ(p.reactants_.size(), num_reactants_in_each_process[idx]);
-    EXPECT_EQ(p.products_.size(), num_products_in_each_process[idx]);
-    if (num_products_in_each_process[idx] > 0)
-      EXPECT_EQ(p.products_[0].second, yield_value_of_first_product_in_each_process[idx]);
-    EXPECT_EQ(p.phase_.species_.size(), num_phase_in_each_process);
-    idx++;
-  }
-
-  // Check the parameters for 'ArrheniusRateConstant'
-  micm::ArrheniusRateConstant* arrhenius_rate_const = nullptr;
-  double A_param[] = { 2.15e-11, 3.3e-11, 8.0e-12, 6.0e-34 };
-  double B_param[] = { 0.0, 0.0, 0.0, 2.4 };
-  double C_param[] = { 110.0, 55.0, -2060.00, 0.0 };
-  double D_param[] = { 300.0, 300.0, 300.0, 300.0 };
-  double E_param[] = { 0.0, 0.0, 0.0, 0.0 };
-
-  for (short i = 3; i < 7; i++)
-  {
-    arrhenius_rate_const = dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[i].rate_constant_.get());
-
-    EXPECT_TRUE(arrhenius_rate_const != nullptr);
-    EXPECT_EQ(arrhenius_rate_const->parameters_.A_, A_param[i - 3]);
-    EXPECT_EQ(arrhenius_rate_const->parameters_.B_, B_param[i - 3]);
-    EXPECT_EQ(arrhenius_rate_const->parameters_.C_, C_param[i - 3]);
-    EXPECT_EQ(arrhenius_rate_const->parameters_.D_, D_param[i - 3]);
-    EXPECT_EQ(arrhenius_rate_const->parameters_.E_, E_param[i - 3]);
-  }
-
-  // Check the number of custom parameters of 'rate constant' in each 'Process'
-  std::vector<std::vector<std::string>> custom_rate_labels = { { "PHOTO.O2_1" },
-                                                               { "PHOTO.O3_1" },
-                                                               { "PHOTO.O3_2" },
-                                                               {},
-                                                               {},
-                                                               {},
-                                                               {},
-                                                               { "EMIS.O1D" },
-                                                               { "EMIS.O" },
-                                                               { "EMIS.O3" },
-                                                               { "LOSS.N2" },
-                                                               { "LOSS.O2" },
-                                                               { "LOSS.CO2" },
-                                                               { "LOSS.Ar" },
-                                                               { "LOSS.H2O" } };
-
-  // check photlysis, emissions, and loss reaction labels
-  idx = 0;
-  std::vector<micm::Process>::iterator it;
-  for (it = solver_params.processes_.begin(); it != solver_params.processes_.end(); it++, idx++)
-  {
-    EXPECT_EQ(it->rate_constant_->SizeCustomParameters(), custom_rate_labels[idx].size());
-    for (std::size_t i = 0; i < custom_rate_labels[idx].size(); ++i)
-      EXPECT_EQ(it->rate_constant_->CustomParameters()[i], custom_rate_labels[idx][i]);
-  }
-}
diff --git a/test/unit/configure/test_solver_config.cpp b/test/unit/configure/test_solver_config.cpp
index 55c7fe82c..cf229a0b7 100644
--- a/test/unit/configure/test_solver_config.cpp
+++ b/test/unit/configure/test_solver_config.cpp
@@ -5,8 +5,15 @@
 TEST(SolverConfig, DetectsInvalidConfigFile)
 {
   micm::SolverConfig solverConfig{};
-  auto status = solverConfig.ReadAndParse("not_a_config_file_directory");
-  EXPECT_EQ(micm::ConfigParseStatus::InvalidSpeciesFilePath, status);
+  auto status = solverConfig.ReadAndParse("not_a_config_file");
+  EXPECT_EQ(micm::ConfigParseStatus::InvalidCAMPFilePath, status);
+}
+
+TEST(SolverConfig, NoConfigFilesFound)
+{
+  micm::SolverConfig solverConfig{};
+  auto status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_invalid/config.json");
+  EXPECT_EQ(micm::ConfigParseStatus::NoConfigFilesFound, status);
 }
 
 TEST(SolverConfig, ReadAndParseCAMPFiles)
@@ -14,21 +21,17 @@ TEST(SolverConfig, ReadAndParseCAMPFiles)
   micm::SolverConfig solverConfig{};
 
   // Read and parse the CAMP configure file
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_valid");
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_valid/config.json");
   EXPECT_EQ(micm::ConfigParseStatus::Success, status);
 }
 
-TEST(SolverConfig, DetectsInvalidCAMPConfigFile)
+TEST(SolverConfig, ReadAndParseCAMPFilesFromDir)
 {
   micm::SolverConfig solverConfig{};
 
   // Read and parse the CAMP configure file
-  micm::ConfigParseStatus status;
-  status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_invalid");
-  EXPECT_EQ(micm::ConfigParseStatus::InvalidCAMPFileCount, status);
-
-  status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_no_files_key");
-  EXPECT_EQ(micm::ConfigParseStatus::CAMPFilesSectionNotFound, status);
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_valid");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
 }
 
 TEST(SolverConfig, ReadAndParseSystemObject)
@@ -36,7 +39,7 @@ TEST(SolverConfig, ReadAndParseSystemObject)
   micm::SolverConfig solverConfig;
 
   // Read and parse the configure files
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/chapman");
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/chapman/config.json");
   EXPECT_EQ(micm::ConfigParseStatus::Success, status);
 
   // Get solver parameters ('System', the collection of 'Process')
@@ -69,7 +72,7 @@ TEST(SolverConfig, ReadAndParseProcessObjects)
   micm::SolverConfig<micm::JsonReaderPolicy> solverConfig;
 
   // Read and parse the configure files
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/chapman");
+  micm::ConfigParseStatus status = solverConfig.ReadAndParse("./unit_configs/chapman/config.json");
   EXPECT_EQ(micm::ConfigParseStatus::Success, status);
 
   // Get solver parameters ('System', the collection of 'Process')
@@ -146,11 +149,3 @@ TEST(SolverConfig, ReadAndParseProcessObjects)
       EXPECT_EQ(it->rate_constant_->CustomParameters()[i], custom_rate_labels[idx][i]);
   }
 }
-
-TEST(SolverConfig, GettingSolverParamsThrowsExceptionWithFailedParsing)
-{
-  micm::SolverConfig solverConfig;
-  micm::ConfigParseStatus status = solverConfig.ReadAndParse("not_a_config_file_directory");
-  EXPECT_NE(micm::ConfigParseStatus::Success, status);
-  EXPECT_ANY_THROW(solverConfig.GetSolverParams());
-}

From ca2dd2be0884424fb15c2af1e52f20951411137d Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 30 Oct 2023 23:55:40 +0000
Subject: [PATCH 211/318] Added test parameters.

---
 test/surface_rxn/test_surface_rxn.cpp | 14 ++++++++++++--
 1 file changed, 12 insertions(+), 2 deletions(-)

diff --git a/test/surface_rxn/test_surface_rxn.cpp b/test/surface_rxn/test_surface_rxn.cpp
index 99200294a..2981b9c31 100644
--- a/test/surface_rxn/test_surface_rxn.cpp
+++ b/test/surface_rxn/test_surface_rxn.cpp
@@ -1,4 +1,3 @@
-#include <micm/configure/solver_config.hpp>
 #include <micm/system/system.hpp>
 #include <micm/solver/state.hpp>
 #include <micm/system/species.hpp>
@@ -9,8 +8,19 @@
 
 int main(const int argc, const char* argv[])
 {
-  micm::SolverConfig solver_config;
 
+  const double rxn_gamma          = 2.0e-2;  // [unitless]
+  const double bar_yield          = 1.0;     // [unitless]
+  const double baz_yield          = 0.4;     // [unitless]
+  const double DENSITY_stuff      = 1000.0;  // [kg m-3]
+  const double DENSITY_more_stuff = 1000.0;  // [kg m-3]
+  const double MW_stuff           = 0.5;     // [kg mol-1]
+  const double MW_more_stuff      = 0.2;     // [kg mol-1]
+  const double MW_foo             = 0.04607; // [kg mol-1]
+  const double Dg_foo             = 0.95e-5; // diffusion coeff [m2 s-1]
+  const double sp_number          = 1.3e6;   // single-particle number concentration [# m-3]
+  const double mode_GMD           = 1.0e-6;  // mode geometric mean diameter [m]
+  const double mode_GSD           = 0.1;     // mode geometric standard deviation [unitless]
 
   return 0;
 }

From eacb3a08068dbecaa802944f3e92b59b148b2ac7 Mon Sep 17 00:00:00 2001
From: GitHub Actions <actions@github.com>
Date: Tue, 31 Oct 2023 16:30:48 +0000
Subject: [PATCH 212/318] Auto-format code using Clang-Format

---
 include/micm/configure/solver_config.hpp | 1374 +++++++++++-----------
 1 file changed, 686 insertions(+), 688 deletions(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index e6dfcb538..cad5c6e84 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -8,20 +8,19 @@
 #include <filesystem>
 #include <fstream>
 #include <iostream>
-#include <nlohmann/json.hpp>
+#include <micm/process/arrhenius_rate_constant.hpp>
+#include <micm/process/branched_rate_constant.hpp>
 #include <micm/process/process.hpp>
-#include <micm/system/system.hpp>
+#include <micm/process/surface_rate_constant.hpp>
+#include <micm/process/ternary_chemical_activation_rate_constant.hpp>
+#include <micm/process/troe_rate_constant.hpp>
+#include <micm/process/tunneling_rate_constant.hpp>
+#include <micm/process/user_defined_rate_constant.hpp>
 #include <micm/system/phase.hpp>
 #include <micm/system/species.hpp>
+#include <micm/system/system.hpp>
 #include <micm/util/constants.hpp>
-
-#include <micm/process/user_defined_rate_constant.hpp>
-#include <micm/process/arrhenius_rate_constant.hpp>
-#include <micm/process/troe_rate_constant.hpp>
-#include <micm/process/ternary_chemical_activation_rate_constant.hpp>
-#include <micm/process/branched_rate_constant.hpp>
-#include <micm/process/tunneling_rate_constant.hpp>
-#include <micm/process/surface_rate_constant.hpp>
+#include <nlohmann/json.hpp>
 
 namespace micm
 {
@@ -88,845 +87,844 @@ namespace micm
   {
     using json = nlohmann::json;
 
-    public:
-      std::vector<Species> species_arr_;
+   public:
+    std::vector<Species> species_arr_;
+
+    std::vector<UserDefinedRateConstant> user_defined_rate_arr_;
+    std::vector<ArrheniusRateConstant> arrhenius_rate_arr_;
+    std::vector<TroeRateConstant> troe_rate_arr_;
+    std::vector<TernaryChemicalActivationRateConstant> ternary_rate_arr_;
+    std::vector<BranchedRateConstant> branched_rate_arr_;
+    std::vector<TunnelingRateConstant> tunneling_rate_arr_;
+    std::vector<SurfaceRateConstant> surface_rate_arr_;
 
-      std::vector<UserDefinedRateConstant> user_defined_rate_arr_;
-      std::vector<ArrheniusRateConstant> arrhenius_rate_arr_;
-      std::vector<TroeRateConstant> troe_rate_arr_;
-      std::vector<TernaryChemicalActivationRateConstant> ternary_rate_arr_;
-      std::vector<BranchedRateConstant> branched_rate_arr_;
-      std::vector<TunnelingRateConstant> tunneling_rate_arr_;
-      std::vector<SurfaceRateConstant> surface_rate_arr_;
+    // Specific for solver parameters
+    Phase gas_phase_;
+    std::unordered_map<std::string, Phase> phases_;
+    std::vector<Process> processes_;
 
-      // Specific for solver parameters
-      Phase gas_phase_;
-      std::unordered_map<std::string, Phase> phases_;
-      std::vector<Process> processes_;
+    // Common JSON
+    static const inline std::string DEFAULT_CONFIG_FILE = "config.json";
+    static const inline std::string CAMP_FILES = "camp-files";
+    static const inline std::string CAMP_DATA = "camp-data";
+    static const inline std::string TYPE = "type";
 
-      // Common JSON
-      static const inline std::string DEFAULT_CONFIG_FILE = "config.json";
-      static const inline std::string CAMP_FILES = "camp-files";
-      static const inline std::string CAMP_DATA = "camp-data";
-      static const inline std::string TYPE = "type";
+    // Functions
 
-      // Functions
+    /// @brief Parse configures
+    /// @param config_path Path to a the CAMP configuration directory or file
+    /// @return True for successful parsing
+    ConfigParseStatus Parse(const std::filesystem::path& config_path)
+    {
+      // Parse status
+      ConfigParseStatus status;
 
-      /// @brief Parse configures
-      /// @param config_path Path to a the CAMP configuration directory or file
-      /// @return True for successful parsing
-      ConfigParseStatus Parse(const std::filesystem::path& config_path)
+      // Look for CAMP config path
+      if (!std::filesystem::exists(config_path))
       {
-        // Parse status
-        ConfigParseStatus status;
+        status = ConfigParseStatus::InvalidCAMPFilePath;
+        std::string msg = configParseStatusToString(status);
+        std::cerr << msg << std::endl;
+        return status;
+      }
 
-        // Look for CAMP config path
-        if (!std::filesystem::exists(config_path))
-        {
-          status = ConfigParseStatus::InvalidCAMPFilePath;
-	  std::string msg = configParseStatusToString(status);
-	  std::cerr << msg << std::endl;
-          return status;
-        }
+      std::filesystem::path config_dir;
+      std::filesystem::path config_file;
 
-        std::filesystem::path config_dir;
-        std::filesystem::path config_file;
+      if (std::filesystem::is_directory(config_path))
+      {
+        // If config path is a directory, use default config file name
+        config_dir = config_path;
+        config_file = config_dir / DEFAULT_CONFIG_FILE;
+      }
+      else
+      {
+        // Extract configuration dir from configuration file path
+        config_dir = config_path.parent_path();
+        config_file = config_path;
+      }
 
-        if (std::filesystem::is_directory(config_path))
-        {
-          // If config path is a directory, use default config file name
-          config_dir = config_path;
-          config_file = config_dir / DEFAULT_CONFIG_FILE;
-        }
-        else
-        {
-          // Extract configuration dir from configuration file path
-          config_dir = config_path.parent_path();
-          config_file = config_path;
-        }
+      // std::cout << "config_file " << config_file << std::endl;
 
-        // std::cout << "config_file " << config_file << std::endl;
+      // Load the CAMP file list JSON
+      json camp_data = json::parse(std::ifstream(config_file));
+      if (!camp_data.contains(CAMP_FILES))
+      {
+        status = ConfigParseStatus::CAMPFilesSectionNotFound;
+        std::string msg = configParseStatusToString(status);
+        std::cerr << msg << std::endl;
+        return status;
+      }
 
-        // Load the CAMP file list JSON
-        json camp_data = json::parse(std::ifstream(config_file));
-        if (!camp_data.contains(CAMP_FILES))
+      // Build a list of individual CAMP config files
+      std::vector<std::filesystem::path> camp_files;
+      for (const auto& element : camp_data[CAMP_FILES])
+      {
+        std::filesystem::path camp_file = config_dir / element.get<std::string>();
+        if (std::filesystem::exists(camp_file))
         {
-          status = ConfigParseStatus::CAMPFilesSectionNotFound;
-	  std::string msg = configParseStatusToString(status);
-	  std::cerr << msg << std::endl;
-          return status;
+          camp_files.push_back(camp_file);
         }
+        // Error return here if CAMP files list has a missing file?
+      }
 
-        // Build a list of individual CAMP config files
-        std::vector<std::filesystem::path> camp_files;
-        for (const auto& element : camp_data[CAMP_FILES])
-        {
-          std::filesystem::path camp_file = config_dir / element.get<std::string>();
-          if (std::filesystem::exists(camp_file))
-          {
-            camp_files.push_back(camp_file);
-          }
-          // Error return here if CAMP files list has a missing file? 
-        }
+      // No config files found
+      if (camp_files.size() < 1)
+      {
+        status = ConfigParseStatus::NoConfigFilesFound;
+        std::string msg = configParseStatusToString(status);
+        std::cerr << msg << std::endl;
+        return status;
+      }
 
-        // No config files found
-        if (camp_files.size() < 1)
-        {
-          status = ConfigParseStatus::NoConfigFilesFound;
-	  std::string msg = configParseStatusToString(status);
-	  std::cerr << msg << std::endl;
-          return status;
-        }
+      std::vector<json> species_objects;
+      std::vector<json> mechanism_objects;
 
-        std::vector<json> species_objects;
-        std::vector<json> mechanism_objects;
+      // Iterate CAMP file list and form CAMP data object arrays
+      for (const auto& camp_file : camp_files)
+      {
+        json config_subset = json::parse(std::ifstream(camp_file));
 
-        // Iterate CAMP file list and form CAMP data object arrays
-        for (const auto& camp_file : camp_files)
+        if (config_subset.contains(CAMP_DATA))
         {
-          json config_subset = json::parse(std::ifstream(camp_file));
-
-          if (config_subset.contains(CAMP_DATA))
+          // Iterate JSON objects from CAMP data entry
+          for (const auto& object : config_subset[CAMP_DATA])
           {
-            // Iterate JSON objects from CAMP data entry
-            for (const auto& object : config_subset[CAMP_DATA])
+            if (!object.is_null())
             {
-              if (!object.is_null())
+              // Require object to have a type entry
+              if (!ValidateJsonWithKey(object, TYPE))
+              {
+                status = ConfigParseStatus::ObjectTypeNotFound;
+                std::string msg = configParseStatusToString(status);
+                std::cerr << msg << std::endl;
+                return status;
+              }
+              // Sort into object arrays by type
+              std::string type = object[TYPE].get<std::string>();
+              // CHEM_SPEC and RELATIVE_TOLERANCE parsed first by ParseSpeciesArray
+              if ((type == "CHEM_SPEC") || (type == "RELATIVE_TOLERANCE"))
               {
-                // Require object to have a type entry
-                if (!ValidateJsonWithKey(object, TYPE))
-                {
-                  status = ConfigParseStatus::ObjectTypeNotFound;
-	          std::string msg = configParseStatusToString(status);
-	          std::cerr << msg << std::endl;
-                  return status;
-                }
-                // Sort into object arrays by type
-                std::string type = object[TYPE].get<std::string>();
-                // CHEM_SPEC and RELATIVE_TOLERANCE parsed first by ParseSpeciesArray
-                if ((type == "CHEM_SPEC") || (type == "RELATIVE_TOLERANCE"))
-                {
-                  species_objects.push_back(object);
-                }
-                // All other objects will be parsed by ParseMechanismArray
-                else
-                {
-                  mechanism_objects.push_back(object);
-                }
+                species_objects.push_back(object);
+              }
+              // All other objects will be parsed by ParseMechanismArray
+              else
+              {
+                mechanism_objects.push_back(object);
               }
             }
           }
-          else
-          {
-            return ConfigParseStatus::CAMPDataSectionNotFound;
-          }
         }
+        else
+        {
+          return ConfigParseStatus::CAMPDataSectionNotFound;
+        }
+      }
 
-        // Clear vectors and maps
-        species_arr_.clear();
-        user_defined_rate_arr_.clear();
-        arrhenius_rate_arr_.clear();
-        troe_rate_arr_.clear();
-        ternary_rate_arr_.clear();
-        branched_rate_arr_.clear();
-        tunneling_rate_arr_.clear();
-        surface_rate_arr_.clear();
-        phases_.clear();
-        processes_.clear();
+      // Clear vectors and maps
+      species_arr_.clear();
+      user_defined_rate_arr_.clear();
+      arrhenius_rate_arr_.clear();
+      troe_rate_arr_.clear();
+      ternary_rate_arr_.clear();
+      branched_rate_arr_.clear();
+      tunneling_rate_arr_.clear();
+      surface_rate_arr_.clear();
+      phases_.clear();
+      processes_.clear();
 
-        // Parse species object array
-        status = ParseSpeciesArray(species_objects);
+      // Parse species object array
+      status = ParseSpeciesArray(species_objects);
 
-        // Assign the parsed 'Species' to 'Phase'
-        gas_phase_ = Phase(species_arr_);
+      // Assign the parsed 'Species' to 'Phase'
+      gas_phase_ = Phase(species_arr_);
 
-        // Parse mechanism object array
-        status = ParseMechanismArray(mechanism_objects);
+      // Parse mechanism object array
+      status = ParseMechanismArray(mechanism_objects);
 
-        return status;
-      }
+      return status;
+    }
 
-    private:
+   private:
+    ConfigParseStatus ParseSpeciesArray(const std::vector<json>& objects)
+    {
+      ConfigParseStatus status = ConfigParseStatus::None;
 
-      ConfigParseStatus ParseSpeciesArray(const std::vector<json>& objects)
+      for (const auto& object : objects)
       {
-        ConfigParseStatus status = ConfigParseStatus::None;
+        std::string type = object[TYPE].get<std::string>();
 
-        for (const auto& object : objects)
-        {
-          std::string type = object[TYPE].get<std::string>();
-
-          // debug statements
-          // std::cout << type << std::endl;
-          // std::cout << "ParseSpeciesArray object " << object.dump(4) << std::endl;
+        // debug statements
+        // std::cout << type << std::endl;
+        // std::cout << "ParseSpeciesArray object " << object.dump(4) << std::endl;
 
-          if (type == "CHEM_SPEC")
-          {
-            status = ParseChemicalSpecies(object);
-          }
-          else if (type == "RELATIVE_TOLERANCE")
-          {
-            status = ParseRelativeTolerance(object);
-          }
-
-          if (status != ConfigParseStatus::Success)
-            break;
+        if (type == "CHEM_SPEC")
+        {
+          status = ParseChemicalSpecies(object);
+        }
+        else if (type == "RELATIVE_TOLERANCE")
+        {
+          status = ParseRelativeTolerance(object);
         }
 
-        return status;
+        if (status != ConfigParseStatus::Success)
+          break;
       }
 
-      ConfigParseStatus ParseMechanismArray(const std::vector<json>& objects)
-      {
-        ConfigParseStatus status = ConfigParseStatus::None;
+      return status;
+    }
 
-        for (const auto& object : objects)
-        {
-          std::string type = object[TYPE].get<std::string>();
+    ConfigParseStatus ParseMechanismArray(const std::vector<json>& objects)
+    {
+      ConfigParseStatus status = ConfigParseStatus::None;
 
-          // debug statements
-          // std::cout << type << std::endl;
-          // std::cout << "ParseMechanismArray object " << object.dump(4) << std::endl;
+      for (const auto& object : objects)
+      {
+        std::string type = object[TYPE].get<std::string>();
 
-          if (type == "MECHANISM")
-          {
-            status = ParseMechanism(object);
-          }
-          else if (type == "PHOTOLYSIS")
-          {
-            status = ParsePhotolysis(object);
-          }
-          else if (type == "EMISSION")
-          {
-            status = ParseEmission(object);
-          }
-          else if (type == "FIRST_ORDER_LOSS")
-          {
-            status = ParseFirstOrderLoss(object);
-          }
-          else if (type == "ARRHENIUS")
-          {
-            status = ParseArrhenius(object);
-          }
-          else if (type == "TROE")
-          {
-            status = ParseTroe(object);
-          }
-          else if (type == "TERNARY_CHEMICAL_ACTIVATION")
-          {
-            status = ParseTernaryChemicalActivation(object);
-          }
-          else if (type == "BRANCHED" || type == "WENNBERG_NO_RO2")
-          {
-            status = ParseBranched(object);
-          }
-          else if (type == "TUNNELING" || type == "WENNBERG_TUNNELING")
-          {
-            status = ParseTunneling(object);
-          }
-          else if (type == "SURFACE")
-          {
-            status = ParseSurface(object);
-          }
-          else
-          {
-            status = ConfigParseStatus::UnknownKey;
-          }
+        // debug statements
+        // std::cout << type << std::endl;
+        // std::cout << "ParseMechanismArray object " << object.dump(4) << std::endl;
 
-          if (status != ConfigParseStatus::Success)
-            break;
+        if (type == "MECHANISM")
+        {
+          status = ParseMechanism(object);
         }
-
-        return status;
-      }
-
-      bool ValidateJsonWithKey(const json& object, const std::string& key)
-      {
-        if (!object.contains(key))
+        else if (type == "PHOTOLYSIS")
         {
-          std::string msg = "Key " + key + " was not found in the config file";
-          std::cerr << msg << std::endl;
-          return false;
+          status = ParsePhotolysis(object);
         }
-        return true;
-      }
-
-      ConfigParseStatus ParseChemicalSpecies(const json& object)
-      {
-        // required keys
-        const std::string NAME = "name";
-
-        auto status = ValidateSchema(
-          object,
-          { NAME, "type" },
-          { "tracer type", "absolute tolerance", "diffusion coefficient [m2 s-1]", "molecular weight [kg mol-1]" });
-        if (status != ConfigParseStatus::Success)
+        else if (type == "EMISSION")
         {
-          return status;
+          status = ParseEmission(object);
         }
-
-        std::string name = object[NAME].get<std::string>();
-
-        // Load remaining keys as properties
-        std::map<std::string, double> properties{};
-        for (auto& [key, value] : object.items())
+        else if (type == "FIRST_ORDER_LOSS")
         {
-          if (value.is_number_float())
-            properties[key] = value;
+          status = ParseFirstOrderLoss(object);
+        }
+        else if (type == "ARRHENIUS")
+        {
+          status = ParseArrhenius(object);
+        }
+        else if (type == "TROE")
+        {
+          status = ParseTroe(object);
+        }
+        else if (type == "TERNARY_CHEMICAL_ACTIVATION")
+        {
+          status = ParseTernaryChemicalActivation(object);
+        }
+        else if (type == "BRANCHED" || type == "WENNBERG_NO_RO2")
+        {
+          status = ParseBranched(object);
+        }
+        else if (type == "TUNNELING" || type == "WENNBERG_TUNNELING")
+        {
+          status = ParseTunneling(object);
+        }
+        else if (type == "SURFACE")
+        {
+          status = ParseSurface(object);
+        }
+        else
+        {
+          status = ConfigParseStatus::UnknownKey;
         }
-        species_arr_.push_back(Species(name, properties));
 
-        return ConfigParseStatus::Success;
+        if (status != ConfigParseStatus::Success)
+          break;
       }
 
-      ConfigParseStatus ParseRelativeTolerance(const json& object)
+      return status;
+    }
+
+    bool ValidateJsonWithKey(const json& object, const std::string& key)
+    {
+      if (!object.contains(key))
       {
-        return ConfigParseStatus::Success;
+        std::string msg = "Key " + key + " was not found in the config file";
+        std::cerr << msg << std::endl;
+        return false;
       }
+      return true;
+    }
+
+    ConfigParseStatus ParseChemicalSpecies(const json& object)
+    {
+      // required keys
+      const std::string NAME = "name";
 
-      ConfigParseStatus ParseMechanism(const json& object)
+      auto status = ValidateSchema(
+          object,
+          { NAME, "type" },
+          { "tracer type", "absolute tolerance", "diffusion coefficient [m2 s-1]", "molecular weight [kg mol-1]" });
+      if (status != ConfigParseStatus::Success)
       {
-        auto status = ValidateSchema(object, { "name", "reactions", "type" }, {});
-        if (status != ConfigParseStatus::Success)
-        {
-          return status;
-        }
+        return status;
+      }
 
-        std::vector<json> objects;
-        for (const auto& element : object["reactions"])
-        {
-          objects.push_back(element);
-        }
+      std::string name = object[NAME].get<std::string>();
 
-        return ParseMechanismArray(objects);
+      // Load remaining keys as properties
+      std::map<std::string, double> properties{};
+      for (auto& [key, value] : object.items())
+      {
+        if (value.is_number_float())
+          properties[key] = value;
       }
+      species_arr_.push_back(Species(name, properties));
 
-      std::pair<ConfigParseStatus, std::vector<Species>> ParseReactants(const json& object)
-      {
-        const std::string QTY = "qty";
-        std::vector<Species> reactants;
+      return ConfigParseStatus::Success;
+    }
 
-        ConfigParseStatus status = ConfigParseStatus::Success;
+    ConfigParseStatus ParseRelativeTolerance(const json& object)
+    {
+      return ConfigParseStatus::Success;
+    }
 
-        for (auto& [key, value] : object.items())
-        {
-          std::size_t qty = 1;
-          auto new_status = ValidateSchema(value, {}, { "qty" });
-          if (new_status != ConfigParseStatus::Success)
-          {
-            status = new_status;
-          }
-          if (value.contains(QTY))
-            qty = value[QTY];
-          for (std::size_t i = 0; i < qty; ++i)
-            reactants.push_back(Species(key));
-        }
-        return std::make_pair(status, reactants);
+    ConfigParseStatus ParseMechanism(const json& object)
+    {
+      auto status = ValidateSchema(object, { "name", "reactions", "type" }, {});
+      if (status != ConfigParseStatus::Success)
+      {
+        return status;
       }
 
-      std::pair<ConfigParseStatus, std::vector<std::pair<Species, double>>> ParseProducts(const json& object)
+      std::vector<json> objects;
+      for (const auto& element : object["reactions"])
       {
-        const std::string YIELD = "yield";
+        objects.push_back(element);
+      }
+
+      return ParseMechanismArray(objects);
+    }
+
+    std::pair<ConfigParseStatus, std::vector<Species>> ParseReactants(const json& object)
+    {
+      const std::string QTY = "qty";
+      std::vector<Species> reactants;
 
-        ConfigParseStatus status = ConfigParseStatus::Success;
+      ConfigParseStatus status = ConfigParseStatus::Success;
 
-        constexpr double DEFAULT_YIELD = 1.0;
-        std::vector<std::pair<Species, double>> products;
-        for (auto& [key, value] : object.items())
+      for (auto& [key, value] : object.items())
+      {
+        std::size_t qty = 1;
+        auto new_status = ValidateSchema(value, {}, { "qty" });
+        if (new_status != ConfigParseStatus::Success)
         {
-          auto new_status = ValidateSchema(value, {}, { "yield" });
-          if (new_status != ConfigParseStatus::Success)
-          {
-            status = new_status;
-          }
-          if (value.contains(YIELD))
-          {
-            products.push_back(std::make_pair(Species(key), value[YIELD]));
-          }
-          else
-          {
-            products.push_back(std::make_pair(Species(key), DEFAULT_YIELD));
-          }
+          status = new_status;
         }
-        return std::make_pair(status, products);
+        if (value.contains(QTY))
+          qty = value[QTY];
+        for (std::size_t i = 0; i < qty; ++i)
+          reactants.push_back(Species(key));
       }
+      return std::make_pair(status, reactants);
+    }
 
-      ConfigParseStatus ParsePhotolysis(const json& object)
-      {
-        const std::string REACTANTS = "reactants";
-        const std::string PRODUCTS = "products";
-        const std::string MUSICA_NAME = "MUSICA name";
+    std::pair<ConfigParseStatus, std::vector<std::pair<Species, double>>> ParseProducts(const json& object)
+    {
+      const std::string YIELD = "yield";
 
-        auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, {});
-        if (status != ConfigParseStatus::Success)
+      ConfigParseStatus status = ConfigParseStatus::Success;
+
+      constexpr double DEFAULT_YIELD = 1.0;
+      std::vector<std::pair<Species, double>> products;
+      for (auto& [key, value] : object.items())
+      {
+        auto new_status = ValidateSchema(value, {}, { "yield" });
+        if (new_status != ConfigParseStatus::Success)
         {
-          return status;
+          status = new_status;
         }
-
-        auto reactants = ParseReactants(object[REACTANTS]);
-        auto products = ParseProducts(object[PRODUCTS]);
-
-        if (reactants.first != ConfigParseStatus::Success)
+        if (value.contains(YIELD))
         {
-          return reactants.first;
+          products.push_back(std::make_pair(Species(key), value[YIELD]));
         }
-
-        if (products.first != ConfigParseStatus::Success)
+        else
         {
-          return products.first;
+          products.push_back(std::make_pair(Species(key), DEFAULT_YIELD));
         }
+      }
+      return std::make_pair(status, products);
+    }
 
-        std::string name = "PHOTO." + object[MUSICA_NAME].get<std::string>();
+    ConfigParseStatus ParsePhotolysis(const json& object)
+    {
+      const std::string REACTANTS = "reactants";
+      const std::string PRODUCTS = "products";
+      const std::string MUSICA_NAME = "MUSICA name";
 
-        user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
+      auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, {});
+      if (status != ConfigParseStatus::Success)
+      {
+        return status;
+      }
 
-        std::unique_ptr<UserDefinedRateConstant> rate_ptr =
-          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
-        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
+      auto reactants = ParseReactants(object[REACTANTS]);
+      auto products = ParseProducts(object[PRODUCTS]);
 
-        return ConfigParseStatus::Success;
+      if (reactants.first != ConfigParseStatus::Success)
+      {
+        return reactants.first;
       }
 
-      ConfigParseStatus ParseEmission(const json& object)
+      if (products.first != ConfigParseStatus::Success)
       {
-        const std::string SPECIES = "species";
-        const std::string MUSICA_NAME = "MUSICA name";
+        return products.first;
+      }
 
-        auto status = ValidateSchema(object, { "type", SPECIES, MUSICA_NAME }, {});
-        if (status != ConfigParseStatus::Success)
-        {
-          return status;
-        }
+      std::string name = "PHOTO." + object[MUSICA_NAME].get<std::string>();
 
-        std::string species = object["species"].get<std::string>();
-        json reactants_object{};
-        json products_object{};
-        products_object[species] = { { "yield", 1.0 } };
+      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
 
-        auto reactants = ParseReactants(reactants_object);
-        auto products = ParseProducts(products_object);
+      std::unique_ptr<UserDefinedRateConstant> rate_ptr =
+          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
+      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
-        if (reactants.first != ConfigParseStatus::Success)
-        {
-          return reactants.first;
-        }
+      return ConfigParseStatus::Success;
+    }
 
-        if (products.first != ConfigParseStatus::Success)
-        {
-          return products.first;
-        }
+    ConfigParseStatus ParseEmission(const json& object)
+    {
+      const std::string SPECIES = "species";
+      const std::string MUSICA_NAME = "MUSICA name";
 
-        std::string name = "EMIS." + object[MUSICA_NAME].get<std::string>();
+      auto status = ValidateSchema(object, { "type", SPECIES, MUSICA_NAME }, {});
+      if (status != ConfigParseStatus::Success)
+      {
+        return status;
+      }
 
-        user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
+      std::string species = object["species"].get<std::string>();
+      json reactants_object{};
+      json products_object{};
+      products_object[species] = { { "yield", 1.0 } };
 
-        std::unique_ptr<UserDefinedRateConstant> rate_ptr =
-          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
-        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
+      auto reactants = ParseReactants(reactants_object);
+      auto products = ParseProducts(products_object);
 
-        return ConfigParseStatus::Success;
+      if (reactants.first != ConfigParseStatus::Success)
+      {
+        return reactants.first;
       }
 
-      ConfigParseStatus ParseFirstOrderLoss(const json& object)
+      if (products.first != ConfigParseStatus::Success)
       {
-        const std::string SPECIES = "species";
-        const std::string MUSICA_NAME = "MUSICA name";
+        return products.first;
+      }
 
-        auto status = ValidateSchema(object, { "type", SPECIES, MUSICA_NAME }, {});
-        if (status != ConfigParseStatus::Success)
-        {
-          return status;
-        }
+      std::string name = "EMIS." + object[MUSICA_NAME].get<std::string>();
 
-        std::string species = object["species"].get<std::string>();
-        json reactants_object{};
-        json products_object{};
-        reactants_object[species] = { {} };
+      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
 
-        auto reactants = ParseReactants(reactants_object);
-        auto products = ParseProducts(products_object);
+      std::unique_ptr<UserDefinedRateConstant> rate_ptr =
+          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
+      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
-        if (reactants.first != ConfigParseStatus::Success)
-        {
-          return reactants.first;
-        }
+      return ConfigParseStatus::Success;
+    }
 
-        if (products.first != ConfigParseStatus::Success)
-        {
-          return products.first;
-        }
+    ConfigParseStatus ParseFirstOrderLoss(const json& object)
+    {
+      const std::string SPECIES = "species";
+      const std::string MUSICA_NAME = "MUSICA name";
 
-        std::string name = "LOSS." + object[MUSICA_NAME].get<std::string>();
+      auto status = ValidateSchema(object, { "type", SPECIES, MUSICA_NAME }, {});
+      if (status != ConfigParseStatus::Success)
+      {
+        return status;
+      }
 
-        user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
+      std::string species = object["species"].get<std::string>();
+      json reactants_object{};
+      json products_object{};
+      reactants_object[species] = { {} };
 
-        std::unique_ptr<UserDefinedRateConstant> rate_ptr =
-          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
-        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
+      auto reactants = ParseReactants(reactants_object);
+      auto products = ParseProducts(products_object);
 
-        return ConfigParseStatus::Success;
+      if (reactants.first != ConfigParseStatus::Success)
+      {
+        return reactants.first;
       }
 
-      ConfigParseStatus ParseArrhenius(const json& object)
+      if (products.first != ConfigParseStatus::Success)
       {
-        const std::string REACTANTS = "reactants";
-        const std::string PRODUCTS = "products";
+        return products.first;
+      }
 
-        auto status =
-          ValidateSchema(object, { "type", REACTANTS, PRODUCTS }, { "A", "B", "C", "D", "E", "Ea", "MUSICA name" });
-        if (status != ConfigParseStatus::Success)
-        {
-          return status;
-        }
+      std::string name = "LOSS." + object[MUSICA_NAME].get<std::string>();
 
-        auto reactants = ParseReactants(object[REACTANTS]);
-        auto products = ParseProducts(object[PRODUCTS]);
+      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
 
-        if (reactants.first != ConfigParseStatus::Success)
-        {
-          return reactants.first;
-        }
+      std::unique_ptr<UserDefinedRateConstant> rate_ptr =
+          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
+      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
-        if (products.first != ConfigParseStatus::Success)
-        {
-          return products.first;
-        }
+      return ConfigParseStatus::Success;
+    }
 
-        ArrheniusRateConstantParameters parameters;
-        if (object.contains("A"))
-        {
-          parameters.A_ = object["A"].get<double>();
-        }
-        if (object.contains("B"))
-        {
-          parameters.B_ = object["B"].get<double>();
-        }
-        if (object.contains("C"))
-        {
-          parameters.C_ = object["C"].get<double>();
-        }
-        if (object.contains("D"))
-        {
-          parameters.D_ = object["D"].get<double>();
-        }
-        if (object.contains("E"))
-        {
-          parameters.E_ = object["E"].get<double>();
-        }
-        if (object.contains("Ea"))
-        {
-        if (parameters.C_ != 0)
-        {
-          std::cerr << "Ea is specified when C is also specified for an Arrhenius reaction. Pick one." << std::endl;
-          return ConfigParseStatus::MutuallyExclusiveOption;
-        }
-          // Calculate 'C' using 'Ea'
-          parameters.C_ = -1 * object["Ea"].get<double>() / BOLTZMANN_CONSTANT;
-        }
+    ConfigParseStatus ParseArrhenius(const json& object)
+    {
+      const std::string REACTANTS = "reactants";
+      const std::string PRODUCTS = "products";
 
-        arrhenius_rate_arr_.push_back(ArrheniusRateConstant(parameters));
- 
-        std::unique_ptr<ArrheniusRateConstant> rate_ptr = std::make_unique<ArrheniusRateConstant>(parameters);
+      auto status =
+          ValidateSchema(object, { "type", REACTANTS, PRODUCTS }, { "A", "B", "C", "D", "E", "Ea", "MUSICA name" });
+      if (status != ConfigParseStatus::Success)
+      {
+        return status;
+      }
 
-        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
+      auto reactants = ParseReactants(object[REACTANTS]);
+      auto products = ParseProducts(object[PRODUCTS]);
 
-        return ConfigParseStatus::Success;
+      if (reactants.first != ConfigParseStatus::Success)
+      {
+        return reactants.first;
       }
 
-      ConfigParseStatus ParseTroe(const json& object)
+      if (products.first != ConfigParseStatus::Success)
       {
-        const std::string REACTANTS = "reactants";
-        const std::string PRODUCTS = "products";
+        return products.first;
+      }
 
-        auto status = ValidateSchema(
-          object, { "type", REACTANTS, PRODUCTS }, { "k0_A", "k0_B", "k0_C", "kinf_A", "kinf_B", "kinf_C", "Fc", "N" });
-        if (status != ConfigParseStatus::Success)
+      ArrheniusRateConstantParameters parameters;
+      if (object.contains("A"))
+      {
+        parameters.A_ = object["A"].get<double>();
+      }
+      if (object.contains("B"))
+      {
+        parameters.B_ = object["B"].get<double>();
+      }
+      if (object.contains("C"))
+      {
+        parameters.C_ = object["C"].get<double>();
+      }
+      if (object.contains("D"))
+      {
+        parameters.D_ = object["D"].get<double>();
+      }
+      if (object.contains("E"))
+      {
+        parameters.E_ = object["E"].get<double>();
+      }
+      if (object.contains("Ea"))
+      {
+        if (parameters.C_ != 0)
         {
-          return status;
+          std::cerr << "Ea is specified when C is also specified for an Arrhenius reaction. Pick one." << std::endl;
+          return ConfigParseStatus::MutuallyExclusiveOption;
         }
+        // Calculate 'C' using 'Ea'
+        parameters.C_ = -1 * object["Ea"].get<double>() / BOLTZMANN_CONSTANT;
+      }
 
-        auto reactants = ParseReactants(object[REACTANTS]);
-        auto products = ParseProducts(object[PRODUCTS]);
+      arrhenius_rate_arr_.push_back(ArrheniusRateConstant(parameters));
 
-        if (reactants.first != ConfigParseStatus::Success)
-        {
-          return reactants.first;
-        }
+      std::unique_ptr<ArrheniusRateConstant> rate_ptr = std::make_unique<ArrheniusRateConstant>(parameters);
 
-        if (products.first != ConfigParseStatus::Success)
-        {
-          return products.first;
-        }
+      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
-        TroeRateConstantParameters parameters;
-        if (object.contains("k0_A"))
-        {
-          parameters.k0_A_ = object["k0_A"].get<double>();
-        }
-        if (object.contains("k0_B"))
-        {
-          parameters.k0_B_ = object["k0_B"].get<double>();
-        }
-        if (object.contains("k0_C"))
-        {
-          parameters.k0_C_ = object["k0_C"].get<double>();
-        }
-        if (object.contains("kinf_A"))
-        {
-          parameters.kinf_A_ = object["kinf_A"].get<double>();
-        }
-        if (object.contains("kinf_B"))
-        {
-          parameters.kinf_B_ = object["kinf_B"].get<double>();
-        }
-        if (object.contains("kinf_C"))
-        {
-          parameters.kinf_C_ = object["kinf_C"].get<double>();
-        }
-        if (object.contains("Fc"))
-        {
-          parameters.Fc_ = object["Fc"].get<double>();
-        }
-        if (object.contains("N"))
-        {
-          parameters.N_ = object["N"].get<double>();
-        }
+      return ConfigParseStatus::Success;
+    }
 
-        troe_rate_arr_.push_back(TroeRateConstant(parameters));
+    ConfigParseStatus ParseTroe(const json& object)
+    {
+      const std::string REACTANTS = "reactants";
+      const std::string PRODUCTS = "products";
 
-        std::unique_ptr<TroeRateConstant> rate_ptr = std::make_unique<TroeRateConstant>(parameters);
+      auto status = ValidateSchema(
+          object, { "type", REACTANTS, PRODUCTS }, { "k0_A", "k0_B", "k0_C", "kinf_A", "kinf_B", "kinf_C", "Fc", "N" });
+      if (status != ConfigParseStatus::Success)
+      {
+        return status;
+      }
 
-        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
+      auto reactants = ParseReactants(object[REACTANTS]);
+      auto products = ParseProducts(object[PRODUCTS]);
 
-        return ConfigParseStatus::Success;
+      if (reactants.first != ConfigParseStatus::Success)
+      {
+        return reactants.first;
       }
 
-      ConfigParseStatus ParseTernaryChemicalActivation(const json& object)
+      if (products.first != ConfigParseStatus::Success)
       {
-        const std::string REACTANTS = "reactants";
-        const std::string PRODUCTS = "products";
+        return products.first;
+      }
 
-        auto status = ValidateSchema(
-          object, { "type", REACTANTS, PRODUCTS }, { "k0_A", "k0_B", "k0_C", "kinf_A", "kinf_B", "kinf_C", "Fc", "N" });
-        if (status != ConfigParseStatus::Success)
-        {
-          return status;
-        }
+      TroeRateConstantParameters parameters;
+      if (object.contains("k0_A"))
+      {
+        parameters.k0_A_ = object["k0_A"].get<double>();
+      }
+      if (object.contains("k0_B"))
+      {
+        parameters.k0_B_ = object["k0_B"].get<double>();
+      }
+      if (object.contains("k0_C"))
+      {
+        parameters.k0_C_ = object["k0_C"].get<double>();
+      }
+      if (object.contains("kinf_A"))
+      {
+        parameters.kinf_A_ = object["kinf_A"].get<double>();
+      }
+      if (object.contains("kinf_B"))
+      {
+        parameters.kinf_B_ = object["kinf_B"].get<double>();
+      }
+      if (object.contains("kinf_C"))
+      {
+        parameters.kinf_C_ = object["kinf_C"].get<double>();
+      }
+      if (object.contains("Fc"))
+      {
+        parameters.Fc_ = object["Fc"].get<double>();
+      }
+      if (object.contains("N"))
+      {
+        parameters.N_ = object["N"].get<double>();
+      }
 
-        auto reactants = ParseReactants(object[REACTANTS]);
-        auto products = ParseProducts(object[PRODUCTS]);
+      troe_rate_arr_.push_back(TroeRateConstant(parameters));
 
-        if (reactants.first != ConfigParseStatus::Success)
-        {
-          return reactants.first;
-        }
+      std::unique_ptr<TroeRateConstant> rate_ptr = std::make_unique<TroeRateConstant>(parameters);
 
-        if (products.first != ConfigParseStatus::Success)
-        {
-          return products.first;
-        }
+      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
-        TernaryChemicalActivationRateConstantParameters parameters;
-        if (object.contains("k0_A"))
-        {
-          parameters.k0_A_ = object["k0_A"].get<double>();
-        }
-        if (object.contains("k0_B"))
-        {
-          parameters.k0_B_ = object["k0_B"].get<double>();
-        }
-        if (object.contains("k0_C"))
-        {
-          parameters.k0_C_ = object["k0_C"].get<double>();
-        }
-        if (object.contains("kinf_A"))
-        {
-          parameters.kinf_A_ = object["kinf_A"].get<double>();
-        }
-        if (object.contains("kinf_B"))
-        {
-          parameters.kinf_B_ = object["kinf_B"].get<double>();
-        }
-        if (object.contains("kinf_C"))
-        {
-          parameters.kinf_C_ = object["kinf_C"].get<double>();
-        }
-        if (object.contains("Fc"))
-        {
-          parameters.Fc_ = object["Fc"].get<double>();
-        }
-        if (object.contains("N"))
-        {
-          parameters.N_ = object["N"].get<double>();
-        }
+      return ConfigParseStatus::Success;
+    }
 
-        ternary_rate_arr_.push_back(TernaryChemicalActivationRateConstant(parameters));
+    ConfigParseStatus ParseTernaryChemicalActivation(const json& object)
+    {
+      const std::string REACTANTS = "reactants";
+      const std::string PRODUCTS = "products";
 
-        std::unique_ptr<TernaryChemicalActivationRateConstant> rate_ptr =
-          std::make_unique<TernaryChemicalActivationRateConstant>(parameters);
+      auto status = ValidateSchema(
+          object, { "type", REACTANTS, PRODUCTS }, { "k0_A", "k0_B", "k0_C", "kinf_A", "kinf_B", "kinf_C", "Fc", "N" });
+      if (status != ConfigParseStatus::Success)
+      {
+        return status;
+      }
 
-        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
+      auto reactants = ParseReactants(object[REACTANTS]);
+      auto products = ParseProducts(object[PRODUCTS]);
 
-        return ConfigParseStatus::Success;
+      if (reactants.first != ConfigParseStatus::Success)
+      {
+        return reactants.first;
       }
 
-      ConfigParseStatus ParseBranched(const json& object)
+      if (products.first != ConfigParseStatus::Success)
       {
-        const std::string REACTANTS = "reactants";
-        const std::string ALKOXY_PRODUCTS = "alkoxy products";
-        const std::string NITRATE_PRODUCTS = "nitrate products";
-        const std::string X = "X";
-        const std::string Y = "Y";
-        const std::string A0 = "a0";
-        const std::string N = "n";
+        return products.first;
+      }
 
-        auto status = ValidateSchema(object, { "type", REACTANTS, ALKOXY_PRODUCTS, NITRATE_PRODUCTS, X, Y, A0, N }, {});
-        if (status != ConfigParseStatus::Success)
-        {
-          return status;
-        }
+      TernaryChemicalActivationRateConstantParameters parameters;
+      if (object.contains("k0_A"))
+      {
+        parameters.k0_A_ = object["k0_A"].get<double>();
+      }
+      if (object.contains("k0_B"))
+      {
+        parameters.k0_B_ = object["k0_B"].get<double>();
+      }
+      if (object.contains("k0_C"))
+      {
+        parameters.k0_C_ = object["k0_C"].get<double>();
+      }
+      if (object.contains("kinf_A"))
+      {
+        parameters.kinf_A_ = object["kinf_A"].get<double>();
+      }
+      if (object.contains("kinf_B"))
+      {
+        parameters.kinf_B_ = object["kinf_B"].get<double>();
+      }
+      if (object.contains("kinf_C"))
+      {
+        parameters.kinf_C_ = object["kinf_C"].get<double>();
+      }
+      if (object.contains("Fc"))
+      {
+        parameters.Fc_ = object["Fc"].get<double>();
+      }
+      if (object.contains("N"))
+      {
+        parameters.N_ = object["N"].get<double>();
+      }
 
-        auto reactants = ParseReactants(object[REACTANTS]);
-        auto alkoxy_products = ParseProducts(object[ALKOXY_PRODUCTS]);
-        auto nitrate_products = ParseProducts(object[NITRATE_PRODUCTS]);
+      ternary_rate_arr_.push_back(TernaryChemicalActivationRateConstant(parameters));
 
-        if (reactants.first != ConfigParseStatus::Success)
-        {
-          return reactants.first;
-        }
+      std::unique_ptr<TernaryChemicalActivationRateConstant> rate_ptr =
+          std::make_unique<TernaryChemicalActivationRateConstant>(parameters);
 
-        if (alkoxy_products.first != ConfigParseStatus::Success)
-        {
-          return alkoxy_products.first;
-        }
+      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
-        if (nitrate_products.first != ConfigParseStatus::Success)
-        {
-          return nitrate_products.first;
-        }
+      return ConfigParseStatus::Success;
+    }
 
-        BranchedRateConstantParameters parameters;
-        parameters.X_ = object[X].get<double>();
-        parameters.Y_ = object[Y].get<double>();
-        parameters.a0_ = object[A0].get<double>();
-        parameters.n_ = object[N].get<int>();
+    ConfigParseStatus ParseBranched(const json& object)
+    {
+      const std::string REACTANTS = "reactants";
+      const std::string ALKOXY_PRODUCTS = "alkoxy products";
+      const std::string NITRATE_PRODUCTS = "nitrate products";
+      const std::string X = "X";
+      const std::string Y = "Y";
+      const std::string A0 = "a0";
+      const std::string N = "n";
+
+      auto status = ValidateSchema(object, { "type", REACTANTS, ALKOXY_PRODUCTS, NITRATE_PRODUCTS, X, Y, A0, N }, {});
+      if (status != ConfigParseStatus::Success)
+      {
+        return status;
+      }
 
-        // Alkoxy branch
-        parameters.branch_ = BranchedRateConstantParameters::Branch::Alkoxy;
-        branched_rate_arr_.push_back(BranchedRateConstant(parameters));
-        std::unique_ptr<BranchedRateConstant> rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
-        processes_.push_back(Process(reactants.second, alkoxy_products.second, std::move(rate_ptr), gas_phase_));
+      auto reactants = ParseReactants(object[REACTANTS]);
+      auto alkoxy_products = ParseProducts(object[ALKOXY_PRODUCTS]);
+      auto nitrate_products = ParseProducts(object[NITRATE_PRODUCTS]);
 
-        // Nitrate branch
-        parameters.branch_ = BranchedRateConstantParameters::Branch::Nitrate;
-        branched_rate_arr_.push_back(BranchedRateConstant(parameters));
-        rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
-        processes_.push_back(Process(reactants.second, nitrate_products.second, std::move(rate_ptr), gas_phase_));
+      if (reactants.first != ConfigParseStatus::Success)
+      {
+        return reactants.first;
+      }
 
-        return ConfigParseStatus::Success;
+      if (alkoxy_products.first != ConfigParseStatus::Success)
+      {
+        return alkoxy_products.first;
       }
 
-      ConfigParseStatus ParseTunneling(const json& object)
+      if (nitrate_products.first != ConfigParseStatus::Success)
       {
-        const std::string REACTANTS = "reactants";
-        const std::string PRODUCTS = "products";
+        return nitrate_products.first;
+      }
 
-        auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS }, { "A", "B", "C" });
-        if (status != ConfigParseStatus::Success)
-        {
-          return status;
-        }
+      BranchedRateConstantParameters parameters;
+      parameters.X_ = object[X].get<double>();
+      parameters.Y_ = object[Y].get<double>();
+      parameters.a0_ = object[A0].get<double>();
+      parameters.n_ = object[N].get<int>();
 
-        auto reactants = ParseReactants(object[REACTANTS]);
-        auto products = ParseProducts(object[PRODUCTS]);
+      // Alkoxy branch
+      parameters.branch_ = BranchedRateConstantParameters::Branch::Alkoxy;
+      branched_rate_arr_.push_back(BranchedRateConstant(parameters));
+      std::unique_ptr<BranchedRateConstant> rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
+      processes_.push_back(Process(reactants.second, alkoxy_products.second, std::move(rate_ptr), gas_phase_));
 
-        if (reactants.first != ConfigParseStatus::Success)
-        {
-          return reactants.first;
-        }
+      // Nitrate branch
+      parameters.branch_ = BranchedRateConstantParameters::Branch::Nitrate;
+      branched_rate_arr_.push_back(BranchedRateConstant(parameters));
+      rate_ptr = std::make_unique<BranchedRateConstant>(parameters);
+      processes_.push_back(Process(reactants.second, nitrate_products.second, std::move(rate_ptr), gas_phase_));
 
-        if (products.first != ConfigParseStatus::Success)
-        {
-          return products.first;
-        }
+      return ConfigParseStatus::Success;
+    }
 
-        TunnelingRateConstantParameters parameters;
-        if (object.contains("A"))
-        {
-          parameters.A_ = object["A"].get<double>();
-        }
-        if (object.contains("B"))
-        {
-          parameters.B_ = object["B"].get<double>();
-        }
-        if (object.contains("C"))
-        {
-          parameters.C_ = object["C"].get<double>();
-        }
+    ConfigParseStatus ParseTunneling(const json& object)
+    {
+      const std::string REACTANTS = "reactants";
+      const std::string PRODUCTS = "products";
 
-        tunneling_rate_arr_.push_back(TunnelingRateConstant(parameters));
+      auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS }, { "A", "B", "C" });
+      if (status != ConfigParseStatus::Success)
+      {
+        return status;
+      }
 
-        std::unique_ptr<TunnelingRateConstant> rate_ptr = std::make_unique<TunnelingRateConstant>(parameters);
+      auto reactants = ParseReactants(object[REACTANTS]);
+      auto products = ParseProducts(object[PRODUCTS]);
 
-        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
+      if (reactants.first != ConfigParseStatus::Success)
+      {
+        return reactants.first;
+      }
 
-        return ConfigParseStatus::Success;
+      if (products.first != ConfigParseStatus::Success)
+      {
+        return products.first;
       }
 
-      ConfigParseStatus ParseSurface(const json& object)
+      TunnelingRateConstantParameters parameters;
+      if (object.contains("A"))
+      {
+        parameters.A_ = object["A"].get<double>();
+      }
+      if (object.contains("B"))
+      {
+        parameters.B_ = object["B"].get<double>();
+      }
+      if (object.contains("C"))
       {
-        const std::string REACTANTS = "gas-phase reactant";
-        const std::string PRODUCTS = "gas-phase products";
-        const std::string MUSICA_NAME = "MUSICA name";
-        const std::string PROBABILITY = "reaction probability";
+        parameters.C_ = object["C"].get<double>();
+      }
 
-        auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, { PROBABILITY });
-        if (status != ConfigParseStatus::Success)
-        {
-          return status;
-        }
+      tunneling_rate_arr_.push_back(TunnelingRateConstant(parameters));
 
-        std::string species_name = object[REACTANTS].get<std::string>();
-        json reactants_object{};
-        reactants_object[species_name] = { {} };
+      std::unique_ptr<TunnelingRateConstant> rate_ptr = std::make_unique<TunnelingRateConstant>(parameters);
 
-        auto reactants = ParseReactants(reactants_object);
-        auto products = ParseProducts(object[PRODUCTS]);
+      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
-        if (reactants.first != ConfigParseStatus::Success)
-        {
-          return reactants.first;
-        }
+      return ConfigParseStatus::Success;
+    }
 
-        if (products.first != ConfigParseStatus::Success)
-        {
-          return products.first;
-        }
+    ConfigParseStatus ParseSurface(const json& object)
+    {
+      const std::string REACTANTS = "gas-phase reactant";
+      const std::string PRODUCTS = "gas-phase products";
+      const std::string MUSICA_NAME = "MUSICA name";
+      const std::string PROBABILITY = "reaction probability";
 
-        Species reactant_species = Species("");
-        for (auto& species : species_arr_)
-        {
-          if (species.name_ == species_name)
-          {
-            reactant_species = species;
-            break;
-          }
-        }
-        SurfaceRateConstantParameters parameters{ .label_ = "SURF." + object[MUSICA_NAME].get<std::string>(),
-                                                  .species_ = reactant_species };
+      auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, { PROBABILITY });
+      if (status != ConfigParseStatus::Success)
+      {
+        return status;
+      }
 
-        if (object.contains(PROBABILITY))
+      std::string species_name = object[REACTANTS].get<std::string>();
+      json reactants_object{};
+      reactants_object[species_name] = { {} };
+
+      auto reactants = ParseReactants(reactants_object);
+      auto products = ParseProducts(object[PRODUCTS]);
+
+      if (reactants.first != ConfigParseStatus::Success)
+      {
+        return reactants.first;
+      }
+
+      if (products.first != ConfigParseStatus::Success)
+      {
+        return products.first;
+      }
+
+      Species reactant_species = Species("");
+      for (auto& species : species_arr_)
+      {
+        if (species.name_ == species_name)
         {
-          parameters.reaction_probability_ = object[PROBABILITY].get<double>();
+          reactant_species = species;
+          break;
         }
+      }
+      SurfaceRateConstantParameters parameters{ .label_ = "SURF." + object[MUSICA_NAME].get<std::string>(),
+                                                .species_ = reactant_species };
+
+      if (object.contains(PROBABILITY))
+      {
+        parameters.reaction_probability_ = object[PROBABILITY].get<double>();
+      }
 
-        surface_rate_arr_.push_back(SurfaceRateConstant(parameters));
+      surface_rate_arr_.push_back(SurfaceRateConstant(parameters));
 
-        std::unique_ptr<SurfaceRateConstant> rate_ptr = std::make_unique<SurfaceRateConstant>(parameters);
-        processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
+      std::unique_ptr<SurfaceRateConstant> rate_ptr = std::make_unique<SurfaceRateConstant>(parameters);
+      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
-        return ConfigParseStatus::Success;
-      }
+      return ConfigParseStatus::Success;
+    }
 
     /// @brief Search for nonstandard keys. Only nonstandard keys starting with __ are allowed. Others are considered typos
     /// @param object the object whose keys need to be validated
@@ -1003,32 +1001,32 @@ namespace micm
   template<class ConfigTypePolicy = JsonReaderPolicy>
   class SolverConfig : public ConfigTypePolicy
   {
-    private:
-      ConfigParseStatus last_parse_status_ = ConfigParseStatus::None;
+   private:
+    ConfigParseStatus last_parse_status_ = ConfigParseStatus::None;
+
+   public:
+    /// @brief Reads and parses configures
+    /// @param config_dir Path to a the configuration directory
+    /// @return an enum indicating the success or failure of the parse
+    [[nodiscard]] ConfigParseStatus ReadAndParse(const std::filesystem::path& config_dir)
+    {
+      last_parse_status_ = this->Parse(config_dir);
+      return last_parse_status_;
+    }
 
-    public:
-      /// @brief Reads and parses configures
-      /// @param config_dir Path to a the configuration directory
-      /// @return an enum indicating the success or failure of the parse
-      [[nodiscard]] ConfigParseStatus ReadAndParse(const std::filesystem::path& config_dir)
+    /// @brief Creates and returns SolverParameters
+    /// @return SolverParameters that contains 'System' and a collection of 'Process'
+    SolverParameters GetSolverParams()
+    {
+      if (last_parse_status_ != ConfigParseStatus::Success)
       {
-        last_parse_status_ = this->Parse(config_dir);
-        return last_parse_status_;
+        std::string msg = "Parsing configuration files failed. The parsing failed with error: " +
+                          configParseStatusToString(last_parse_status_);
+        throw std::runtime_error(msg);
       }
 
-      /// @brief Creates and returns SolverParameters
-      /// @return SolverParameters that contains 'System' and a collection of 'Process'
-      SolverParameters GetSolverParams()
-      {
-        if (last_parse_status_ != ConfigParseStatus::Success)
-        {
-          std::string msg = "Parsing configuration files failed. The parsing failed with error: " +
-                            configParseStatusToString(last_parse_status_);
-          throw std::runtime_error(msg);
-        }
-
-        return SolverParameters(
+      return SolverParameters(
           std::move(System(std::move(this->gas_phase_), std::move(this->phases_))), std::move(this->processes_));
-      }
+    }
   };
 }  // namespace micm

From ecfcba7ec757adb8a3c8140fccb9abb3925ce946 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 31 Oct 2023 13:12:37 -0500
Subject: [PATCH 213/318] correcting config for cmake integration test

---
 test/integration/cmake/configs/robertson/config.json | 1 +
 1 file changed, 1 insertion(+)
 create mode 100644 test/integration/cmake/configs/robertson/config.json

diff --git a/test/integration/cmake/configs/robertson/config.json b/test/integration/cmake/configs/robertson/config.json
new file mode 100644
index 000000000..61165b00d
--- /dev/null
+++ b/test/integration/cmake/configs/robertson/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json"]}

From fa541155859e59d0cb413cefbca9de15d47828f4 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 31 Oct 2023 16:04:29 -0500
Subject: [PATCH 214/318] fixing bad merge

---
 include/micm/configure/solver_config.hpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index fb51639c3..1f69dd332 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -895,7 +895,7 @@ namespace micm
 
       std::string species_name = object[REACTANTS].get<std::string>();
       json reactants_object{};
-      reactants_object[species_name] = { {} };
+      reactants_object[species_name] = { };
 
       auto reactants = ParseReactants(reactants_object);
       auto products = ParseProducts(object[PRODUCTS]);

From 25a3f820f97c5da9a8b6792c637a465fad08f4bd Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Tue, 31 Oct 2023 16:19:31 -0700
Subject: [PATCH 215/318] optimize jit functions

---
 docker/Dockerfile.llvm                        |  1 +
 include/micm/jit/jit_compiler.hpp             | 19 ++++
 include/micm/jit/jit_function.hpp             |  3 +
 test/unit/process/CMakeLists.txt              |  1 +
 test/unit/process/forcing_calculation.cpp     | 63 ++++++++++++
 test/unit/process/forcing_calculation.hpp     | 11 +++
 .../process/test_jit_forcing_calculation.cpp  | 95 +++++++++++++++++++
 test/unit/process/test_jit_process_set.cpp    | 38 ++++----
 test/unit/process/test_process_set.cpp        | 12 +--
 9 files changed, 218 insertions(+), 25 deletions(-)
 create mode 100644 test/unit/process/forcing_calculation.cpp
 create mode 100644 test/unit/process/forcing_calculation.hpp
 create mode 100644 test/unit/process/test_jit_forcing_calculation.cpp

diff --git a/docker/Dockerfile.llvm b/docker/Dockerfile.llvm
index 78767b7a8..a23e6ab68 100644
--- a/docker/Dockerfile.llvm
+++ b/docker/Dockerfile.llvm
@@ -2,6 +2,7 @@ FROM fedora:37
 
 RUN dnf -y update \
     && dnf -y install \
+        clang \
         cmake \
         gcc-c++ \
         gdb \
diff --git a/include/micm/jit/jit_compiler.hpp b/include/micm/jit/jit_compiler.hpp
index 356f0fbf8..12e63762d 100644
--- a/include/micm/jit/jit_compiler.hpp
+++ b/include/micm/jit/jit_compiler.hpp
@@ -11,6 +11,7 @@
 #include <memory>
 
 #include "llvm/ADT/StringRef.h"
+#include "llvm/Analysis/LoopAccessAnalysis.h"
 #include "llvm/ExecutionEngine/JITSymbol.h"
 #include "llvm/ExecutionEngine/Orc/CompileUtils.h"
 #include "llvm/ExecutionEngine/Orc/Core.h"
@@ -26,8 +27,11 @@
 #include "llvm/IR/LegacyPassManager.h"
 #include "llvm/Support/TargetSelect.h"
 #include "llvm/Transforms/InstCombine/InstCombine.h"
+#include "llvm/Transforms/IPO.h"
 #include "llvm/Transforms/Scalar.h"
 #include "llvm/Transforms/Scalar/GVN.h"
+#include "llvm/Transforms/Utils.h"
+#include "llvm/Transforms/Vectorize.h"
 
 namespace micm
 {
@@ -129,17 +133,32 @@ namespace micm
             // Create a function pass manager.
             auto pass_manager = std::make_unique<llvm::legacy::FunctionPassManager>(&module);
 
+            llvm::VectorizerParams::VectorizationFactor = 2;
+
             // Add some optimizations.
+            pass_manager->add(llvm::createLoopRotatePass());
+            pass_manager->add(llvm::createLICMPass());
             pass_manager->add(llvm::createInstructionCombiningPass());
             pass_manager->add(llvm::createReassociatePass());
+            pass_manager->add(llvm::createPromoteMemoryToRegisterPass());
             pass_manager->add(llvm::createGVNPass());
             pass_manager->add(llvm::createCFGSimplificationPass());
+            pass_manager->add(llvm::createLoopVectorizePass());
+            pass_manager->add(llvm::createSLPVectorizerPass());
+            //pass_manager->add(llvm::createGlobalOptimizerPass());
             pass_manager->doInitialization();
 
             // Run the optimizations over all functions in the module being added to
             // the JIT.
             for (auto &function : module)
+            {
               pass_manager->run(function);
+#if 0
+              std::cout << "Generated function definition:" << std::endl;
+              function.print(llvm::errs());
+              std::cout << std::endl;
+#endif
+            }
           });
 
       return std::move(threadsafe_module);
diff --git a/include/micm/jit/jit_function.hpp b/include/micm/jit/jit_function.hpp
index b7ba12fee..d8178d180 100644
--- a/include/micm/jit/jit_function.hpp
+++ b/include/micm/jit/jit_function.hpp
@@ -10,6 +10,7 @@
 #include <memory>
 
 #include "jit_compiler.hpp"
+#include "llvm/IR/Attributes.h"
 #include "llvm/IR/BasicBlock.h"
 #include "llvm/IR/Constants.h"
 #include "llvm/IR/DerivedTypes.h"
@@ -184,6 +185,8 @@ namespace micm
       arg.arg_ = arg_iter++;
       arg.arg_->setName(arg.name_);
     }
+    for (unsigned int i = 0; i < arguments_.size(); ++i)
+      function_->addParamAttr(i, llvm::Attribute::NoAlias);
 
     // function body
 
diff --git a/test/unit/process/CMakeLists.txt b/test/unit/process/CMakeLists.txt
index ce767e174..9d81cdc65 100644
--- a/test/unit/process/CMakeLists.txt
+++ b/test/unit/process/CMakeLists.txt
@@ -27,4 +27,5 @@ endif()
 
 if(ENABLE_LLVM)
   create_standard_test(NAME jit_process_set SOURCES test_jit_process_set.cpp)
+  create_standard_test(NAME jit_forcing_calculation SOURCES test_jit_forcing_calculation.cpp forcing_calculation.cpp)
 endif()
\ No newline at end of file
diff --git a/test/unit/process/forcing_calculation.cpp b/test/unit/process/forcing_calculation.cpp
new file mode 100644
index 000000000..c402b1c0d
--- /dev/null
+++ b/test/unit/process/forcing_calculation.cpp
@@ -0,0 +1,63 @@
+// Copyright (C) 2023 National Center for Atmospheric Research,
+// SPDX-License-Identifier: Apache-2.0
+//
+// A function hard-coded to calculate forcing for a toy chemistry system.
+// This can be used to compare with the corresponding JITed function
+
+#include "forcing_calculation.hpp"
+
+#define SPEC_A 0
+#define SPEC_B 1
+#define SPEC_C 2
+#define SPEC_D 3
+#define SPEC_E 4
+#define SPEC_F 5
+
+void calculate_forcing(double* rate_constants, double* state, double* forcing)
+{
+  double rate[NUM_GRID_CELLS];
+
+  // Reaction 1: A + B -> 3.2 D
+  for (int i = 0; i < NUM_GRID_CELLS; ++i)
+    rate[i] = rate_constants[i];
+  for (int i = 0; i < NUM_GRID_CELLS; ++i)
+    rate[i] *= state[SPEC_A * NUM_GRID_CELLS + i];
+  for (int i = 0; i < NUM_GRID_CELLS; ++i)
+    rate[i] *= state[SPEC_B * NUM_GRID_CELLS + i];
+  for (int i = 0; i < NUM_GRID_CELLS; ++i)
+    forcing[SPEC_A * NUM_GRID_CELLS + i] -= rate[i];
+  for (int i = 0; i < NUM_GRID_CELLS; ++i)
+    forcing[SPEC_B * NUM_GRID_CELLS + i] -= rate[i];
+  for (int i = 0; i < NUM_GRID_CELLS; ++i)
+    forcing[SPEC_D * NUM_GRID_CELLS + i] += 3.2 * rate[i];
+
+  // Reaction 2: E + C -> A + 2 F
+  for (int i = 0; i < NUM_GRID_CELLS; ++i)
+    rate[i] = rate_constants[NUM_GRID_CELLS + i];
+  for (int i = 0; i < NUM_GRID_CELLS; ++i)
+    rate[i] *= state[SPEC_E * NUM_GRID_CELLS + i];
+  for (int i = 0; i < NUM_GRID_CELLS; ++i)
+    rate[i] *= state[SPEC_C * NUM_GRID_CELLS + i];
+  for (int i = 0; i < NUM_GRID_CELLS; ++i)
+    forcing[SPEC_E * NUM_GRID_CELLS + i] -= rate[i];
+  for (int i = 0; i < NUM_GRID_CELLS; ++i)
+    forcing[SPEC_C * NUM_GRID_CELLS + i] -= rate[i];
+  for (int i = 0; i < NUM_GRID_CELLS; ++i)
+    forcing[SPEC_A * NUM_GRID_CELLS + i] += rate[i];
+  for (int i = 0; i < NUM_GRID_CELLS; ++i)
+    forcing[SPEC_F * NUM_GRID_CELLS + i] += 2.0 * rate[i];
+
+  // Reaction 3: C + B -> A
+  for (int i = 0; i < NUM_GRID_CELLS; ++i)
+    rate[i] = rate_constants[2 * NUM_GRID_CELLS + i];
+  for (int i = 0; i < NUM_GRID_CELLS; ++i)
+    rate[i] *= state[SPEC_C * NUM_GRID_CELLS + i];
+  for (int i = 0; i < NUM_GRID_CELLS; ++i)
+    rate[i] *= state[SPEC_B * NUM_GRID_CELLS + i];
+  for (int i = 0; i < NUM_GRID_CELLS; ++i)
+    forcing[SPEC_C * NUM_GRID_CELLS + i] -= rate[i];
+  for (int i = 0; i < NUM_GRID_CELLS; ++i)
+    forcing[SPEC_B * NUM_GRID_CELLS + i] -= rate[i];
+  for (int i = 0; i < NUM_GRID_CELLS; ++i)
+    forcing[SPEC_A * NUM_GRID_CELLS + i] += rate[i];
+}
\ No newline at end of file
diff --git a/test/unit/process/forcing_calculation.hpp b/test/unit/process/forcing_calculation.hpp
new file mode 100644
index 000000000..116d2ba75
--- /dev/null
+++ b/test/unit/process/forcing_calculation.hpp
@@ -0,0 +1,11 @@
+// Copyright (C) 2023 National Center for Atmospheric Research,
+// SPDX-License-Identifier: Apache-2.0
+//
+// A function hard-coded to calculate forcing for a toy chemistry system.
+// This can be used to compare with the corresponding JITed function
+
+#pragma once
+
+#define NUM_GRID_CELLS 1000
+
+void calculate_forcing(double* rate_constants, double* state, double* forcing);
\ No newline at end of file
diff --git a/test/unit/process/test_jit_forcing_calculation.cpp b/test/unit/process/test_jit_forcing_calculation.cpp
new file mode 100644
index 000000000..4b7d93261
--- /dev/null
+++ b/test/unit/process/test_jit_forcing_calculation.cpp
@@ -0,0 +1,95 @@
+// Copyright (C) 2023 National Center for Atmospheric Research,
+// SPDX-License-Identifier: Apache-2.0
+//
+// A comparison of the JITed forcing function with a hard-coded equivalent
+// for a small chemical system.
+//
+// This code can be used as a test and a way to compare the IR of the
+// JITed function with an optimized compilation of the hard-coded function
+
+#include <gtest/gtest.h>
+
+#include <chrono>
+#include <micm/process/jit_process_set.hpp>
+#include <micm/util/sparse_matrix.hpp>
+#include <micm/util/sparse_matrix_vector_ordering.hpp>
+#include <micm/util/vector_matrix.hpp>
+
+#include "forcing_calculation.hpp"
+
+#define NUM_ITERATIONS 100
+
+template<class T>
+using ForcingTestVectorMatrix = micm::VectorMatrix<T, NUM_GRID_CELLS>;
+template<class T>
+using ForcingTestSparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<NUM_GRID_CELLS>>;
+
+TEST(JitProcessSet, ForcingFunction)
+{
+  auto a = micm::Species("A");
+  auto b = micm::Species("B");
+  auto c = micm::Species("C");
+  auto d = micm::Species("D");
+  auto e = micm::Species("E");
+  auto f = micm::Species("F");
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ a, b, c, d, e, f } };
+
+  micm::State<ForcingTestVectorMatrix, ForcingTestSparseVectorMatrix> state(
+      micm::StateParameters{ .number_of_grid_cells_ = NUM_GRID_CELLS,
+                             .number_of_rate_constants_ = 3,
+                             .variable_names_{ "A", "B", "C", "D", "E", "F" } });
+
+  micm::Process r1 = micm::Process::create().reactants({ a, b }).products({ micm::Yield{ d, 3.2 } }).phase(gas_phase);
+
+  micm::Process r2 = micm::Process::create()
+                         .reactants({ e, c })
+                         .products({ micm::Yield{ a, 1.0 }, micm::Yield{ f, 2.0 } })
+                         .phase(gas_phase);
+
+  micm::Process r3 = micm::Process::create().reactants({ c, b }).products({ micm::Yield{ a, 1.0 } }).phase(gas_phase);
+
+  std::vector<micm::Process> processes{ r1, r2, r3 };
+
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  micm::JitProcessSet<NUM_GRID_CELLS> process_set{ jit.get(), processes, state.variable_map_ };
+
+  ForcingTestVectorMatrix<double> rate_constants{ NUM_GRID_CELLS, 3 };
+  ForcingTestVectorMatrix<double> forcing{ NUM_GRID_CELLS, 6, 0.0 };
+  ForcingTestVectorMatrix<double> jit_forcing{ NUM_GRID_CELLS, 6, 0.0 };
+  for (int i = 0; i < 3 * NUM_GRID_CELLS; ++i)
+    rate_constants.AsVector()[i] = i * 2.0;
+  for (int i = 0; i < 6 * NUM_GRID_CELLS; ++i)
+    state.variables_.AsVector()[i] = i * 1.0;
+
+  std::chrono::nanoseconds fixed_time{ 0 };
+  std::chrono::nanoseconds jit_time{ 0 };
+  for (std::size_t i = 0; i < NUM_ITERATIONS; ++i)
+  {
+    for (auto& elem : forcing.AsVector())
+      elem = 0.0;
+    auto start = std::chrono::high_resolution_clock::now();
+    calculate_forcing(rate_constants.AsVector().data(), state.variables_.AsVector().data(), forcing.AsVector().data());
+    auto end = std::chrono::high_resolution_clock::now();
+    fixed_time += std::chrono::duration_cast<std::chrono::nanoseconds>(end - start);
+    for (auto& elem : jit_forcing.AsVector())
+      elem = 0.0;
+    start = std::chrono::high_resolution_clock::now();
+    process_set.template AddForcingTerms<ForcingTestVectorMatrix>(rate_constants, state.variables_, jit_forcing);
+    end = std::chrono::high_resolution_clock::now();
+    jit_time += std::chrono::duration_cast<std::chrono::nanoseconds>(end - start);
+    for (std::size_t i = 0; i < forcing.AsVector().size(); ++i)
+    {
+      EXPECT_EQ(forcing.AsVector()[i], jit_forcing.AsVector()[i]);
+    }
+  }
+  std::cout << "Fixed forcing calculation time " << ((double)fixed_time.count()) / NUM_GRID_CELLS / NUM_ITERATIONS
+            << " ns per grid cell" << std::endl;
+  std::cout << "JITed forcing calculation time " << ((double)jit_time.count()) / NUM_GRID_CELLS / NUM_ITERATIONS
+            << " ns per grid cell" << std::endl;
+}
\ No newline at end of file
diff --git a/test/unit/process/test_jit_process_set.cpp b/test/unit/process/test_jit_process_set.cpp
index e1476070d..3b63d6c39 100644
--- a/test/unit/process/test_jit_process_set.cpp
+++ b/test/unit/process/test_jit_process_set.cpp
@@ -11,11 +11,11 @@
 template<class T>
 using Group2VectorMatrix = micm::VectorMatrix<T, 2>;
 template<class T>
-using Group2000VectorMatrix = micm::VectorMatrix<T, 2000>;
+using Group200VectorMatrix = micm::VectorMatrix<T, 200>;
 template<class T>
-using Group3000VectorMatrix = micm::VectorMatrix<T, 3000>;
+using Group300VectorMatrix = micm::VectorMatrix<T, 300>;
 template<class T>
-using Group4000VectorMatrix = micm::VectorMatrix<T, 4000>;
+using Group400VectorMatrix = micm::VectorMatrix<T, 400>;
 
 template<class T>
 using Group2SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<2>>;
@@ -43,36 +43,36 @@ TEST(RandomJitProcessSet, VectorMatrix)
     llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
     EXPECT_TRUE(false);
   }
-  testRandomSystem<Group2000VectorMatrix, micm::StandardSparseMatrix, micm::JitProcessSet<2000>>(
-      2000,
+  testRandomSystem<Group200VectorMatrix, micm::StandardSparseMatrix, micm::JitProcessSet<200>>(
+      200,
       20,
       30,
       [&](const std::vector<micm::Process>& processes,
-          const micm::State<Group2000VectorMatrix>& state) -> micm::JitProcessSet<2000> {
-        return micm::JitProcessSet<2000>{ jit.get(), processes, state.variable_map_ };
+          const micm::State<Group200VectorMatrix>& state) -> micm::JitProcessSet<200> {
+        return micm::JitProcessSet<200>{ jit.get(), processes, state.variable_map_ };
       });
-  testRandomSystem<Group3000VectorMatrix, micm::StandardSparseMatrix, micm::JitProcessSet<3000>>(
-      3000,
+  testRandomSystem<Group300VectorMatrix, micm::StandardSparseMatrix, micm::JitProcessSet<300>>(
+      300,
       50,
       40,
       [&](const std::vector<micm::Process>& processes,
-          const micm::State<Group3000VectorMatrix>& state) -> micm::JitProcessSet<3000> {
-        return micm::JitProcessSet<3000>{ jit.get(), processes, state.variable_map_ };
+          const micm::State<Group300VectorMatrix>& state) -> micm::JitProcessSet<300> {
+        return micm::JitProcessSet<300>{ jit.get(), processes, state.variable_map_ };
       });
-  testRandomSystem<Group3000VectorMatrix, micm::StandardSparseMatrix, micm::JitProcessSet<3000>>(
-      3000,
+  testRandomSystem<Group300VectorMatrix, micm::StandardSparseMatrix, micm::JitProcessSet<300>>(
+      300,
       30,
       20,
       [&](const std::vector<micm::Process>& processes,
-          const micm::State<Group3000VectorMatrix>& state) -> micm::JitProcessSet<3000> {
-        return micm::JitProcessSet<3000>{ jit.get(), processes, state.variable_map_ };
+          const micm::State<Group300VectorMatrix>& state) -> micm::JitProcessSet<300> {
+        return micm::JitProcessSet<300>{ jit.get(), processes, state.variable_map_ };
       });
-  testRandomSystem<Group4000VectorMatrix, micm::StandardSparseMatrix, micm::JitProcessSet<4000>>(
-      4000,
+  testRandomSystem<Group400VectorMatrix, micm::StandardSparseMatrix, micm::JitProcessSet<400>>(
+      400,
       100,
       80,
       [&](const std::vector<micm::Process>& processes,
-          const micm::State<Group4000VectorMatrix>& state) -> micm::JitProcessSet<4000> {
-        return micm::JitProcessSet<4000>{ jit.get(), processes, state.variable_map_ };
+          const micm::State<Group400VectorMatrix>& state) -> micm::JitProcessSet<400> {
+        return micm::JitProcessSet<400>{ jit.get(), processes, state.variable_map_ };
       });
 }
\ No newline at end of file
diff --git a/test/unit/process/test_process_set.cpp b/test/unit/process/test_process_set.cpp
index d181090f9..48d7d9500 100644
--- a/test/unit/process/test_process_set.cpp
+++ b/test/unit/process/test_process_set.cpp
@@ -67,24 +67,24 @@ TEST(ProcessSet, VectorMatrix)
 TEST(RandomProcessSet, Matrix)
 {
   testRandomSystem<micm::Matrix, SparseMatrixTest, micm::ProcessSet>(
-      2000,
-      500,
+      20,
+      50,
       400,
       [](const std::vector<micm::Process>& processes,
          const micm::State<micm::Matrix, SparseMatrixTest>& state) -> micm::ProcessSet {
         return micm::ProcessSet{ processes, state.variable_map_ };
       });
   testRandomSystem<micm::Matrix, SparseMatrixTest, micm::ProcessSet>(
-      3000,
-      300,
+      30,
+      30,
       200,
       [](const std::vector<micm::Process>& processes,
          const micm::State<micm::Matrix, SparseMatrixTest>& state) -> micm::ProcessSet {
         return micm::ProcessSet{ processes, state.variable_map_ };
       });
   testRandomSystem<micm::Matrix, SparseMatrixTest, micm::ProcessSet>(
-      4000,
-      100,
+      40,
+      10,
       80,
       [](const std::vector<micm::Process>& processes,
          const micm::State<micm::Matrix, SparseMatrixTest>& state) -> micm::ProcessSet {

From e2ea7935d7b5c524fd2feb421946c33b26f55559 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 1 Nov 2023 10:20:09 -0500
Subject: [PATCH 216/318] removing typename

---
 test/tutorial/test_jit_tutorial.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/test/tutorial/test_jit_tutorial.cpp b/test/tutorial/test_jit_tutorial.cpp
index 1d6b33961..a4fd968b2 100644
--- a/test/tutorial/test_jit_tutorial.cpp
+++ b/test/tutorial/test_jit_tutorial.cpp
@@ -20,7 +20,7 @@ using GroupSparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOr
 template<typename T>
 auto run_solver(T& solver)
 {
-  typename T::SolverStats total_stats;
+  SolverStats total_stats;
   State state = solver.GetState();
 
   state.variables_ = 1;

From 998c77bf718b56448b452f28b5ab000465dfb2a8 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 1 Nov 2023 11:11:27 -0500
Subject: [PATCH 217/318] space

---
 docs/source/user_guide/jit.rst      | 2 +-
 test/tutorial/test_jit_tutorial.cpp | 4 ++--
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/docs/source/user_guide/jit.rst b/docs/source/user_guide/jit.rst
index 774661467..f91a28753 100644
--- a/docs/source/user_guide/jit.rst
+++ b/docs/source/user_guide/jit.rst
@@ -74,7 +74,7 @@ grid cells to be solved simultaneously.
   :lines: 14-18
 
 Now, all at once, is the function which runs either type of solver. We set all species
-concentrations to 1 :math:`\mathrm{mol m^-3}` and set the rate paramters for all of the
+concentrations to 1 :math:`\mathrm{mol\ m^-3}` and set the rate paramters for all of the
 photolysis and emissions reactions. Additionally, we are collecting all of the solver
 stats across all solving timesteps
 
diff --git a/test/tutorial/test_jit_tutorial.cpp b/test/tutorial/test_jit_tutorial.cpp
index a4fd968b2..f9fbdc2c0 100644
--- a/test/tutorial/test_jit_tutorial.cpp
+++ b/test/tutorial/test_jit_tutorial.cpp
@@ -17,8 +17,8 @@ using GroupVectorMatrix = micm::VectorMatrix<T, n_grid_cells>;
 template<class T>
 using GroupSparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<n_grid_cells>>;
 
-template<typename T>
-auto run_solver(T& solver)
+
+auto run_solver(auto& solver)
 {
   SolverStats total_stats;
   State state = solver.GetState();

From cd8e3166b5a5e1d684c781a5b61fec58b98dfd44 Mon Sep 17 00:00:00 2001
From: GitHub Actions <actions@github.com>
Date: Wed, 1 Nov 2023 17:44:38 +0000
Subject: [PATCH 218/318] Auto-format code using Clang-Format

---
 include/micm/configure/solver_config.hpp     |  24 ++--
 include/micm/util/matrix.hpp                 |   5 +-
 include/micm/util/sparse_matrix.hpp          |   5 +-
 include/micm/util/vector_matrix.hpp          |   5 +-
 test/tutorial/test_jit_tutorial.cpp          | 118 +++++++++----------
 test/unit/util/test_matrix_policy.hpp        |   3 +-
 test/unit/util/test_sparse_matrix_policy.hpp |   3 +-
 7 files changed, 85 insertions(+), 78 deletions(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 1f69dd332..ddf79c85c 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -456,7 +456,7 @@ namespace micm
       const std::string MUSICA_NAME = "MUSICA name";
       const std::string SCALING_FACTOR = "scaling_factor";
 
-      auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, {SCALING_FACTOR});
+      auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, { SCALING_FACTOR });
       if (status != ConfigParseStatus::Success)
       {
         return status;
@@ -474,8 +474,9 @@ namespace micm
       {
         return products.first;
       }
-        
-      if (object.contains(SCALING_FACTOR)){
+
+      if (object.contains(SCALING_FACTOR))
+      {
         std::cerr << "Scaling factor supplied to photolysis rate. This is not yet implemented." << std::endl;
       }
 
@@ -803,7 +804,7 @@ namespace micm
       const std::string PRODUCTS = "products";
       const std::string SCALING_FACTOR = "scaling factor";
 
-      auto status = ValidateSchema(object, { "type", SPECIES, MUSICA_NAME }, {SCALING_FACTOR, PRODUCTS});
+      auto status = ValidateSchema(object, { "type", SPECIES, MUSICA_NAME }, { SCALING_FACTOR, PRODUCTS });
       if (status != ConfigParseStatus::Success)
       {
         return status;
@@ -823,12 +824,15 @@ namespace micm
       {
         return products.first;
       }
-        
-      if (object.contains(PRODUCTS)) {
-          std::cerr << "Emission contains products, presumably to record the integrated reaction rate. Ignoring for now" << std::endl;
+
+      if (object.contains(PRODUCTS))
+      {
+        std::cerr << "Emission contains products, presumably to record the integrated reaction rate. Ignoring for now"
+                  << std::endl;
       }
-        
-      if (object.contains(SCALING_FACTOR)){
+
+      if (object.contains(SCALING_FACTOR))
+      {
         std::cerr << "Scaling factor supplied to emission rate. This is not yet implemented." << std::endl;
       }
 
@@ -895,7 +899,7 @@ namespace micm
 
       std::string species_name = object[REACTANTS].get<std::string>();
       json reactants_object{};
-      reactants_object[species_name] = { };
+      reactants_object[species_name] = {};
 
       auto reactants = ParseReactants(reactants_object);
       auto products = ParseProducts(object[PRODUCTS]);
diff --git a/include/micm/util/matrix.hpp b/include/micm/util/matrix.hpp
index 0011e2605..7aa5c9300 100644
--- a/include/micm/util/matrix.hpp
+++ b/include/micm/util/matrix.hpp
@@ -189,8 +189,9 @@ namespace micm
       return Proxy(*this, x * y_dim_, y_dim_);
     }
 
-    Matrix& operator=(T val) {
-      std::transform(data_.begin(), data_.end(), data_.begin(), [&](auto& _){ return val;});
+    Matrix &operator=(T val)
+    {
+      std::transform(data_.begin(), data_.end(), data_.begin(), [&](auto &_) { return val; });
       return *this;
     }
 
diff --git a/include/micm/util/sparse_matrix.hpp b/include/micm/util/sparse_matrix.hpp
index 065c17be2..a23f7e109 100644
--- a/include/micm/util/sparse_matrix.hpp
+++ b/include/micm/util/sparse_matrix.hpp
@@ -229,8 +229,9 @@ namespace micm
       return ProxyRow(*this, b);
     }
 
-    SparseMatrix& operator=(T val) {
-      std::transform(data_.begin(), data_.end(), data_.begin(), [&](auto& _){ return val;});
+    SparseMatrix& operator=(T val)
+    {
+      std::transform(data_.begin(), data_.end(), data_.begin(), [&](auto& _) { return val; });
       return *this;
     }
 
diff --git a/include/micm/util/vector_matrix.hpp b/include/micm/util/vector_matrix.hpp
index 35a179408..abb411dcb 100644
--- a/include/micm/util/vector_matrix.hpp
+++ b/include/micm/util/vector_matrix.hpp
@@ -209,8 +209,9 @@ namespace micm
       return Proxy(*this, std::floor(x / L), x % L, y_dim_);
     }
 
-    VectorMatrix& operator=(T val) {
-      std::transform(data_.begin(), data_.end(), data_.begin(), [&](auto& _){ return val;});
+    VectorMatrix &operator=(T val)
+    {
+      std::transform(data_.begin(), data_.end(), data_.begin(), [&](auto &_) { return val; });
       return *this;
     }
 
diff --git a/test/tutorial/test_jit_tutorial.cpp b/test/tutorial/test_jit_tutorial.cpp
index f9fbdc2c0..d5a4353d5 100644
--- a/test/tutorial/test_jit_tutorial.cpp
+++ b/test/tutorial/test_jit_tutorial.cpp
@@ -1,6 +1,5 @@
 #include <chrono>
 #include <iostream>
-
 #include <micm/configure/solver_config.hpp>
 #include <micm/jit/jit_compiler.hpp>
 #include <micm/solver/jit_rosenbrock.hpp>
@@ -17,7 +16,6 @@ using GroupVectorMatrix = micm::VectorMatrix<T, n_grid_cells>;
 template<class T>
 using GroupSparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<n_grid_cells>>;
 
-
 auto run_solver(auto& solver)
 {
   SolverStats total_stats;
@@ -25,46 +23,52 @@ auto run_solver(auto& solver)
 
   state.variables_ = 1;
 
-  for(int i = 0; i < n_grid_cells; ++i) {
+  for (int i = 0; i < n_grid_cells; ++i)
+  {
     state.conditions_[i].temperature_ = 287.45;  // K
     state.conditions_[i].pressure_ = 101319.9;   // Pa
     state.conditions_[i].air_density_ = 1e6;     // mol m-3
   }
 
-  state.SetCustomRateParameter("EMIS.NO",         std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.44e-10));
-  state.SetCustomRateParameter("EMIS.NO2",        std::vector<double>(solver.parameters_.number_of_grid_cells_, 7.56e-12));
-  state.SetCustomRateParameter("EMIS.CO",         std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.9600000000000003e-09));
-  state.SetCustomRateParameter("EMIS.SO2",        std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.06e-09));
-  state.SetCustomRateParameter("EMIS.FORM",       std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.02e-11));
-  state.SetCustomRateParameter("EMIS.MEOH",       std::vector<double>(solver.parameters_.number_of_grid_cells_, 5.920000000000001e-13));
-  state.SetCustomRateParameter("EMIS.ALD2",       std::vector<double>(solver.parameters_.number_of_grid_cells_, 4.25e-12));
-  state.SetCustomRateParameter("EMIS.PAR",        std::vector<double>(solver.parameters_.number_of_grid_cells_, 4.27e-10));
-  state.SetCustomRateParameter("EMIS.ETH",        std::vector<double>(solver.parameters_.number_of_grid_cells_, 4.62e-11));
-  state.SetCustomRateParameter("EMIS.OLE",        std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.49e-11));
-  state.SetCustomRateParameter("EMIS.IOLE",       std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.49e-11));
-  state.SetCustomRateParameter("EMIS.TOL",        std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.53e-11));
-  state.SetCustomRateParameter("EMIS.XYL",        std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.4e-11));
-  state.SetCustomRateParameter("EMIS.ISOP",       std::vector<double>(solver.parameters_.number_of_grid_cells_, 6.03e-12));
-  state.SetCustomRateParameter("PHOTO.NO2",       std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.00477));
-  state.SetCustomRateParameter("PHOTO.O3->O1D",   std::vector<double>(solver.parameters_.number_of_grid_cells_, 2.26e-06));
-  state.SetCustomRateParameter("PHOTO.O3->O3P",   std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.00025299999999999997));
-  state.SetCustomRateParameter("PHOTO.NO3->NO2",  std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.11699999999999999));
-  state.SetCustomRateParameter("PHOTO.NO3->NO",   std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.0144));
-  state.SetCustomRateParameter("PHOTO.HONO",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.000918));
-  state.SetCustomRateParameter("PHOTO.H2O2",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 2.59e-06));
-  state.SetCustomRateParameter("PHOTO.PNA",       std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.89e-06));
-  state.SetCustomRateParameter("PHOTO.HNO3",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 8.61e-08));
-  state.SetCustomRateParameter("PHOTO.NTR",       std::vector<double>(solver.parameters_.number_of_grid_cells_, 4.77e-07));
-  state.SetCustomRateParameter("PHOTO.ROOH",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.81e-06));
-  state.SetCustomRateParameter("PHOTO.MEPX",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.81e-06));
+  state.SetCustomRateParameter("EMIS.NO", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.44e-10));
+  state.SetCustomRateParameter("EMIS.NO2", std::vector<double>(solver.parameters_.number_of_grid_cells_, 7.56e-12));
+  state.SetCustomRateParameter(
+      "EMIS.CO", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.9600000000000003e-09));
+  state.SetCustomRateParameter("EMIS.SO2", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.06e-09));
+  state.SetCustomRateParameter("EMIS.FORM", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.02e-11));
+  state.SetCustomRateParameter(
+      "EMIS.MEOH", std::vector<double>(solver.parameters_.number_of_grid_cells_, 5.920000000000001e-13));
+  state.SetCustomRateParameter("EMIS.ALD2", std::vector<double>(solver.parameters_.number_of_grid_cells_, 4.25e-12));
+  state.SetCustomRateParameter("EMIS.PAR", std::vector<double>(solver.parameters_.number_of_grid_cells_, 4.27e-10));
+  state.SetCustomRateParameter("EMIS.ETH", std::vector<double>(solver.parameters_.number_of_grid_cells_, 4.62e-11));
+  state.SetCustomRateParameter("EMIS.OLE", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.49e-11));
+  state.SetCustomRateParameter("EMIS.IOLE", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.49e-11));
+  state.SetCustomRateParameter("EMIS.TOL", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.53e-11));
+  state.SetCustomRateParameter("EMIS.XYL", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.4e-11));
+  state.SetCustomRateParameter("EMIS.ISOP", std::vector<double>(solver.parameters_.number_of_grid_cells_, 6.03e-12));
+  state.SetCustomRateParameter("PHOTO.NO2", std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.00477));
+  state.SetCustomRateParameter("PHOTO.O3->O1D", std::vector<double>(solver.parameters_.number_of_grid_cells_, 2.26e-06));
+  state.SetCustomRateParameter(
+      "PHOTO.O3->O3P", std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.00025299999999999997));
+  state.SetCustomRateParameter(
+      "PHOTO.NO3->NO2", std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.11699999999999999));
+  state.SetCustomRateParameter("PHOTO.NO3->NO", std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.0144));
+  state.SetCustomRateParameter("PHOTO.HONO", std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.000918));
+  state.SetCustomRateParameter("PHOTO.H2O2", std::vector<double>(solver.parameters_.number_of_grid_cells_, 2.59e-06));
+  state.SetCustomRateParameter("PHOTO.PNA", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.89e-06));
+  state.SetCustomRateParameter("PHOTO.HNO3", std::vector<double>(solver.parameters_.number_of_grid_cells_, 8.61e-08));
+  state.SetCustomRateParameter("PHOTO.NTR", std::vector<double>(solver.parameters_.number_of_grid_cells_, 4.77e-07));
+  state.SetCustomRateParameter("PHOTO.ROOH", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.81e-06));
+  state.SetCustomRateParameter("PHOTO.MEPX", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.81e-06));
   state.SetCustomRateParameter("PHOTO.FORM->HO2", std::vector<double>(solver.parameters_.number_of_grid_cells_, 7.93e-06));
-  state.SetCustomRateParameter("PHOTO.FORM->CO",  std::vector<double>(solver.parameters_.number_of_grid_cells_, 2.2e-05));
-  state.SetCustomRateParameter("PHOTO.ALD2",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 2.2e-06));
-  state.SetCustomRateParameter("PHOTO.PACD",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.81e-06));
-  state.SetCustomRateParameter("PHOTO.ALDX",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 2.2e-06));
-  state.SetCustomRateParameter("PHOTO.OPEN",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.0006450000000000001));
-  state.SetCustomRateParameter("PHOTO.MGLY",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 7.64e-05));
-  state.SetCustomRateParameter("PHOTO.ISPD",      std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.98e-09));
+  state.SetCustomRateParameter("PHOTO.FORM->CO", std::vector<double>(solver.parameters_.number_of_grid_cells_, 2.2e-05));
+  state.SetCustomRateParameter("PHOTO.ALD2", std::vector<double>(solver.parameters_.number_of_grid_cells_, 2.2e-06));
+  state.SetCustomRateParameter("PHOTO.PACD", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.81e-06));
+  state.SetCustomRateParameter("PHOTO.ALDX", std::vector<double>(solver.parameters_.number_of_grid_cells_, 2.2e-06));
+  state.SetCustomRateParameter(
+      "PHOTO.OPEN", std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.0006450000000000001));
+  state.SetCustomRateParameter("PHOTO.MGLY", std::vector<double>(solver.parameters_.number_of_grid_cells_, 7.64e-05));
+  state.SetCustomRateParameter("PHOTO.ISPD", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.98e-09));
 
   // choose a timestep and print the initial state
   double time_step = 500;  // s
@@ -116,24 +120,13 @@ int main(const int argc, const char* argv[])
 
   auto solver_parameters = RosenbrockSolverParameters::three_stage_rosenbrock_parameters(n_grid_cells);
 
-  RosenbrockSolver<
-    GroupVectorMatrix, 
-    GroupSparseVectorMatrix 
-  > solver{ chemical_system, reactions, solver_parameters };
+  RosenbrockSolver<GroupVectorMatrix, GroupSparseVectorMatrix> solver{ chemical_system, reactions, solver_parameters };
 
   auto jit{ micm::JitCompiler::create() };
 
   auto start = std::chrono::high_resolution_clock::now();
-  JitRosenbrockSolver<
-    GroupVectorMatrix, 
-    GroupSparseVectorMatrix, 
-    JitLinearSolver<n_grid_cells, GroupSparseVectorMatrix>
-    > jit_solver(
-      jit.get(), 
-      chemical_system, 
-      reactions, 
-      solver_parameters 
-    );
+  JitRosenbrockSolver<GroupVectorMatrix, GroupSparseVectorMatrix, JitLinearSolver<n_grid_cells, GroupSparseVectorMatrix>>
+      jit_solver(jit.get(), chemical_system, reactions, solver_parameters);
   auto end = std::chrono::high_resolution_clock::now();
   auto jit_compile_time = std::chrono::duration_cast<std::chrono::nanoseconds>(end - start);
 
@@ -163,10 +156,10 @@ int main(const int argc, const char* argv[])
   std::cout << "decompositions: " << result_stats.decompositions << std::endl;
   std::cout << "solves: " << result_stats.solves << std::endl;
   std::cout << "singular: " << result_stats.singular << std::endl;
-  std::cout << "total_forcing_time: " <<       result_stats.total_forcing_time.count() << " nanoseconds" << std::endl;
-  std::cout << "total_jacobian_time: " <<      result_stats.total_jacobian_time.count() << " nanoseconds" << std::endl;
+  std::cout << "total_forcing_time: " << result_stats.total_forcing_time.count() << " nanoseconds" << std::endl;
+  std::cout << "total_jacobian_time: " << result_stats.total_jacobian_time.count() << " nanoseconds" << std::endl;
   std::cout << "total_linear_factor_time: " << result_stats.total_linear_factor_time.count() << " nanoseconds" << std::endl;
-  std::cout << "total_linear_solve_time: " <<  result_stats.total_linear_solve_time.count() << " nanoseconds" << std::endl;
+  std::cout << "total_linear_solve_time: " << result_stats.total_linear_solve_time.count() << " nanoseconds" << std::endl;
 
   auto jit_result_stats = jit_result_pair.second;
   std::cout << "JIT result stats: " << std::endl;
@@ -179,17 +172,22 @@ int main(const int argc, const char* argv[])
   std::cout << "decompositions: " << jit_result_stats.decompositions << std::endl;
   std::cout << "solves: " << jit_result_stats.solves << std::endl;
   std::cout << "singular: " << jit_result_stats.singular << std::endl;
-  std::cout << "total_forcing_time: " <<       jit_result_stats.total_forcing_time.count() << " nanoseconds" << std::endl;
-  std::cout << "total_jacobian_time: " <<      jit_result_stats.total_jacobian_time.count() << " nanoseconds" << std::endl;
-  std::cout << "total_linear_factor_time: " << jit_result_stats.total_linear_factor_time.count() << " nanoseconds" << std::endl;
-  std::cout << "total_linear_solve_time: " <<  jit_result_stats.total_linear_solve_time.count() << " nanoseconds" << std::endl;
+  std::cout << "total_forcing_time: " << jit_result_stats.total_forcing_time.count() << " nanoseconds" << std::endl;
+  std::cout << "total_jacobian_time: " << jit_result_stats.total_jacobian_time.count() << " nanoseconds" << std::endl;
+  std::cout << "total_linear_factor_time: " << jit_result_stats.total_linear_factor_time.count() << " nanoseconds"
+            << std::endl;
+  std::cout << "total_linear_solve_time: " << jit_result_stats.total_linear_solve_time.count() << " nanoseconds"
+            << std::endl;
 
   auto result = result_pair.first;
   auto jit_result = result_pair.first;
 
-  for(auto& species : result.variable_names_) {
-    for(int i = 0; i < n_grid_cells; ++i) {
-      if (result.variables_[i][result.variable_map_[species]] != jit_result.variables_[i][jit_result.variable_map_[species]]) {
+  for (auto& species : result.variable_names_)
+  {
+    for (int i = 0; i < n_grid_cells; ++i)
+    {
+      if (result.variables_[i][result.variable_map_[species]] != jit_result.variables_[i][jit_result.variable_map_[species]])
+      {
         std::cout << species << " do not match final concentration" << std::endl;
       }
     }
diff --git a/test/unit/util/test_matrix_policy.hpp b/test/unit/util/test_matrix_policy.hpp
index fec7deb77..666e58a55 100644
--- a/test/unit/util/test_matrix_policy.hpp
+++ b/test/unit/util/test_matrix_policy.hpp
@@ -240,7 +240,8 @@ MatrixPolicy<double> testSetScalar()
 
   matrix = 2.0;
 
-  for(auto& elem : matrix.AsVector()) {
+  for (auto& elem : matrix.AsVector())
+  {
     EXPECT_EQ(elem, 2.0);
   }
 
diff --git a/test/unit/util/test_sparse_matrix_policy.hpp b/test/unit/util/test_sparse_matrix_policy.hpp
index 74b44a36e..f06eb7af2 100644
--- a/test/unit/util/test_sparse_matrix_policy.hpp
+++ b/test/unit/util/test_sparse_matrix_policy.hpp
@@ -466,7 +466,8 @@ micm::SparseMatrix<double, OrderingPolicy> testSetScalar()
 
   matrix = 2.0;
 
-  for(auto& elem : matrix.AsVector()) {
+  for (auto& elem : matrix.AsVector())
+  {
     EXPECT_EQ(elem, 2.0);
   }
 

From beb0c0c44602ae10829d8f5a3ba642f03b018aee Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Fri, 3 Nov 2023 10:17:20 -0700
Subject: [PATCH 219/318] start optimizing JITed code

---
 docker/Dockerfile                     |   2 +-
 docker/Dockerfile.intel               |   4 +-
 docker/Dockerfile.llvm                |   2 +-
 docker/Dockerfile.memcheck            |   2 +-
 docker/Dockerfile.no_json             |   2 +-
 include/micm/jit/jit_compiler.hpp     |   2 +-
 include/micm/solver/rosenbrock.hpp    |   2 +
 include/micm/solver/rosenbrock.inl    |  11 +--
 include/micm/util/matrix.hpp          |   4 +-
 include/micm/util/vector_matrix.hpp   |   4 +-
 test/tutorial/test_jit_tutorial.cpp   | 101 +++++++++++++-------------
 test/unit/util/test_matrix_policy.hpp |   4 +-
 12 files changed, 73 insertions(+), 67 deletions(-)

diff --git a/docker/Dockerfile b/docker/Dockerfile
index 89d7c89ea..8760be4dc 100644
--- a/docker/Dockerfile
+++ b/docker/Dockerfile
@@ -17,7 +17,7 @@ COPY . /micm/
 RUN mkdir /build \
       && cd /build \
       && cmake \
-        -D CMAKE_BUILD_TYPE=debug \
+        -D CMAKE_BUILD_TYPE=release \
         -D ENABLE_CLANG_TIDY:BOOL=FALSE \
         ../micm \
       && make install -j
diff --git a/docker/Dockerfile.intel b/docker/Dockerfile.intel
index ac0b0e331..180f7c493 100644
--- a/docker/Dockerfile.intel
+++ b/docker/Dockerfile.intel
@@ -27,8 +27,8 @@ COPY . /micm/
 RUN mkdir /build \
       && cd /build \ 
       && cmake \
-        -D CMAKE_BUILD_TYPE=debug \
-        -D CMAKE_CXX_FLAGS_DEBUG="-g -Rno-debug-disables-optimization" \
+        -D CMAKE_BUILD_TYPE=release \
+        # -D CMAKE_CXX_FLAGS_DEBUG="-g -Rno-debug-disables-optimization" \
         ../micm \
       && make -j 8 install
 
diff --git a/docker/Dockerfile.llvm b/docker/Dockerfile.llvm
index a23e6ab68..74d4e54f4 100644
--- a/docker/Dockerfile.llvm
+++ b/docker/Dockerfile.llvm
@@ -20,7 +20,7 @@ COPY . /micm/
 RUN mkdir /build \
       && cd /build \
       && cmake \
-        -D CMAKE_BUILD_TYPE=debug \
+        -D CMAKE_BUILD_TYPE=release \
         -D ENABLE_CLANG_TIDY:BOOL=FALSE \
         -D ENABLE_LLVM:BOOL=TRUE \
         -D ENABLE_MEMCHECK:BOOL=TRUE \
diff --git a/docker/Dockerfile.memcheck b/docker/Dockerfile.memcheck
index 4483611ae..3366ce906 100644
--- a/docker/Dockerfile.memcheck
+++ b/docker/Dockerfile.memcheck
@@ -16,7 +16,7 @@ COPY . /micm/
 RUN mkdir /build \
       && cd /build \
       && cmake \
-        -D CMAKE_BUILD_TYPE=Debug \
+        -D CMAKE_BUILD_TYPE=release \
         -D ENABLE_CLANG_TIDY:BOOL=FALSE \
         -D ENABLE_MEMCHECK:BOOL=TRUE \
         ../micm \
diff --git a/docker/Dockerfile.no_json b/docker/Dockerfile.no_json
index 38be2055f..af36a152e 100644
--- a/docker/Dockerfile.no_json
+++ b/docker/Dockerfile.no_json
@@ -16,7 +16,7 @@ COPY . /micm/
 RUN mkdir /build \
       && cd /build \
       && cmake \
-        -D CMAKE_BUILD_TYPE=debug \
+        -D CMAKE_BUILD_TYPE=release \
         -D ENABLE_CLANG_TIDY:BOOL=FALSE \
         -D ENABLE_JSON:BOOL=FALSE \
         ../micm \
diff --git a/include/micm/jit/jit_compiler.hpp b/include/micm/jit/jit_compiler.hpp
index 794d5f4b9..56daf9929 100644
--- a/include/micm/jit/jit_compiler.hpp
+++ b/include/micm/jit/jit_compiler.hpp
@@ -135,7 +135,7 @@ namespace micm
             // Create a function pass manager.
             auto pass_manager = std::make_unique<llvm::legacy::FunctionPassManager>(&module);
 
-            llvm::VectorizerParams::VectorizationFactor = 2;
+            llvm::VectorizerParams::VectorizationFactor = 4;
 
             // Add some optimizations.
             // many from
diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index a945a0774..5fa83e440 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -78,6 +78,8 @@ namespace micm
     /// @brief The number of times a singular matrix is detected. For now, this will always be zero as we assume the matrix
     /// is never singular
     uint64_t singular{};
+    /// @brief The cumulative amount of time spent updating the state (including rate constant calculations)
+    std::chrono::duration<double, std::nano> total_update_state_time{};
     /// @brief The cumulative amount of time spent calculating the forcing function
     std::chrono::duration<double, std::nano> total_forcing_time{};
     /// @brief The cumulative amount of time spent calculating the jacobian
diff --git a/include/micm/solver/rosenbrock.inl b/include/micm/solver/rosenbrock.inl
index fc4390e3a..d028c6022 100644
--- a/include/micm/solver/rosenbrock.inl
+++ b/include/micm/solver/rosenbrock.inl
@@ -31,6 +31,7 @@ namespace micm
     decompositions = 0;
     solves = 0;
     singular = 0;
+    total_update_state_time = std::chrono::nanoseconds::zero();
     total_forcing_time = std::chrono::nanoseconds::zero();
     total_jacobian_time = std::chrono::nanoseconds::zero();
     total_linear_factor_time = std::chrono::nanoseconds::zero();
@@ -177,7 +178,7 @@ namespace micm
         parameters_.h_start_ == 0.0 ? std::max(parameters_.h_min_, delta_min_) : std::min(h_max, parameters_.h_start_);
 
     SolverStats stats;
-    UpdateState(state);
+    TIMED_METHOD(stats.total_update_state_time, time_it, UpdateState, state);
 
     for (std::size_t i = 0; i < parameters_.stages_; ++i)
       K.push_back(MatrixPolicy<double>(Y.size(), Y[0].size(), 0.0));
@@ -248,7 +249,7 @@ namespace micm
               for (uint64_t j = 0; j < stage; ++j)
               {
                 auto a = parameters_.a_[stage_combinations + j];
-                Ynew.ForEach([&](double& iYnew, double& iKj) { iYnew += a * iKj; }, K[j]);
+                Ynew.ForEach([&](double& iYnew, const double& iKj) { iYnew += a * iKj; }, K[j]);
               }
               TIMED_METHOD(stats.total_forcing_time, time_it, CalculateForcing, state.rate_constants_, Ynew, forcing);
               stats.function_calls += 1;
@@ -258,7 +259,7 @@ namespace micm
           for (uint64_t j = 0; j < stage; ++j)
           {
             auto HC = parameters_.c_[stage_combinations + j] / H;
-            K[stage].ForEach([&](double& iKstage, double& iKj) { iKstage += HC * iKj; }, K[j]);
+            K[stage].ForEach([&](double& iKstage, const double& iKj) { iKstage += HC * iKj; }, K[j]);
           }
           temp.AsVector().assign(K[stage].AsVector().begin(), K[stage].AsVector().end());
           TIMED_METHOD(stats.total_linear_solve_time, time_it, linear_solver_.template Solve<MatrixPolicy>, temp, K[stage], state.lower_matrix_, state.upper_matrix_);
@@ -268,12 +269,12 @@ namespace micm
         // Compute the new solution
         Ynew.AsVector().assign(Y.AsVector().begin(), Y.AsVector().end());
         for (uint64_t stage = 0; stage < parameters_.stages_; ++stage)
-          Ynew.ForEach([&](double& iYnew, double& iKstage) { iYnew += parameters_.m_[stage] * iKstage; }, K[stage]);
+          Ynew.ForEach([&](double& iYnew, const double& iKstage) { iYnew += parameters_.m_[stage] * iKstage; }, K[stage]);
 
         // Compute the error estimation
         MatrixPolicy<double> Yerror(Y.size(), Y[0].size(), 0);
         for (uint64_t stage = 0; stage < parameters_.stages_; ++stage)
-          Yerror.ForEach([&](double& iYerror, double& iKstage) { iYerror += parameters_.e_[stage] * iKstage; }, K[stage]);
+          Yerror.ForEach([&](double& iYerror, const double& iKstage) { iYerror += parameters_.e_[stage] * iKstage; }, K[stage]);
 
         auto error = NormalizedError(Y, Ynew, Yerror);
 
diff --git a/include/micm/util/matrix.hpp b/include/micm/util/matrix.hpp
index 7aa5c9300..1d2f4afc1 100644
--- a/include/micm/util/matrix.hpp
+++ b/include/micm/util/matrix.hpp
@@ -195,14 +195,14 @@ namespace micm
       return *this;
     }
 
-    void ForEach(const std::function<void(T &, T &)> f, Matrix &a)
+    void ForEach(const std::function<void(T &, const T &)> f, const Matrix &a)
     {
       auto a_iter = a.AsVector().begin();
       for (auto &elem : data_)
         f(elem, *(a_iter++));
     }
 
-    void ForEach(const std::function<void(T &, T &, T &)> f, Matrix &a, Matrix &b)
+    void ForEach(const std::function<void(T &, const T &, const T &)> f, const Matrix &a, const Matrix &b)
     {
       auto a_iter = a.AsVector().begin();
       auto b_iter = b.AsVector().begin();
diff --git a/include/micm/util/vector_matrix.hpp b/include/micm/util/vector_matrix.hpp
index abb411dcb..e1f99d661 100644
--- a/include/micm/util/vector_matrix.hpp
+++ b/include/micm/util/vector_matrix.hpp
@@ -215,7 +215,7 @@ namespace micm
       return *this;
     }
 
-    void ForEach(const std::function<void(T &, T &)> f, VectorMatrix &a)
+    void ForEach(const std::function<void(T &, const T &)> f, const VectorMatrix &a)
     {
       auto this_iter = data_.begin();
       auto a_iter = a.AsVector().begin();
@@ -228,7 +228,7 @@ namespace micm
           f(this_iter[y * L + x], a_iter[y * L + x]);
     }
 
-    void ForEach(const std::function<void(T &, T &, T &)> f, VectorMatrix &a, VectorMatrix &b)
+    void ForEach(const std::function<void(T &, const T &, const T &)> f, const VectorMatrix &a, const VectorMatrix &b)
     {
       auto this_iter = data_.begin();
       auto a_iter = a.AsVector().begin();
diff --git a/test/tutorial/test_jit_tutorial.cpp b/test/tutorial/test_jit_tutorial.cpp
index 468bc6862..47781137a 100644
--- a/test/tutorial/test_jit_tutorial.cpp
+++ b/test/tutorial/test_jit_tutorial.cpp
@@ -68,6 +68,8 @@ auto run_solver(auto& solver)
   // choose a timestep and print the initial state
   double time_step = 500;  // s
 
+  auto total_solve_time = std::chrono::nanoseconds::zero();
+
   // solve for ten iterations
   for (int i = 0; i < 10; ++i)
   {
@@ -75,7 +77,10 @@ auto run_solver(auto& solver)
 
     while (elapsed_solve_time < time_step)
     {
+      auto start = std::chrono::high_resolution_clock::now();
       auto result = solver.template Solve<true>(time_step - elapsed_solve_time, state);
+      auto end = std::chrono::high_resolution_clock::now();
+      total_solve_time += std::chrono::duration_cast<std::chrono::nanoseconds>(end - start);
       elapsed_solve_time = result.final_time_;
       state.variables_ = result.result_;
 
@@ -87,6 +92,7 @@ auto run_solver(auto& solver)
       total_stats.decompositions += result.stats_.decompositions;
       total_stats.solves += result.stats_.solves;
       total_stats.singular += result.stats_.singular;
+      total_stats.total_update_state_time += result.stats_.total_update_state_time;
       total_stats.total_forcing_time += result.stats_.total_forcing_time;
       total_stats.total_jacobian_time += result.stats_.total_jacobian_time;
       total_stats.total_linear_factor_time += result.stats_.total_linear_factor_time;
@@ -94,7 +100,7 @@ auto run_solver(auto& solver)
     }
   }
 
-  return std::make_pair(state, total_stats);
+  return std::make_tuple(state, total_stats, total_solve_time);
 }
 
 int main(const int argc, const char* argv[])
@@ -131,63 +137,60 @@ int main(const int argc, const char* argv[])
 
   std::cout << "Jit compile time: " << jit_compile_time.count() << " nanoseconds" << std::endl;
 
-  start = std::chrono::high_resolution_clock::now();
-  auto result_pair = run_solver(solver);
-  end = std::chrono::high_resolution_clock::now();
-  auto result_time = std::chrono::duration_cast<std::chrono::nanoseconds>(end - start);
-
-  start = std::chrono::high_resolution_clock::now();
-  auto jit_result_pair = run_solver(jit_solver);
-  end = std::chrono::high_resolution_clock::now();
-  auto jit_time = std::chrono::duration_cast<std::chrono::nanoseconds>(end - start);
-
-  std::cout << "Result time: " << result_time.count() << " nanoseconds" << std::endl;
-  std::cout << "JIT result time: " << jit_time.count() << " nanoseconds" << std::endl;
-
-  auto result_stats = result_pair.second;
-  std::cout << "Result stats: " << std::endl;
-  std::cout << "accepted: " << result_stats.accepted << std::endl;
-  std::cout << "function_calls: " << result_stats.function_calls << std::endl;
-  std::cout << "jacobian_updates: " << result_stats.jacobian_updates << std::endl;
-  std::cout << "number_of_steps: " << result_stats.number_of_steps << std::endl;
-  std::cout << "accepted: " << result_stats.accepted << std::endl;
-  std::cout << "rejected: " << result_stats.rejected << std::endl;
-  std::cout << "decompositions: " << result_stats.decompositions << std::endl;
-  std::cout << "solves: " << result_stats.solves << std::endl;
-  std::cout << "singular: " << result_stats.singular << std::endl;
-  std::cout << "total_forcing_time: " << result_stats.total_forcing_time.count() << " nanoseconds" << std::endl;
-  std::cout << "total_jacobian_time: " << result_stats.total_jacobian_time.count() << " nanoseconds" << std::endl;
-  std::cout << "total_linear_factor_time: " << result_stats.total_linear_factor_time.count() << " nanoseconds" << std::endl;
-  std::cout << "total_linear_solve_time: " << result_stats.total_linear_solve_time.count() << " nanoseconds" << std::endl;
-
-  auto jit_result_stats = jit_result_pair.second;
-  std::cout << "JIT result stats: " << std::endl;
-  std::cout << "accepted: " << jit_result_stats.accepted << std::endl;
-  std::cout << "function_calls: " << jit_result_stats.function_calls << std::endl;
-  std::cout << "jacobian_updates: " << jit_result_stats.jacobian_updates << std::endl;
-  std::cout << "number_of_steps: " << jit_result_stats.number_of_steps << std::endl;
-  std::cout << "accepted: " << jit_result_stats.accepted << std::endl;
-  std::cout << "rejected: " << jit_result_stats.rejected << std::endl;
-  std::cout << "decompositions: " << jit_result_stats.decompositions << std::endl;
-  std::cout << "solves: " << jit_result_stats.solves << std::endl;
-  std::cout << "singular: " << jit_result_stats.singular << std::endl;
-  std::cout << "total_forcing_time: " << jit_result_stats.total_forcing_time.count() << " nanoseconds" << std::endl;
-  std::cout << "total_jacobian_time: " << jit_result_stats.total_jacobian_time.count() << " nanoseconds" << std::endl;
-  std::cout << "total_linear_factor_time: " << jit_result_stats.total_linear_factor_time.count() << " nanoseconds"
+  auto result_tuple = run_solver(solver);
+  auto jit_result_tuple = run_solver(jit_solver);
+
+  std::cout << "Standard solve time: " << std::get<2>(result_tuple).count() << " nanoseconds" << std::endl;
+  std::cout << "JIT solve time: " << std::get<2>(jit_result_tuple).count() << " nanoseconds" << std::endl;
+
+  auto result_stats = std::get<1>(result_tuple);
+  std::cout << "Standard solve stats: " << std::endl;
+  std::cout << "\taccepted: " << result_stats.accepted << std::endl;
+  std::cout << "\tfunction_calls: " << result_stats.function_calls << std::endl;
+  std::cout << "\tjacobian_updates: " << result_stats.jacobian_updates << std::endl;
+  std::cout << "\tnumber_of_steps: " << result_stats.number_of_steps << std::endl;
+  std::cout << "\taccepted: " << result_stats.accepted << std::endl;
+  std::cout << "\trejected: " << result_stats.rejected << std::endl;
+  std::cout << "\tdecompositions: " << result_stats.decompositions << std::endl;
+  std::cout << "\tsolves: " << result_stats.solves << std::endl;
+  std::cout << "\tsingular: " << result_stats.singular << std::endl;
+  std::cout << "\ttotal_update_state_time: " << result_stats.total_update_state_time.count() << " nanoseconds" << std::endl;
+  std::cout << "\ttotal_forcing_time: " << result_stats.total_forcing_time.count() << " nanoseconds" << std::endl;
+  std::cout << "\ttotal_jacobian_time: " << result_stats.total_jacobian_time.count() << " nanoseconds" << std::endl;
+  std::cout << "\ttotal_linear_factor_time: " << result_stats.total_linear_factor_time.count() << " nanoseconds" << std::endl;
+  std::cout << "\ttotal_linear_solve_time: " << result_stats.total_linear_solve_time.count() << " nanoseconds" << std::endl << std::endl;
+
+  auto jit_result_stats = std::get<1>(jit_result_tuple);
+  std::cout << "JIT solve stats: " << std::endl;
+  std::cout << "\taccepted: " << jit_result_stats.accepted << std::endl;
+  std::cout << "\tfunction_calls: " << jit_result_stats.function_calls << std::endl;
+  std::cout << "\tjacobian_updates: " << jit_result_stats.jacobian_updates << std::endl;
+  std::cout << "\tnumber_of_steps: " << jit_result_stats.number_of_steps << std::endl;
+  std::cout << "\taccepted: " << jit_result_stats.accepted << std::endl;
+  std::cout << "\trejected: " << jit_result_stats.rejected << std::endl;
+  std::cout << "\tdecompositions: " << jit_result_stats.decompositions << std::endl;
+  std::cout << "\tsolves: " << jit_result_stats.solves << std::endl;
+  std::cout << "\tsingular: " << jit_result_stats.singular << std::endl;
+  std::cout << "\ttotal_update_state_time: " << jit_result_stats.total_update_state_time.count() << " nanoseconds" << std::endl;
+  std::cout << "\ttotal_forcing_time: " << jit_result_stats.total_forcing_time.count() << " nanoseconds" << std::endl;
+  std::cout << "\ttotal_jacobian_time: " << jit_result_stats.total_jacobian_time.count() << " nanoseconds" << std::endl;
+  std::cout << "\ttotal_linear_factor_time: " << jit_result_stats.total_linear_factor_time.count() << " nanoseconds"
             << std::endl;
-  std::cout << "total_linear_solve_time: " << jit_result_stats.total_linear_solve_time.count() << " nanoseconds"
+  std::cout << "\ttotal_linear_solve_time: " << jit_result_stats.total_linear_solve_time.count() << " nanoseconds"
             << std::endl;
 
-  auto result = result_pair.first;
-  auto jit_result = result_pair.first;
+  auto result = std::get<0>(result_tuple);
+  auto jit_result = std::get<0>(jit_result_tuple);
 
   for (auto& species : result.variable_names_)
   {
     for (int i = 0; i < n_grid_cells; ++i)
     {
-      if (result.variables_[i][result.variable_map_[species]] != jit_result.variables_[i][jit_result.variable_map_[species]])
+      double a = result.variables_[i][result.variable_map_[species]];
+      double b = jit_result.variables_[i][jit_result.variable_map_[species]];
+      if ( std::abs(a - b) > 1.0e-5 * (std::abs(a) + std::abs(b)) / 2.0 + 1.0e-30 )
       {
-        std::cout << species << " do not match final concentration" << std::endl;
+        std::cout << species << " does not match final concentration" << std::endl;
       }
     }
   }
diff --git a/test/unit/util/test_matrix_policy.hpp b/test/unit/util/test_matrix_policy.hpp
index 666e58a55..36e7def9b 100644
--- a/test/unit/util/test_matrix_policy.hpp
+++ b/test/unit/util/test_matrix_policy.hpp
@@ -224,10 +224,10 @@ MatrixPolicy<double> testForEach()
       sum2 += i * 10.3 + j * 100.5 + i * 1.7 + j * 10.2 - i * 19.5 - j * 32.2;
     }
 
-  matrix.ForEach([&](double a, double b) { result += a + b; }, other);
+  matrix.ForEach([&](double &a, const double &b) { result += a + b; }, other);
   EXPECT_NEAR(sum, result, 1.0e-5);
   result = 0.0;
-  matrix.ForEach([&](double a, double b, double c) { result += a + b - c; }, other, other2);
+  matrix.ForEach([&](double &a, const double &b, const double &c) { result += a + b - c; }, other, other2);
   EXPECT_NEAR(sum2, result, 1.0e-5);
 
   return matrix;

From af9c9163aa7a9a5200b6f0ab074fe6159a6f6cdc Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Sun, 5 Nov 2023 08:45:02 -0800
Subject: [PATCH 220/318] simplify jit tutorial chemical system

---
 test/tutorial/test_jit_tutorial.cpp | 82 ++++++++++++-----------------
 1 file changed, 33 insertions(+), 49 deletions(-)

diff --git a/test/tutorial/test_jit_tutorial.cpp b/test/tutorial/test_jit_tutorial.cpp
index 47781137a..e18482cb4 100644
--- a/test/tutorial/test_jit_tutorial.cpp
+++ b/test/tutorial/test_jit_tutorial.cpp
@@ -29,41 +29,9 @@ auto run_solver(auto& solver)
     state.conditions_[i].pressure_ = 101319.9;   // Pa
     state.conditions_[i].air_density_ = 1e6;     // mol m-3
   }
-
-  state.SetCustomRateParameter("EMIS.NO", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.44e-10));
-  state.SetCustomRateParameter("EMIS.NO2", std::vector<double>(solver.parameters_.number_of_grid_cells_, 7.56e-12));
-  state.SetCustomRateParameter("EMIS.CO", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.96e-09));
-  state.SetCustomRateParameter("EMIS.SO2", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.06e-09));
-  state.SetCustomRateParameter("EMIS.FORM", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.02e-11));
-  state.SetCustomRateParameter("EMIS.MEOH", std::vector<double>(solver.parameters_.number_of_grid_cells_, 5.92e-13));
-  state.SetCustomRateParameter("EMIS.ALD2", std::vector<double>(solver.parameters_.number_of_grid_cells_, 4.25e-12));
-  state.SetCustomRateParameter("EMIS.PAR", std::vector<double>(solver.parameters_.number_of_grid_cells_, 4.27e-10));
-  state.SetCustomRateParameter("EMIS.ETH", std::vector<double>(solver.parameters_.number_of_grid_cells_, 4.62e-11));
-  state.SetCustomRateParameter("EMIS.OLE", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.49e-11));
-  state.SetCustomRateParameter("EMIS.IOLE", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.49e-11));
-  state.SetCustomRateParameter("EMIS.TOL", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.53e-11));
-  state.SetCustomRateParameter("EMIS.XYL", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.4e-11));
-  state.SetCustomRateParameter("EMIS.ISOP", std::vector<double>(solver.parameters_.number_of_grid_cells_, 6.03e-12));
-  state.SetCustomRateParameter("PHOTO.NO2", std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.00477));
-  state.SetCustomRateParameter("PHOTO.O3->O1D", std::vector<double>(solver.parameters_.number_of_grid_cells_, 2.26e-06));
-  state.SetCustomRateParameter("PHOTO.O3->O3P", std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.000253));
-  state.SetCustomRateParameter("PHOTO.NO3->NO2", std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.117));
-  state.SetCustomRateParameter("PHOTO.NO3->NO", std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.0144));
-  state.SetCustomRateParameter("PHOTO.HONO", std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.000918));
-  state.SetCustomRateParameter("PHOTO.H2O2", std::vector<double>(solver.parameters_.number_of_grid_cells_, 2.59e-06));
-  state.SetCustomRateParameter("PHOTO.PNA", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.89e-06));
-  state.SetCustomRateParameter("PHOTO.HNO3", std::vector<double>(solver.parameters_.number_of_grid_cells_, 8.61e-08));
-  state.SetCustomRateParameter("PHOTO.NTR", std::vector<double>(solver.parameters_.number_of_grid_cells_, 4.77e-07));
-  state.SetCustomRateParameter("PHOTO.ROOH", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.81e-06));
-  state.SetCustomRateParameter("PHOTO.MEPX", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.81e-06));
-  state.SetCustomRateParameter("PHOTO.FORM->HO2", std::vector<double>(solver.parameters_.number_of_grid_cells_, 7.93e-06));
-  state.SetCustomRateParameter("PHOTO.FORM->CO", std::vector<double>(solver.parameters_.number_of_grid_cells_, 2.2e-05));
-  state.SetCustomRateParameter("PHOTO.ALD2", std::vector<double>(solver.parameters_.number_of_grid_cells_, 2.2e-06));
-  state.SetCustomRateParameter("PHOTO.PACD", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.81e-06));
-  state.SetCustomRateParameter("PHOTO.ALDX", std::vector<double>(solver.parameters_.number_of_grid_cells_, 2.2e-06));
-  state.SetCustomRateParameter("PHOTO.OPEN", std::vector<double>(solver.parameters_.number_of_grid_cells_, 0.000645));
-  state.SetCustomRateParameter("PHOTO.MGLY", std::vector<double>(solver.parameters_.number_of_grid_cells_, 7.64e-05));
-  state.SetCustomRateParameter("PHOTO.ISPD", std::vector<double>(solver.parameters_.number_of_grid_cells_, 1.98e-09));
+  auto foo = Species("Foo");
+  std::vector<double> foo_conc(n_grid_cells, 1.0);
+  state.SetConcentration(foo, foo_conc);
 
   // choose a timestep and print the initial state
   double time_step = 500;  // s
@@ -105,19 +73,27 @@ auto run_solver(auto& solver)
 
 int main(const int argc, const char* argv[])
 {
-  SolverConfig solverConfig;
+  auto foo = Species{ "Foo" };
+  auto bar = Species{ "Bar" };
+  auto baz = Species{ "Baz" };
 
-  std::string config_path = "./configs/carbon_bond_5";
-  ConfigParseStatus status = solverConfig.ReadAndParse(config_path);
-  if (status != micm::ConfigParseStatus::Success)
-  {
-    throw "Parsing failed";
-  }
+  Phase gas_phase{ std::vector<Species>{ foo, bar, baz } };
+
+  System chemical_system{ SystemParameters{ .gas_phase_ = gas_phase } };
+
+  Process r1 = Process::create()
+                   .reactants({ foo })
+                   .products({ Yield(bar, 0.8), Yield(baz, 0.2) })
+                   .rate_constant(ArrheniusRateConstant({ .A_ = 1.0e-3 }))
+                   .phase(gas_phase);
 
-  micm::SolverParameters solver_params = solverConfig.GetSolverParams();
+  Process r2 = Process::create()
+                   .reactants({ foo, bar })
+                   .products({ Yield(baz, 1) })
+                   .rate_constant(ArrheniusRateConstant({ .A_ = 1.0e-5, .C_ = 110.0 }))
+                   .phase(gas_phase);
 
-  auto chemical_system = solver_params.system_;
-  auto reactions = solver_params.processes_;
+  std::vector<Process> reactions{ r1, r2 };
 
   auto solver_parameters = RosenbrockSolverParameters::three_stage_rosenbrock_parameters(n_grid_cells);
 
@@ -140,6 +116,11 @@ int main(const int argc, const char* argv[])
   auto result_tuple = run_solver(solver);
   auto jit_result_tuple = run_solver(jit_solver);
 
+  // Rerun for more fair comparison after assumed improvements to
+  // branch-prediction during state update
+  result_tuple = run_solver(solver);
+  jit_result_tuple = run_solver(jit_solver);
+
   std::cout << "Standard solve time: " << std::get<2>(result_tuple).count() << " nanoseconds" << std::endl;
   std::cout << "JIT solve time: " << std::get<2>(jit_result_tuple).count() << " nanoseconds" << std::endl;
 
@@ -157,8 +138,10 @@ int main(const int argc, const char* argv[])
   std::cout << "\ttotal_update_state_time: " << result_stats.total_update_state_time.count() << " nanoseconds" << std::endl;
   std::cout << "\ttotal_forcing_time: " << result_stats.total_forcing_time.count() << " nanoseconds" << std::endl;
   std::cout << "\ttotal_jacobian_time: " << result_stats.total_jacobian_time.count() << " nanoseconds" << std::endl;
-  std::cout << "\ttotal_linear_factor_time: " << result_stats.total_linear_factor_time.count() << " nanoseconds" << std::endl;
-  std::cout << "\ttotal_linear_solve_time: " << result_stats.total_linear_solve_time.count() << " nanoseconds" << std::endl << std::endl;
+  std::cout << "\ttotal_linear_factor_time: " << result_stats.total_linear_factor_time.count() << " nanoseconds"
+            << std::endl;
+  std::cout << "\ttotal_linear_solve_time: " << result_stats.total_linear_solve_time.count() << " nanoseconds" << std::endl
+            << std::endl;
 
   auto jit_result_stats = std::get<1>(jit_result_tuple);
   std::cout << "JIT solve stats: " << std::endl;
@@ -171,7 +154,8 @@ int main(const int argc, const char* argv[])
   std::cout << "\tdecompositions: " << jit_result_stats.decompositions << std::endl;
   std::cout << "\tsolves: " << jit_result_stats.solves << std::endl;
   std::cout << "\tsingular: " << jit_result_stats.singular << std::endl;
-  std::cout << "\ttotal_update_state_time: " << jit_result_stats.total_update_state_time.count() << " nanoseconds" << std::endl;
+  std::cout << "\ttotal_update_state_time: " << jit_result_stats.total_update_state_time.count() << " nanoseconds"
+            << std::endl;
   std::cout << "\ttotal_forcing_time: " << jit_result_stats.total_forcing_time.count() << " nanoseconds" << std::endl;
   std::cout << "\ttotal_jacobian_time: " << jit_result_stats.total_jacobian_time.count() << " nanoseconds" << std::endl;
   std::cout << "\ttotal_linear_factor_time: " << jit_result_stats.total_linear_factor_time.count() << " nanoseconds"
@@ -188,7 +172,7 @@ int main(const int argc, const char* argv[])
     {
       double a = result.variables_[i][result.variable_map_[species]];
       double b = jit_result.variables_[i][jit_result.variable_map_[species]];
-      if ( std::abs(a - b) > 1.0e-5 * (std::abs(a) + std::abs(b)) / 2.0 + 1.0e-30 )
+      if (std::abs(a - b) > 1.0e-5 * (std::abs(a) + std::abs(b)) / 2.0 + 1.0e-30)
       {
         std::cout << species << " does not match final concentration" << std::endl;
       }

From 37e51571dd024e0577bfb4076f4b6666affaeb71 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Sun, 5 Nov 2023 09:49:12 -0800
Subject: [PATCH 221/318] add ability to handle JIT functions with the same
 name

---
 include/micm/jit/jit_compiler.hpp   |  7 ++++
 include/micm/jit/jit_function.hpp   |  2 +-
 test/unit/jit/test_jit_function.cpp | 60 +++++++++++++++++++++++++++++
 3 files changed, 68 insertions(+), 1 deletion(-)

diff --git a/include/micm/jit/jit_compiler.hpp b/include/micm/jit/jit_compiler.hpp
index 56daf9929..61eb7054f 100644
--- a/include/micm/jit/jit_compiler.hpp
+++ b/include/micm/jit/jit_compiler.hpp
@@ -52,6 +52,8 @@ namespace micm
 
     llvm::orc::JITDylib &main_lib_;
 
+    unsigned int name_uniquer_{0};
+
    public:
     JitCompiler(
         std::unique_ptr<llvm::orc::ExecutionSession> execution_session,
@@ -124,6 +126,11 @@ namespace micm
       return execution_session_->lookup({ &main_lib_ }, mangle_(name.str()));
     }
 
+    std::string UniquifyName(const std::string &base_name)
+    {
+      return base_name + std::to_string(name_uniquer_++);
+    }
+
    private:
     static llvm::Expected<llvm::orc::ThreadSafeModule> OptimizeModule(
         llvm::orc::ThreadSafeModule threadsafe_module,
diff --git a/include/micm/jit/jit_function.hpp b/include/micm/jit/jit_function.hpp
index d8178d180..ef643117a 100644
--- a/include/micm/jit/jit_function.hpp
+++ b/include/micm/jit/jit_function.hpp
@@ -157,7 +157,7 @@ namespace micm
 
   JitFunction::JitFunction(JitFunctionBuilder& function_builder)
       : generated_(false),
-        name_(function_builder.name_),
+        name_(function_builder.compiler_->UniquifyName(function_builder.name_)),
         compiler_(function_builder.compiler_),
         context_(std::make_unique<llvm::LLVMContext>()),
         module_(std::make_unique<llvm::Module>(name_ + " module", *context_)),
diff --git a/test/unit/jit/test_jit_function.cpp b/test/unit/jit/test_jit_function.cpp
index 186062696..ac2d9c2bb 100644
--- a/test/unit/jit/test_jit_function.cpp
+++ b/test/unit/jit/test_jit_function.cpp
@@ -379,4 +379,64 @@ TEST(JitFunction, LocalArray)
   EXPECT_EQ(20, func_ptr(4));
   EXPECT_EQ(5, func_ptr(1));
   func.exit_on_error_(foo_target.first->remove());
+}
+
+// This test creates several functions with the same name that
+// add a unique number to the function argument and return the sum
+TEST(JitFunction, SameNameFunctions)
+{
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error] ");
+    EXPECT_TRUE(false);
+  }
+  micm::JitFunction func1 = micm::JitFunction::create(jit.get())
+                               .name("foobar")
+                               .arguments({ { "foo", micm::JitType::Int32 } })
+                               .return_type(micm::JitType::Int32);
+  llvm::Value *const_val = llvm::ConstantInt::get(*(func1.context_), llvm::APInt(64, 2));
+  llvm::Value *ret_val = func1.builder_->CreateNSWAdd(func1.arguments_[0].ptr_, const_val, "add args");
+  func1.builder_->CreateRet(ret_val);
+
+  auto func1_target = func1.Generate();
+  int32_t (*func1_ptr)(int32_t) = (int32_t(*)(int32_t))(intptr_t)func1_target.second;
+
+  micm::JitFunction func2 = micm::JitFunction::create(jit.get())
+                               .name("foobar")
+                               .arguments({ { "foo", micm::JitType::Int32 } })
+                               .return_type(micm::JitType::Int32);
+  const_val = llvm::ConstantInt::get(*(func2.context_), llvm::APInt(64, 12));
+  ret_val = func2.builder_->CreateNSWAdd(func2.arguments_[0].ptr_, const_val, "add args");
+  func2.builder_->CreateRet(ret_val);
+
+  auto func2_target = func2.Generate();
+  int32_t (*func2_ptr)(int32_t) = (int32_t(*)(int32_t))(intptr_t)func2_target.second;
+
+  micm::JitFunction func3 = micm::JitFunction::create(jit.get())
+                               .name("foobar")
+                               .arguments({ { "foo", micm::JitType::Int32 } })
+                               .return_type(micm::JitType::Int32);
+  const_val = llvm::ConstantInt::get(*(func3.context_), llvm::APInt(64, 24));
+  ret_val = func3.builder_->CreateNSWAdd(func3.arguments_[0].ptr_, const_val, "add args");
+  func3.builder_->CreateRet(ret_val);
+
+  auto func3_target = func3.Generate();
+  int32_t (*func3_ptr)(int32_t) = (int32_t(*)(int32_t))(intptr_t)func3_target.second;
+
+  EXPECT_EQ(10, func1_ptr(8));
+  EXPECT_EQ(-6, func1_ptr(-8));
+  EXPECT_EQ(82, func1_ptr(80));
+
+  EXPECT_EQ(20, func2_ptr(8));
+  EXPECT_EQ(4, func2_ptr(-8));
+  EXPECT_EQ(92, func2_ptr(80));
+
+  EXPECT_EQ(32, func3_ptr(8));
+  EXPECT_EQ(16, func3_ptr(-8));
+  EXPECT_EQ(104, func3_ptr(80));
+
+  func1.exit_on_error_(func1_target.first->remove());
+  func2.exit_on_error_(func2_target.first->remove());
+  func3.exit_on_error_(func3_target.first->remove());
 }
\ No newline at end of file

From 95701167c42ed94f42ea0abf09b906789d5f9722 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Sun, 5 Nov 2023 10:30:33 -0800
Subject: [PATCH 222/318] use random string generator for function names

---
 include/micm/jit/jit_compiler.hpp      | 7 -------
 include/micm/jit/jit_function.hpp      | 4 +++-
 include/micm/solver/jit_rosenbrock.hpp | 4 +---
 3 files changed, 4 insertions(+), 11 deletions(-)

diff --git a/include/micm/jit/jit_compiler.hpp b/include/micm/jit/jit_compiler.hpp
index 61eb7054f..56daf9929 100644
--- a/include/micm/jit/jit_compiler.hpp
+++ b/include/micm/jit/jit_compiler.hpp
@@ -52,8 +52,6 @@ namespace micm
 
     llvm::orc::JITDylib &main_lib_;
 
-    unsigned int name_uniquer_{0};
-
    public:
     JitCompiler(
         std::unique_ptr<llvm::orc::ExecutionSession> execution_session,
@@ -126,11 +124,6 @@ namespace micm
       return execution_session_->lookup({ &main_lib_ }, mangle_(name.str()));
     }
 
-    std::string UniquifyName(const std::string &base_name)
-    {
-      return base_name + std::to_string(name_uniquer_++);
-    }
-
    private:
     static llvm::Expected<llvm::orc::ThreadSafeModule> OptimizeModule(
         llvm::orc::ThreadSafeModule threadsafe_module,
diff --git a/include/micm/jit/jit_function.hpp b/include/micm/jit/jit_function.hpp
index ef643117a..0cdf8a377 100644
--- a/include/micm/jit/jit_function.hpp
+++ b/include/micm/jit/jit_function.hpp
@@ -9,6 +9,8 @@
 #include <iostream>
 #include <memory>
 
+#include <micm/util/random_string.hpp>
+
 #include "jit_compiler.hpp"
 #include "llvm/IR/Attributes.h"
 #include "llvm/IR/BasicBlock.h"
@@ -157,7 +159,7 @@ namespace micm
 
   JitFunction::JitFunction(JitFunctionBuilder& function_builder)
       : generated_(false),
-        name_(function_builder.compiler_->UniquifyName(function_builder.name_)),
+        name_(function_builder.name_ + generate_random_string()),
         compiler_(function_builder.compiler_),
         context_(std::make_unique<llvm::LLVMContext>()),
         module_(std::make_unique<llvm::Module>(name_ + " module", *context_)),
diff --git a/include/micm/solver/jit_rosenbrock.hpp b/include/micm/solver/jit_rosenbrock.hpp
index a8a307f05..a651d144a 100644
--- a/include/micm/solver/jit_rosenbrock.hpp
+++ b/include/micm/solver/jit_rosenbrock.hpp
@@ -126,11 +126,9 @@ namespace micm
       std::size_t n_cells = jacobian.GroupVectorSize();
       std::size_t number_of_nonzero_jacobian_elements = jacobian.AsVector().size();
 
-      std::string function_name = "alpha_minus_jacobian_" + generate_random_string();
-
       // Create the JitFunction with the modified name
       JitFunction func = JitFunction::create(compiler_)
-                             .name(function_name)
+                             .name("alpha_minus_jacobian")
                              .arguments({ { "jacobian", JitType::DoublePtr }, { "alpha", JitType::Double } })
                              .return_type(JitType::Void);
 

From f3d9b96bdcf8bc05bc4a9955f24d1029be0acdc8 Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Mon, 6 Nov 2023 07:51:19 -0800
Subject: [PATCH 223/318] Auto-format code changes (#342)

Auto-format code using Clang-Format

Co-authored-by: GitHub Actions <actions@github.com>
---
 include/micm/jit/jit_compiler.hpp             |  1 -
 include/micm/jit/jit_function.hpp             |  1 -
 include/micm/solver/jit_rosenbrock.hpp        |  3 +-
 include/micm/solver/rosenbrock.hpp            |  3 +-
 include/micm/util/random_string.hpp           |  2 +-
 .../regression/RosenbrockChapman/jit_util.hpp | 70 +++++++++++++-----
 test/unit/jit/test_jit_function.cpp           | 18 ++---
 test/unit/solver/test_jit_rosenbrock.cpp      | 74 +++++++++----------
 test/unit/util/test_matrix_policy.hpp         |  6 +-
 9 files changed, 100 insertions(+), 78 deletions(-)

diff --git a/include/micm/jit/jit_compiler.hpp b/include/micm/jit/jit_compiler.hpp
index 56daf9929..5c2180879 100644
--- a/include/micm/jit/jit_compiler.hpp
+++ b/include/micm/jit/jit_compiler.hpp
@@ -29,7 +29,6 @@
 #include "llvm/Support/TargetSelect.h"
 #include "llvm/Transforms/IPO.h"
 #include "llvm/Transforms/InstCombine/InstCombine.h"
-#include "llvm/Transforms/IPO.h"
 #include "llvm/Transforms/Scalar.h"
 #include "llvm/Transforms/Scalar/GVN.h"
 #include "llvm/Transforms/Utils.h"
diff --git a/include/micm/jit/jit_function.hpp b/include/micm/jit/jit_function.hpp
index 0cdf8a377..1a71a965e 100644
--- a/include/micm/jit/jit_function.hpp
+++ b/include/micm/jit/jit_function.hpp
@@ -8,7 +8,6 @@
 #include <cassert>
 #include <iostream>
 #include <memory>
-
 #include <micm/util/random_string.hpp>
 
 #include "jit_compiler.hpp"
diff --git a/include/micm/solver/jit_rosenbrock.hpp b/include/micm/solver/jit_rosenbrock.hpp
index a651d144a..633fca4d8 100644
--- a/include/micm/solver/jit_rosenbrock.hpp
+++ b/include/micm/solver/jit_rosenbrock.hpp
@@ -78,7 +78,8 @@ namespace micm
               [&](const SparseMatrixPolicy<double>& matrix, double initial_value) -> LinearSolverPolicy {
                 return LinearSolverPolicy{ compiler, matrix, initial_value };
               },
-              [&](const std::vector<Process>& processes, const std::map<std::string, std::size_t>& variable_map) -> ProcessSetPolicy {
+              [&](const std::vector<Process>& processes,
+                  const std::map<std::string, std::size_t>& variable_map) -> ProcessSetPolicy {
                 return ProcessSetPolicy{ compiler, processes, variable_map };
               }),
           compiler_(compiler)
diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index 5fa83e440..9322180aa 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -148,7 +148,8 @@ namespace micm
         const std::vector<Process>& processes,
         const RosenbrockSolverParameters& parameters,
         const std::function<LinearSolverPolicy(const SparseMatrixPolicy<double>, double)> create_linear_solver,
-        const std::function<ProcessSetPolicy(const std::vector<Process>&, const std::map<std::string, std::size_t>&)> create_process_set);
+        const std::function<ProcessSetPolicy(const std::vector<Process>&, const std::map<std::string, std::size_t>&)>
+            create_process_set);
 
     virtual ~RosenbrockSolver() = default;
 
diff --git a/include/micm/util/random_string.hpp b/include/micm/util/random_string.hpp
index c48e7a1aa..b3f011107 100644
--- a/include/micm/util/random_string.hpp
+++ b/include/micm/util/random_string.hpp
@@ -3,9 +3,9 @@
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
 
-#include <string>
 #include <chrono>
 #include <random>
+#include <string>
 
 namespace micm
 {
diff --git a/test/regression/RosenbrockChapman/jit_util.hpp b/test/regression/RosenbrockChapman/jit_util.hpp
index b1ed1770f..c1da846d5 100644
--- a/test/regression/RosenbrockChapman/jit_util.hpp
+++ b/test/regression/RosenbrockChapman/jit_util.hpp
@@ -2,9 +2,15 @@
 
 #include "util.hpp"
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
-micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, ProcessSetPolicy> getTwoStageMultiCellJitChapmanSolver(
-    const size_t number_of_grid_cells)
+template<
+    template<class>
+    class MatrixPolicy,
+    template<class>
+    class SparseMatrixPolicy,
+    class LinearSolverPolicy,
+    class ProcessSetPolicy>
+micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>
+getTwoStageMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
 {
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
@@ -15,16 +21,22 @@ micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, P
     llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
     EXPECT_TRUE(false);
   }
-  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, ProcessSetPolicy>(
+  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>(
       jit.get(),
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
       micm::RosenbrockSolverParameters::two_stage_rosenbrock_parameters(number_of_grid_cells));
 }
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
-micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, ProcessSetPolicy> getThreeStageMultiCellJitChapmanSolver(
-    const size_t number_of_grid_cells)
+template<
+    template<class>
+    class MatrixPolicy,
+    template<class>
+    class SparseMatrixPolicy,
+    class LinearSolverPolicy,
+    class ProcessSetPolicy>
+micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>
+getThreeStageMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
 {
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
@@ -35,16 +47,22 @@ micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, P
     llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
     EXPECT_TRUE(false);
   }
-  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, ProcessSetPolicy>(
+  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>(
       jit.get(),
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
       micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells));
 }
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
-micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, ProcessSetPolicy> getFourStageMultiCellJitChapmanSolver(
-    const size_t number_of_grid_cells)
+template<
+    template<class>
+    class MatrixPolicy,
+    template<class>
+    class SparseMatrixPolicy,
+    class LinearSolverPolicy,
+    class ProcessSetPolicy>
+micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>
+getFourStageMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
 {
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
@@ -55,16 +73,22 @@ micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, P
     llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
     EXPECT_TRUE(false);
   }
-  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, ProcessSetPolicy>(
+  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>(
       jit.get(),
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
       micm::RosenbrockSolverParameters::four_stage_rosenbrock_parameters(number_of_grid_cells));
 }
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
-micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, ProcessSetPolicy> getFourStageDAMultiCellJitChapmanSolver(
-    const size_t number_of_grid_cells)
+template<
+    template<class>
+    class MatrixPolicy,
+    template<class>
+    class SparseMatrixPolicy,
+    class LinearSolverPolicy,
+    class ProcessSetPolicy>
+micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>
+getFourStageDAMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
 {
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
@@ -75,16 +99,22 @@ micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, P
     llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
     EXPECT_TRUE(false);
   }
-  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, ProcessSetPolicy>(
+  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>(
       jit.get(),
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
       micm::RosenbrockSolverParameters::four_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells));
 }
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class ProcessSetPolicy>
-micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, ProcessSetPolicy> getSixStageDAMultiCellJitChapmanSolver(
-    const size_t number_of_grid_cells)
+template<
+    template<class>
+    class MatrixPolicy,
+    template<class>
+    class SparseMatrixPolicy,
+    class LinearSolverPolicy,
+    class ProcessSetPolicy>
+micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>
+getSixStageDAMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
 {
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
@@ -95,7 +125,7 @@ micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, P
     llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
     EXPECT_TRUE(false);
   }
-  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy,LinearSolverPolicy, ProcessSetPolicy>(
+  return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>(
       jit.get(),
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
diff --git a/test/unit/jit/test_jit_function.cpp b/test/unit/jit/test_jit_function.cpp
index ac2d9c2bb..26b0bec7f 100644
--- a/test/unit/jit/test_jit_function.cpp
+++ b/test/unit/jit/test_jit_function.cpp
@@ -392,9 +392,9 @@ TEST(JitFunction, SameNameFunctions)
     EXPECT_TRUE(false);
   }
   micm::JitFunction func1 = micm::JitFunction::create(jit.get())
-                               .name("foobar")
-                               .arguments({ { "foo", micm::JitType::Int32 } })
-                               .return_type(micm::JitType::Int32);
+                                .name("foobar")
+                                .arguments({ { "foo", micm::JitType::Int32 } })
+                                .return_type(micm::JitType::Int32);
   llvm::Value *const_val = llvm::ConstantInt::get(*(func1.context_), llvm::APInt(64, 2));
   llvm::Value *ret_val = func1.builder_->CreateNSWAdd(func1.arguments_[0].ptr_, const_val, "add args");
   func1.builder_->CreateRet(ret_val);
@@ -403,9 +403,9 @@ TEST(JitFunction, SameNameFunctions)
   int32_t (*func1_ptr)(int32_t) = (int32_t(*)(int32_t))(intptr_t)func1_target.second;
 
   micm::JitFunction func2 = micm::JitFunction::create(jit.get())
-                               .name("foobar")
-                               .arguments({ { "foo", micm::JitType::Int32 } })
-                               .return_type(micm::JitType::Int32);
+                                .name("foobar")
+                                .arguments({ { "foo", micm::JitType::Int32 } })
+                                .return_type(micm::JitType::Int32);
   const_val = llvm::ConstantInt::get(*(func2.context_), llvm::APInt(64, 12));
   ret_val = func2.builder_->CreateNSWAdd(func2.arguments_[0].ptr_, const_val, "add args");
   func2.builder_->CreateRet(ret_val);
@@ -414,9 +414,9 @@ TEST(JitFunction, SameNameFunctions)
   int32_t (*func2_ptr)(int32_t) = (int32_t(*)(int32_t))(intptr_t)func2_target.second;
 
   micm::JitFunction func3 = micm::JitFunction::create(jit.get())
-                               .name("foobar")
-                               .arguments({ { "foo", micm::JitType::Int32 } })
-                               .return_type(micm::JitType::Int32);
+                                .name("foobar")
+                                .arguments({ { "foo", micm::JitType::Int32 } })
+                                .return_type(micm::JitType::Int32);
   const_val = llvm::ConstantInt::get(*(func3.context_), llvm::APInt(64, 24));
   ret_val = func3.builder_->CreateNSWAdd(func3.arguments_[0].ptr_, const_val, "add args");
   func3.builder_->CreateRet(ret_val);
diff --git a/test/unit/solver/test_jit_rosenbrock.cpp b/test/unit/solver/test_jit_rosenbrock.cpp
index b69a0c3b2..3d27db0e4 100644
--- a/test/unit/solver/test_jit_rosenbrock.cpp
+++ b/test/unit/solver/test_jit_rosenbrock.cpp
@@ -11,7 +11,11 @@
 #include <micm/util/vector_matrix.hpp>
 
 template<std::size_t number_of_grid_cells, template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
-micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, micm::JitLinearSolver<number_of_grid_cells, SparseMatrixPolicy>, micm::JitProcessSet<number_of_grid_cells>>
+micm::JitRosenbrockSolver<
+    MatrixPolicy,
+    SparseMatrixPolicy,
+    micm::JitLinearSolver<number_of_grid_cells, SparseMatrixPolicy>,
+    micm::JitProcessSet<number_of_grid_cells>>
 getSolver(std::shared_ptr<micm::JitCompiler> jit)
 {
   // ---- foo  bar  baz  quz  quuz
@@ -44,12 +48,15 @@ getSolver(std::shared_ptr<micm::JitCompiler> jit)
   micm::Process r3 = micm::Process::create().reactants({ quz }).products({}).phase(gas_phase).rate_constant(
       micm::ArrheniusRateConstant({ .A_ = 3.5e-6 }));
 
-  return micm::
-      JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, micm::JitLinearSolver<number_of_grid_cells, SparseMatrixPolicy>, micm::JitProcessSet<number_of_grid_cells>>(
-          jit,
-          micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-          std::vector<micm::Process>{ r1, r2, r3 },
-          micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells, false));
+  return micm::JitRosenbrockSolver<
+      MatrixPolicy,
+      SparseMatrixPolicy,
+      micm::JitLinearSolver<number_of_grid_cells, SparseMatrixPolicy>,
+      micm::JitProcessSet<number_of_grid_cells>>(
+      jit,
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+      std::vector<micm::Process>{ r1, r2, r3 },
+      micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells, false));
 }
 
 template<class T>
@@ -180,40 +187,25 @@ TEST(JitRosenbrockSolver, MultipleInstances)
   auto solver_parameters = micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters();
 
   micm::JitRosenbrockSolver<
-    Group1VectorMatrix, 
-    Group1SparseVectorMatrix, 
-    micm::JitLinearSolver<1, Group1SparseVectorMatrix>,
-    micm::JitProcessSet<1>
-    > solver1(
-      jit.get(), 
-      chemical_system, 
-      reactions, 
-      solver_parameters 
-    );
+      Group1VectorMatrix,
+      Group1SparseVectorMatrix,
+      micm::JitLinearSolver<1, Group1SparseVectorMatrix>,
+      micm::JitProcessSet<1>>
+      solver1(jit.get(), chemical_system, reactions, solver_parameters);
   micm::JitRosenbrockSolver<
-    Group1VectorMatrix, 
-    Group1SparseVectorMatrix, 
-    micm::JitLinearSolver<1, Group1SparseVectorMatrix>,
-    micm::JitProcessSet<1>
-    > solver2(
-      jit.get(), 
-      chemical_system, 
-      reactions, 
-      solver_parameters 
-    );
+      Group1VectorMatrix,
+      Group1SparseVectorMatrix,
+      micm::JitLinearSolver<1, Group1SparseVectorMatrix>,
+      micm::JitProcessSet<1>>
+      solver2(jit.get(), chemical_system, reactions, solver_parameters);
   micm::JitRosenbrockSolver<
-    Group1VectorMatrix, 
-    Group1SparseVectorMatrix, 
-    micm::JitLinearSolver<1, Group1SparseVectorMatrix>,
-    micm::JitProcessSet<1>
-    > solver3(
-      jit.get(), 
-      chemical_system, 
-      reactions, 
-      solver_parameters 
-    );
-
-    run_solver(solver1);
-    run_solver(solver2);
-    run_solver(solver3);
+      Group1VectorMatrix,
+      Group1SparseVectorMatrix,
+      micm::JitLinearSolver<1, Group1SparseVectorMatrix>,
+      micm::JitProcessSet<1>>
+      solver3(jit.get(), chemical_system, reactions, solver_parameters);
+
+  run_solver(solver1);
+  run_solver(solver2);
+  run_solver(solver3);
 }
diff --git a/test/unit/util/test_matrix_policy.hpp b/test/unit/util/test_matrix_policy.hpp
index 36e7def9b..ba7b20dc6 100644
--- a/test/unit/util/test_matrix_policy.hpp
+++ b/test/unit/util/test_matrix_policy.hpp
@@ -14,7 +14,7 @@ MatrixPolicy<double> testSmallMatrix()
   EXPECT_EQ(matrix[0][0], 41.2);
   EXPECT_EQ(matrix[2][4], 102.3);
 
-  std::vector<double>& data = matrix.AsVector();
+  std::vector<double> &data = matrix.AsVector();
 
   EXPECT_GE(data.size(), 3);
 
@@ -36,7 +36,7 @@ const MatrixPolicy<double> testSmallConstMatrix()
   EXPECT_EQ(const_matrix[0][0], 41.2);
   EXPECT_EQ(const_matrix[2][4], 102.3);
 
-  const std::vector<double>& data = const_matrix.AsVector();
+  const std::vector<double> &data = const_matrix.AsVector();
 
   EXPECT_GE(data.size(), 3);
 
@@ -240,7 +240,7 @@ MatrixPolicy<double> testSetScalar()
 
   matrix = 2.0;
 
-  for (auto& elem : matrix.AsVector())
+  for (auto &elem : matrix.AsVector())
   {
     EXPECT_EQ(elem, 2.0);
   }

From 074a29e0e6cb7275c2bea8577de5760af44c8dde Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Mon, 6 Nov 2023 08:54:21 -0800
Subject: [PATCH 224/318] Update README.md

Update README example for new version of MICM
---
 README.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/README.md b/README.md
index 7cd4a6db1..4836956df 100644
--- a/README.md
+++ b/README.md
@@ -158,7 +158,7 @@ int main(const int argc, const char *argv[])
 
 To build and run the example using GNU (assuming the default install location):
 ```
-g++ -o foo_chem foo_chem.cpp -I/usr/local/micm-3.1.0/include -std=c++20
+g++ -o foo_chem foo_chem.cpp -I/usr/local/micm-3.2.0/include -std=c++20
 ./foo_chem
 ```
 

From 1effd61d78c80358c1ae0a0af5eaca6401950b71 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Mon, 6 Nov 2023 09:47:44 -0800
Subject: [PATCH 225/318] add build instructions to JIT tutorial

---
 docs/source/user_guide/jit.rst      | 18 +++++++++---------
 test/tutorial/test_jit_tutorial.cpp |  1 -
 2 files changed, 9 insertions(+), 10 deletions(-)

diff --git a/docs/source/user_guide/jit.rst b/docs/source/user_guide/jit.rst
index f91a28753..b5bf8fed5 100644
--- a/docs/source/user_guide/jit.rst
+++ b/docs/source/user_guide/jit.rst
@@ -41,19 +41,19 @@ the appropriate tab below and be on your way! Otherwise, stick around for a line
 
 .. tab-set::
 
-    .. tab-item:: OpenAtmos Configuration reading
-
-        .. raw:: html
-
-            <div class="download-div">
-              <a href="../_static/tutorials/carbon_bond_5.zip" download>
-                <button class="download-button">Download zip configuration</button>
-              </a>
-            </div>
+    .. tab-item:: JIT-compiled Rosenbrock Solver
 
         .. literalinclude:: ../../../test/tutorial/test_jit_tutorial.cpp
           :language: cpp
 
+To build and run the example using GNU (assuming the default install location), copy and
+paste the example code into a file named ``foo_jit_chem.cpp`` and run:
+
+.. code:: bash
+
+  g++ -o foo_jit_chem foo_jit_chem.cpp -I/usr/local/micm-3.2.0/include -std=c++20 `llvm-config --cxxflags --ldflags --system-libs --libs support core orcjit native irreader` -std=c++20 -fexceptions
+  ./foo_jit_chem
+
 Line-by-line explanation
 ------------------------
 
diff --git a/test/tutorial/test_jit_tutorial.cpp b/test/tutorial/test_jit_tutorial.cpp
index e18482cb4..6bfe32032 100644
--- a/test/tutorial/test_jit_tutorial.cpp
+++ b/test/tutorial/test_jit_tutorial.cpp
@@ -1,6 +1,5 @@
 #include <chrono>
 #include <iostream>
-#include <micm/configure/solver_config.hpp>
 #include <micm/jit/jit_compiler.hpp>
 #include <micm/solver/jit_rosenbrock.hpp>
 #include <micm/solver/rosenbrock.hpp>

From 5def946e343fb4ebae8d62d948bac08e418b2f3b Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Mon, 6 Nov 2023 09:51:31 -0800
Subject: [PATCH 226/318] update build instructions to JIT tutorial

---
 .devcontainer/devcontainer.json | 2 +-
 docs/source/user_guide/jit.rst  | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/.devcontainer/devcontainer.json b/.devcontainer/devcontainer.json
index eccf8125f..6f3312dcb 100644
--- a/.devcontainer/devcontainer.json
+++ b/.devcontainer/devcontainer.json
@@ -6,5 +6,5 @@
   ],
   "settings": {
   },
-  "postCreateCommand": "cd /workspaces/micm && mkdir build && cd build && cmake -D CMAKE_BUILD_TYPE=debug -D ENABLE_CLANG_TIDY:BOOL=FALSE -D ENABLE_LLVM:BOOL=TRUE -D ENABLE_MEMCHECK:BOOL=TRUE .. && make install -j 2"
+  "postCreateCommand": "cd /workspaces/micm && mkdir build && cd build && cmake -D CMAKE_BUILD_TYPE=release -D ENABLE_CLANG_TIDY:BOOL=FALSE -D ENABLE_LLVM:BOOL=TRUE -D ENABLE_MEMCHECK:BOOL=TRUE .. && make install -j 2"
 }
diff --git a/docs/source/user_guide/jit.rst b/docs/source/user_guide/jit.rst
index b5bf8fed5..d9abc1678 100644
--- a/docs/source/user_guide/jit.rst
+++ b/docs/source/user_guide/jit.rst
@@ -51,7 +51,7 @@ paste the example code into a file named ``foo_jit_chem.cpp`` and run:
 
 .. code:: bash
 
-  g++ -o foo_jit_chem foo_jit_chem.cpp -I/usr/local/micm-3.2.0/include -std=c++20 `llvm-config --cxxflags --ldflags --system-libs --libs support core orcjit native irreader` -std=c++20 -fexceptions
+  g++ -o foo_jit_chem foo_jit_chem.cpp -I/usr/local/micm-3.2.0/include `llvm-config --cxxflags --ldflags --system-libs --libs support core orcjit native irreader` -std=c++20 -fexceptions
   ./foo_jit_chem
 
 Line-by-line explanation

From 173467800a77a741c2bc8ad31d961a06a2cbf02f Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Mon, 6 Nov 2023 17:00:04 -0700
Subject: [PATCH 227/318] adding jit process set in openmp example (#344)

---
 test/unit/openmp/test_openmp_jit_solver.cpp | 8 ++++++--
 1 file changed, 6 insertions(+), 2 deletions(-)

diff --git a/test/unit/openmp/test_openmp_jit_solver.cpp b/test/unit/openmp/test_openmp_jit_solver.cpp
index 0044cea35..c9cd1219f 100644
--- a/test/unit/openmp/test_openmp_jit_solver.cpp
+++ b/test/unit/openmp/test_openmp_jit_solver.cpp
@@ -36,8 +36,12 @@ TEST(OpenMP, JITOneSolverManyStates)
   std::vector<std::vector<double>> results(n_threads);
 
   auto jit{ micm::JitCompiler::create() };
-  JitRosenbrockSolver<Group1VectorMatrix, Group1SparseVectorMatrix, JitLinearSolver<1, Group1SparseVectorMatrix>> solver(
-      jit.get(), chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters());
+  JitRosenbrockSolver<
+      Group1VectorMatrix,
+      Group1SparseVectorMatrix,
+      JitLinearSolver<1, Group1SparseVectorMatrix>,
+      micm::JitProcessSet<1>>
+      solver(jit.get(), chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters());
 
 #pragma omp parallel num_threads(n_threads)
   {

From 2557bed849d5336abaf3a9da363c4db063135999 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Tue, 7 Nov 2023 07:06:50 -0800
Subject: [PATCH 228/318] update line numbers in JIT tutorial

---
 docs/source/user_guide/jit.rst | 31 +++++++++++++++----------------
 1 file changed, 15 insertions(+), 16 deletions(-)

diff --git a/docs/source/user_guide/jit.rst b/docs/source/user_guide/jit.rst
index d9abc1678..a0a380685 100644
--- a/docs/source/user_guide/jit.rst
+++ b/docs/source/user_guide/jit.rst
@@ -9,12 +9,12 @@ acheive a numerically stable solution, and cache misses, among others.
 
 This tutorial focuses on alleviating the cache misses. A popular method for handling cache misses is to pre-compute the indices. 
 This method, which may be referred to as ahead-of-time (AOT) compilation, is used in applications such as KPP :cite:`Damian2002`.
-Pre-computed methods require code preprocessors and preclude runtime configurable software, which is a goal of micm.
+Pre-computed methods require code preprocessors and preclude runtime configurable software, which is a goal of MICM.
 
 MICM uses just-in-time (JIT) compiled functions built with `LLVM JIT <https://llvm.org/docs/tutorial/BuildingAJIT1.html>`_ libraries
 to supply runtime-configurable chemistry to avoid cache misses in important chemistry functions.
 
-Up until now, a :cpp:class:`micm::RosenbrockSolver` has been used. This is a special class in micm which builds all
+Up until now, a :cpp:class:`micm::RosenbrockSolver` has been used. This is a special class in MICM which builds all
 of the componenets needed to solve chemistry in memory, including the forcing function and the jacobian. MICM
 also provides a :cpp:class:`micm::JitRosenbrockSolver` which builds and compiles several important chemistry functions at runtime.
 
@@ -32,8 +32,9 @@ So what does this gain me?
 --------------------------
 
 Runtime configuraiton of chemical mechanisms that are *fast*. Let's compare the speed of :cpp:class:`micm::RosenbrockSolver` 
-and the :cpp:class:`micm::JitRosenbrockSolver` classes applied to the same problem. This time we'll use the carbon-bond 5
-mechanism :cite:`Yarwood2005`, which is an update to the carbon bond mechanism from :cite:`Gery1989`.
+and the :cpp:class:`micm::JitRosenbrockSolver` classes applied to the same problem. We will use the simple
+fictitous chemical system from previous examples for simplicity, but feel free to try out more complex
+mechanisms to see the effects of JIT compiling on compute time in more realistic cases.
 
 If you're looking for a copy and paste, choose
 the appropriate tab below and be on your way! Otherwise, stick around for a line by line explanation.
@@ -57,12 +58,11 @@ paste the example code into a file named ``foo_jit_chem.cpp`` and run:
 Line-by-line explanation
 ------------------------
 
-Starting with the header files, we need headers for timing, outpu, reading the configuration,
-and of course for both types of solvers.
+Starting with the header files, we need headers for timing, output, and of course for both types of solvers.
 
 .. literalinclude:: ../../../test/tutorial/test_jit_tutorial.cpp
   :language: cpp
-  :lines: 1-7
+  :lines: 1-5
 
 Next, we use our namespace, define our number of gridcells (1 for now), and some
 partial template specializations. We are using our custom vectorized matrix, which
@@ -71,24 +71,23 @@ grid cells to be solved simultaneously.
 
 .. literalinclude:: ../../../test/tutorial/test_jit_tutorial.cpp
   :language: cpp
-  :lines: 14-18
+  :lines: 7-16
 
 Now, all at once, is the function which runs either type of solver. We set all species
-concentrations to 1 :math:`\mathrm{mol\ m^-3}` and set the rate paramters for all of the
-photolysis and emissions reactions. Additionally, we are collecting all of the solver
-stats across all solving timesteps
+concentrations to 1 :math:`\mathrm{mol\ m^-3}`.
+Additionally, we are collecting all of the solver stats across all solving timesteps
 
 .. literalinclude:: ../../../test/tutorial/test_jit_tutorial.cpp
   :language: cpp
-  :lines: 20-96
+  :lines: 18-71
 
 Finally, the main function which reads the configuration and initializes the jit solver.
 
 .. literalinclude:: ../../../test/tutorial/test_jit_tutorial.cpp
   :language: cpp
-  :lines: 101-117
+  :lines: 73-113
 
-The only additionall step here is to make an instance of the :cpp:class:`micm::JitCompiler`
+The only additional step here is to make an instance of the :cpp:class:`micm::JitCompiler`
 and pass it as a shared pointer to the :cpp:class:`micm::JitRosenbrockSolver`. We also are
 using our vectorized matrix for both solvers. The :cpp:class:`micm::JitRosenbrockSolver` only works
 with the vectorized matrix whereas the :cpp:class:`micm::RosenbrockSolver` works with a regular matrix.
@@ -97,14 +96,14 @@ time here.
 
 .. literalinclude:: ../../../test/tutorial/test_jit_tutorial.cpp
   :language: cpp
-  :lines: 119-140
+  :lines: 103-113
 
 Finally, we run both solvers, output their cumulative stats, and compare their results.
 
 
 .. literalinclude:: ../../../test/tutorial/test_jit_tutorial.cpp
   :language: cpp
-  :lines: 142-198
+  :lines: 115-181
 
 
 The output will be similar to this:

From 9a4d75616ed25198cb30a669660d5805eee93b6b Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 7 Nov 2023 17:16:12 -0700
Subject: [PATCH 229/318] Develop 272 ts1 (#340)

* add initial ts1 example and test

* add remaining unmapped reactions from TS1

* remove examples tests when JSON support is not available

---------

Co-authored-by: Matt Dawson <mattdawson@ucar.edu>
---
 .dockerignore                                 |    1 +
 examples/TS1/config.json                      |    6 +
 examples/TS1/reactions.json                   | 7130 +++++++++++++++++
 examples/TS1/species.json                     | 1281 +++
 include/micm/configure/solver_config.hpp      |   54 +-
 include/micm/process/process_set.hpp          |    4 +
 test/CMakeLists.txt                           |    3 +
 test/examples/CMakeLists.txt                  |   10 +
 test/examples/test_TS1.cpp                    |  216 +
 test/unit/configure/process/CMakeLists.txt    |    2 +-
 .../process/test_user_defined_config.cpp      |   83 +
 .../contains_nonstandard_key/config.json      |    1 +
 .../contains_nonstandard_key/reactions.json   |   17 +
 .../contains_nonstandard_key/species.json     |   20 +
 .../contains_nonstandard_key/tolerance.json   |    8 +
 .../missing_MUSICA_name/config.json           |    1 +
 .../missing_MUSICA_name/reactions.json        |   21 +
 .../missing_MUSICA_name/species.json          |   16 +
 .../missing_MUSICA_name/tolerance.json        |    8 +
 .../user_defined/missing_products/config.json |    1 +
 .../missing_products/reactions.json           |   18 +
 .../missing_products/species.json             |   16 +
 .../missing_products/tolerance.json           |    8 +
 .../missing_reactants/config.json             |    1 +
 .../missing_reactants/reactions.json          |   18 +
 .../missing_reactants/species.json            |   16 +
 .../missing_reactants/tolerance.json          |    8 +
 .../nonstandard_product_coef/config.json      |    1 +
 .../nonstandard_product_coef/reactions.json   |   21 +
 .../nonstandard_product_coef/species.json     |   20 +
 .../nonstandard_product_coef/tolerance.json   |    8 +
 .../nonstandard_reactant_coef/config.json     |    1 +
 .../nonstandard_reactant_coef/reactions.json  |   21 +
 .../nonstandard_reactant_coef/species.json    |   20 +
 .../nonstandard_reactant_coef/tolerance.json  |    8 +
 .../process/user_defined/valid/config.json    |    1 +
 .../process/user_defined/valid/reactions.json |   33 +
 .../process/user_defined/valid/species.json   |   20 +
 .../process/user_defined/valid/tolerance.json |    8 +
 39 files changed, 9127 insertions(+), 3 deletions(-)
 create mode 100644 examples/TS1/config.json
 create mode 100644 examples/TS1/reactions.json
 create mode 100644 examples/TS1/species.json
 create mode 100644 test/examples/CMakeLists.txt
 create mode 100644 test/examples/test_TS1.cpp
 create mode 100644 test/unit/configure/process/test_user_defined_config.cpp
 create mode 100644 test/unit/unit_configs/process/user_defined/contains_nonstandard_key/config.json
 create mode 100644 test/unit/unit_configs/process/user_defined/contains_nonstandard_key/reactions.json
 create mode 100644 test/unit/unit_configs/process/user_defined/contains_nonstandard_key/species.json
 create mode 100644 test/unit/unit_configs/process/user_defined/contains_nonstandard_key/tolerance.json
 create mode 100644 test/unit/unit_configs/process/user_defined/missing_MUSICA_name/config.json
 create mode 100644 test/unit/unit_configs/process/user_defined/missing_MUSICA_name/reactions.json
 create mode 100644 test/unit/unit_configs/process/user_defined/missing_MUSICA_name/species.json
 create mode 100644 test/unit/unit_configs/process/user_defined/missing_MUSICA_name/tolerance.json
 create mode 100644 test/unit/unit_configs/process/user_defined/missing_products/config.json
 create mode 100644 test/unit/unit_configs/process/user_defined/missing_products/reactions.json
 create mode 100644 test/unit/unit_configs/process/user_defined/missing_products/species.json
 create mode 100644 test/unit/unit_configs/process/user_defined/missing_products/tolerance.json
 create mode 100644 test/unit/unit_configs/process/user_defined/missing_reactants/config.json
 create mode 100644 test/unit/unit_configs/process/user_defined/missing_reactants/reactions.json
 create mode 100644 test/unit/unit_configs/process/user_defined/missing_reactants/species.json
 create mode 100644 test/unit/unit_configs/process/user_defined/missing_reactants/tolerance.json
 create mode 100644 test/unit/unit_configs/process/user_defined/nonstandard_product_coef/config.json
 create mode 100644 test/unit/unit_configs/process/user_defined/nonstandard_product_coef/reactions.json
 create mode 100644 test/unit/unit_configs/process/user_defined/nonstandard_product_coef/species.json
 create mode 100644 test/unit/unit_configs/process/user_defined/nonstandard_product_coef/tolerance.json
 create mode 100644 test/unit/unit_configs/process/user_defined/nonstandard_reactant_coef/config.json
 create mode 100644 test/unit/unit_configs/process/user_defined/nonstandard_reactant_coef/reactions.json
 create mode 100644 test/unit/unit_configs/process/user_defined/nonstandard_reactant_coef/species.json
 create mode 100644 test/unit/unit_configs/process/user_defined/nonstandard_reactant_coef/tolerance.json
 create mode 100644 test/unit/unit_configs/process/user_defined/valid/config.json
 create mode 100644 test/unit/unit_configs/process/user_defined/valid/reactions.json
 create mode 100644 test/unit/unit_configs/process/user_defined/valid/species.json
 create mode 100644 test/unit/unit_configs/process/user_defined/valid/tolerance.json

diff --git a/.dockerignore b/.dockerignore
index 496c56379..810bb6789 100644
--- a/.dockerignore
+++ b/.dockerignore
@@ -8,6 +8,7 @@
 !libs/
 !test/
 !etc/
+!examples/
 !cmake/
 !packaging
 !include/
diff --git a/examples/TS1/config.json b/examples/TS1/config.json
new file mode 100644
index 000000000..04d0ef289
--- /dev/null
+++ b/examples/TS1/config.json
@@ -0,0 +1,6 @@
+{
+  "camp-files": [
+    "species.json",
+    "reactions.json"
+  ]
+}
diff --git a/examples/TS1/reactions.json b/examples/TS1/reactions.json
new file mode 100644
index 000000000..fb2bc1c43
--- /dev/null
+++ b/examples/TS1/reactions.json
@@ -0,0 +1,7130 @@
+{
+  "__comments": [ "This mechanism may contain refactored reactions based on custom",
+                "rate constant functions in mo_usrrxt.F90 in the CAM source code.",
+                "As this file could change at any time, it is important that you",
+                "do an md5 checksum of mo_usrrxt.F90 from the version of CAM you",
+                "are using. The value should be: 9783938d6c5977f1c3603cadfe254987" ],
+  "camp-data": [
+    {
+      "name": "MZ327_TS1.2_20230307",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "TROE",
+          "k0_A": 5.5e-30,
+          "kinf_A": 8.3e-13,
+          "N": -2,
+          "reactants": {
+            "C2H2": { },
+            "OH": { }
+          },
+          "products": {
+            "GLYOXAL": { "yield": 0.65 },
+            "OH": { "yield": 0.65 },
+            "HCOOH": { "yield": 0.35 },
+            "HO2": { "yield": 0.35 },
+            "CO": { "yield": 0.35 }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 2.0e-12,
+          "Ea": -6.90325e-21,
+          "reactants": {
+            "CH3O2": { },
+            "TERPO2": { }
+          },
+          "products": {
+            "TERPROD1": { },
+            "CH2O": { "yield": 0.95 },
+            "CH3OH": { "yield": 0.25 },
+            "HO2": { },
+            "CH3COCH3": { "yield": 0.025 }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 3.8e-12,
+          "Ea": -2.7613e-21,
+          "reactants": {
+            "C3H7OOH": { },
+            "OH": { }
+          },
+          "products": {
+            "H2O": { },
+            "C3H7O2": { }
+          }
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "MUSICA name": "jterpnit->,jch3ooh",
+          "reactants": {
+            "TERPNIT": { }
+          },
+          "products": {
+            "TERPROD1": { },
+            "NO2": { },
+            "HO2": { }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 1.45e-12,
+          "Ea": -3.03743e-21,
+          "reactants": {
+            "N": { },
+            "NO2": { }
+          },
+          "products": {
+            "N2": { },
+            "O2": { }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 3.4e-11,
+          "Ea": 2.20904e-20,
+          "reactants": {
+            "O": { },
+            "CH2O": { }
+          },
+          "products": {
+            "HO2": { },
+            "OH": { },
+            "CO": { }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 7.5e-13,
+          "Ea": -9.66454e-21,
+          "reactants": {
+            "TOLUO2VBS": { },
+            "HO2": { }
+          },
+          "products": {
+            "HO2": { },
+            "SOAG0": { "yield": 0.1364 },
+            "SOAG1": { "yield": 0.0101 },
+            "SOAG2": { "yield": 0.0763 },
+            "SOAG3": { "yield": 0.2157 },
+            "SOAG4": { "yield": 0.0738 }
+          }
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "MUSICA name": "jo2_b=userdefined,",
+          "reactants": {
+            "O2": { }
+          },
+          "products": {
+            "O": { "yield": 2 }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 1.3e-12,
+          "Ea": 2.44375e-20,
+          "reactants": {
+            "OH": { },
+            "HCFC142B": { }
+          },
+          "products": {
+            "CL": { },
+            "COF2": { }
+          }
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "MUSICA name": "jmgly",
+          "reactants": {
+            "CH3COCHO": { }
+          },
+          "products": {
+            "CH3CO3": { },
+            "CO": { },
+            "HO2": { }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 1.17e-10,
+          "reactants": {
+            "CFC114": { },
+            "O1D": { }
+          },
+          "products": {
+            "CL": { "yield": 2 },
+            "COF2": { "yield": 2 }
+          }
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "MUSICA name": "jxylenooh->,jch3ooh",
+          "reactants": {
+            "XYLENOOH": { }
+          },
+          "products": {
+            "OH": { },
+            "HO2": { },
+            "GLYOXAL": { "yield": 0.34 },
+            "CH3COCHO": { "yield": 0.54 },
+            "BIGALD1": { "yield": 0.06 },
+            "BIGALD2": { "yield": 0.2 },
+            "BIGALD3": { "yield": 0.15 },
+            "BIGALD4": { "yield": 0.21 }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 8.1e-12,
+          "Ea": -3.72775e-21,
+          "reactants": {
+            "NO": { },
+            "CH3CO3": { }
+          },
+          "products": {
+            "CH3O2": { },
+            "CO2": { },
+            "NO2": { }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 2.0e-12,
+          "reactants": {
+            "HONITR": { },
+            "OH": { }
+          },
+          "products": {
+            "ONITR": { },
+            "HO2": { }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 2.12e-13,
+          "Ea": -1.79484e-20,
+          "reactants": {
+            "ISOPO2VBS": { },
+            "HO2": { }
+          },
+          "products": {
+            "HO2": { },
+            "SOAG0": { "yield": 0.0031 },
+            "SOAG1": { "yield": 0.0035 },
+            "SOAG2": { "yield": 0.0003 },
+            "SOAG3": { "yield": 0.0271 },
+            "SOAG4": { "yield": 0.0474 }
+          }
+        },
+        {
+          "type": "TROE",
+          "k0_A": 1.07767,
+          "k0_B": -5.6,
+          "k0_C": -14000,
+          "kinf_A": 1.03323e+17,
+          "kinf_C": -14000,
+          "N": 1.5,
+          "reactants": {
+            "PAN": { }
+          },
+          "products": {
+            "CH3CO3": { },
+            "NO2": { }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 2.9e-12,
+          "Ea": -6.90325e-21,
+          "reactants": {
+            "CH3CO3": { "qty": 2 }
+          },
+          "products": {
+            "CH3O2": { "yield": 2 },
+            "CO2": { "yield": 2 }
+          }
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "MUSICA name": "jch4_b",
+          "reactants": {
+            "CH4": { }
+          },
+          "products": {
+            "H2": { "yield": 1.44 },
+            "CH2O": { "yield": 0.18 },
+            "O": { "yield": 0.18 },
+            "OH": { "yield": 0.33 },
+            "H": { "yield": 0.33 },
+            "CO2": { "yield": 0.44 },
+            "CO": { "yield": 0.38 },
+            "H2O": { "yield": 0.05 }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 1.63e-10,
+          "Ea": -8.28389e-22,
+          "reactants": {
+            "H2O": { },
+            "O1D": { }
+          },
+          "products": {
+            "OH": { "yield": 2 }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 6.0e-13,
+          "Ea": -3.17549e-21,
+          "reactants": {
+            "OH": { },
+            "CLO": { }
+          },
+          "products": {
+            "HCL": { },
+            "O2": { }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 1.2e-11,
+          "Ea": -6.07486e-21,
+          "reactants": {
+            "OH": { },
+            "MTERP": { }
+          },
+          "products": {
+            "MTERP": { },
+            "OH": { },
+            "MTERPO2VBS": { }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 1.8e-10,
+          "reactants": {
+            "CH3BR": { },
+            "O1D": { }
+          },
+          "products": {
+            "BR": { }
+          }
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "MUSICA name": "jterp2ooh->,jch3ooh",
+          "reactants": {
+            "TERP2OOH": { }
+          },
+          "products": {
+            "OH": { },
+            "CH2O": { "yield": 0.375 },
+            "CH3COCH3": { "yield": 0.3 },
+            "CO": { "yield": 0.25 },
+            "CO2": { },
+            "TERPROD2": { },
+            "HO2": { },
+            "GLYALD": { "yield": 0.25 }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 1.34e-11,
+          "reactants": {
+            "SVOC": { },
+            "OH": { }
+          },
+          "products": {
+            "OH": { },
+            "SOAG0": { "yield": 0.5931 },
+            "SOAG1": { "yield": 0.1534 },
+            "SOAG2": { "yield": 0.0459 },
+            "SOAG3": { "yield": 0.0085 },
+            "SOAG4": { "yield": 0.0128 }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 3.8e-12,
+          "Ea": -2.7613e-21,
+          "reactants": {
+            "XYLENOOH": { },
+            "OH": { }
+          },
+          "products": {
+            "XYLENO2": { }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 9.9e-11,
+          "reactants": {
+            "HCL": { },
+            "O1D": { }
+          },
+          "products": {
+            "CL": { },
+            "OH": { }
+          }
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "MUSICA name": "jbrono2_a",
+          "reactants": {
+            "BRONO2": { }
+          },
+          "products": {
+            "BR": { },
+            "NO3": { }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 5.7e-11,
+          "reactants": {
+            "SO": { },
+            "BRO": { }
+          },
+          "products": {
+            "SO2": { },
+            "BR": { }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 2.6e-12,
+          "Ea": -5.03937e-21,
+          "reactants": {
+            "NO": { },
+            "BENZO2": { }
+          },
+          "products": {
+            "NO2": { },
+            "GLYOXAL": { },
+            "BIGALD1": { "yield": 0.5 },
+            "HO2": { }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 2.6e-12,
+          "Ea": -5.03937e-21,
+          "reactants": {
+            "TOLO2": { },
+            "NO": { }
+          },
+          "products": {
+            "NO2": { },
+            "GLYOXAL": { "yield": 0.6 },
+            "CH3COCHO": { "yield": 0.4 },
+            "HO2": { },
+            "BIGALD1": { "yield": 0.2 },
+            "BIGALD2": { "yield": 0.2 },
+            "BIGALD3": { "yield": 0.2 }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 2.0e-10,
+          "reactants": {
+            "BCARY": { },
+            "OH": { }
+          },
+          "products": {
+            "BCARY": { },
+            "OH": { },
+            "BCARYO2VBS": { }
+          }
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "MUSICA name": "jbigald4->,.006*jno2",
+          "reactants": {
+            "BIGALD4": { }
+          },
+          "products": {
+            "HO2": { },
+            "CO": { },
+            "CH3COCHO": { },
+            "CH3CO3": { }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 3.75e-13,
+          "Ea": 5.5226e-22,
+          "reactants": {
+            "CH3O2": { },
+            "C3H7O2": { }
+          },
+          "products": {
+            "CH2O": { },
+            "HO2": { },
+            "CH3COCH3": { "yield": 0.82 }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 7.65e-11,
+          "reactants": {
+            "O1D": { },
+            "HCFC22": { }
+          },
+          "products": {
+            "CL": { },
+            "COF2": { }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 2.3e-12,
+          "Ea": 2.3471e-21,
+          "reactants": {
+            "MEK": { },
+            "OH": { }
+          },
+          "products": {
+            "MEKO2": { }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 1.38889e+16,
+          "Ea": 8.40401e-20,
+          "reactants": {
+            "CL2O2": { },
+            "M": { }
+          },
+          "products": {
+            "CLO": { "yield": 2 },
+            "M": { }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 3.8e-12,
+          "Ea": -2.7613e-21,
+          "reactants": {
+            "OH": { },
+            "TOLOOH": { }
+          },
+          "products": {
+            "TOLO2": { }
+          }
+        },
+        {
+          "type": "PHOTOLYSIS",
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+      "reaction probability": 0.01,
+      "gas-phase reactant": "NTERPOOH",
+      "gas-phase products": {
+        "HNO3": { }
+      }
+    },
+    {
+      "type": "USER_DEFINED",
+      "MUSICA name": "usr_CO_OH; non-standard algorithm",
+      "reactants": {
+        "OH": { },
+        "CO": { }
+      },
+      "products": {
+        "CO2": { },
+        "HO2": { }
+      },
+      "MUSICA name": "k_co_oh_jpl19"
+    },
+    {
+      "type": "SURFACE",
+      "MUSICA name": "usr_NC4CH2OH_aer",
+      "reaction probability": 0.005,
+      "gas-phase reactant": "NC4CH2OH",
+      "gas-phase products": {
+        "HNO3": { }
+      }
+    },
+    {
+      "type": "USER_DEFINED",
+      "MUSICA name": "het4",
+      "reactants": {
+        "CLONO2": { },
+        "HCL": { }
+      },
+      "products": {
+        "CL2": { },
+        "HNO3": { }
+      }
+    }
+  ]
+}
diff --git a/examples/TS1/species.json b/examples/TS1/species.json
new file mode 100644
index 000000000..6d7e014fc
--- /dev/null
+++ b/examples/TS1/species.json
@@ -0,0 +1,1281 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    },
+    {
+      "name": "ALKNIT",
+      "type": "CHEM_SPEC",
+      "__description": "standard alkyl nitrate from BIGALK+OH chemistry",
+      "molecular weight [kg mol-1]": 0.133141
+    },
+    {
+      "name": "BZOOH",
+      "type": "CHEM_SPEC",
+      "__description": "hydroperoxide from toluene oxidation",
+      "molecular weight [kg mol-1]": 0.124135
+    },
+    {
+      "name": "C6H5OOH",
+      "type": "CHEM_SPEC",
+      "__description": "phenyl hydroperoxide",
+      "molecular weight [kg mol-1]": 0.110109
+    },
+    {
+      "name": "COF2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "O2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "COFCL",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "HF",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "F",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "BENZO2",
+      "type": "CHEM_SPEC",
+      "__description": "bicyclic peroxy radical from OH + benzene",
+      "molecular weight [kg mol-1]": 0.159115
+    },
+    {
+      "name": "BZOO",
+      "type": "CHEM_SPEC",
+      "__description": "peroxy radical from toluene oxidation",
+      "molecular weight [kg mol-1]": 0.123128
+    },
+    {
+      "name": "N2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "E90",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "NH_5",
+      "type": "CHEM_SPEC",
+      "__description": "idealized tracer with 5 day loss rate",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "NH_50",
+      "type": "CHEM_SPEC",
+      "__description": "idealized tracer with 50-day loss rate",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "ST80_25",
+      "type": "CHEM_SPEC",
+      "__description": "Stratospheric loss tracer",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "PAN",
+      "type": "CHEM_SPEC",
+      "__description": "peroxy acetyl nitrate",
+      "molecular weight [kg mol-1]": 0.121048
+    },
+    {
+      "name": "MVK",
+      "type": "CHEM_SPEC",
+      "__description": "methyl vinyl ketone",
+      "molecular weight [kg mol-1]": 0.0700878
+    },
+    {
+      "name": "MACROOH",
+      "type": "CHEM_SPEC",
+      "__description": "peroxide from methacrolein",
+      "molecular weight [kg mol-1]": 0.120101
+    },
+    {
+      "name": "SOAG0",
+      "type": "CHEM_SPEC",
+      "__description": "SOA gas-phase precursor VBS bin 0",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "SOAG1",
+      "type": "CHEM_SPEC",
+      "__description": "SOA gas-phase precursor VBS bin 1",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "SOAG2",
+      "type": "CHEM_SPEC",
+      "__description": "SOA gas-phase precursor VBS bin 2",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "SOAG3",
+      "type": "CHEM_SPEC",
+      "__description": "SOA gas-phase precursor VBS bin 3",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "SOAG4",
+      "type": "CHEM_SPEC",
+      "__description": "SOA gas-phase precursor VBS bin 4",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "soa4_a1",
+      "type": "CHEM_SPEC",
+      "__description": "SOA bin 4, MAM accumulation mode",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "soa5_a1",
+      "type": "CHEM_SPEC",
+      "__description": "SOA bin 5, MAM accumulation mode",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "soa5_a2",
+      "type": "CHEM_SPEC",
+      "__description": "SOA bin 5, MAM Aitken mode",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "soa3_a1",
+      "type": "CHEM_SPEC",
+      "__description": "SOA bin 3, MAM accumulation mode",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "soa2_a1",
+      "type": "CHEM_SPEC",
+      "__description": "SOA bin 2, MAM accumulation mode",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "soa1_a1",
+      "type": "CHEM_SPEC",
+      "__description": "SOA bin 1, MAM accumulation mode",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "soa1_a2",
+      "type": "CHEM_SPEC",
+      "__description": "SOA bin 1, MAM Aitken mode",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "soa2_a2",
+      "type": "CHEM_SPEC",
+      "__description": "SOA bin 2, MAM Aitken mode",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "soa3_a2",
+      "type": "CHEM_SPEC",
+      "__description": "SOA bin 3, MAM Aitken mode",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "soa4_a2",
+      "type": "CHEM_SPEC",
+      "__description": "SOA bin 4, MAM Aitken mode",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "ISOPNITB",
+      "type": "CHEM_SPEC",
+      "__description": "1,4-hydroxynitrate from OH+isoprene chemistry",
+      "molecular weight [kg mol-1]": 0.147126,
+      "diffusion coefficient [m2 s-1]": 1000.0
+    },
+    {
+      "name": "SO3",
+      "type": "CHEM_SPEC",
+      "__description": "sulfur trioxide",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "OCS",
+      "type": "CHEM_SPEC",
+      "__description": "carbonyl sulfide",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "SO",
+      "type": "CHEM_SPEC",
+      "__description": "sulfur monoxide",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "S",
+      "type": "CHEM_SPEC",
+      "__description": "atomic sulfur",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "BCARYO2VBS",
+      "type": "CHEM_SPEC",
+      "__description": "BCARY oxidation proxy for NOx-dependent VBS-SOA",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "SF6",
+      "type": "CHEM_SPEC",
+      "__description": "sulfur hexafluoride",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "sink",
+      "type": "CHEM_SPEC",
+      "__description": "sink for sulfur hexaflouride",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "H",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.0010074
+    },
+    {
+      "name": "MEK",
+      "type": "CHEM_SPEC",
+      "__description": "methyl ethyl ketone",
+      "molecular weight [kg mol-1]": 0.0721026
+    },
+    {
+      "name": "MTERP",
+      "type": "CHEM_SPEC",
+      "__description": "lumped monoterpenes",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "N2O5",
+      "type": "CHEM_SPEC",
+      "__description": "dinitrogen pentoxide",
+      "molecular weight [kg mol-1]": 0.10801,
+      "diffusion coefficient [m2 s-1]": 1000.0
+    },
+    {
+      "name": "HCN",
+      "type": "CHEM_SPEC",
+      "__description": "hydrogen cyanide",
+      "molecular weight [kg mol-1]": 0.0270251
+    },
+    {
+      "name": "SVOC",
+      "type": "CHEM_SPEC",
+      "__description": "semi-volatile organic precursor of VBS SOA",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "ISOPNO3",
+      "type": "CHEM_SPEC",
+      "__description": "peroxy radical from isoprene NO3 oxidation",
+      "molecular weight [kg mol-1]": 0.162118
+    },
+    {
+      "name": "RO2",
+      "type": "CHEM_SPEC",
+      "__description": "peroxy radical from acetone",
+      "molecular weight [kg mol-1]": 0.0890682
+    },
+    {
+      "name": "PHENO2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.175114
+    },
+    {
+      "name": "BENZO2VBS",
+      "type": "CHEM_SPEC",
+      "__description": "benzene oxidation proxy for NOx-dependent VBS-SOA",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "IVOC",
+      "type": "CHEM_SPEC",
+      "__description": "intermediate volatility organic precursor of VBS SOA",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "TERPNIT",
+      "type": "CHEM_SPEC",
+      "__description": "mostly hydroxynitrates from OH+terpene chemistry",
+      "molecular weight [kg mol-1]": 0.21524,
+      "diffusion coefficient [m2 s-1]": 1000.0
+    },
+    {
+      "name": "ISOPO2VBS",
+      "type": "CHEM_SPEC",
+      "__description": "isoprene oxidation proxy for NOx-dependent VBS-SOA",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "IVOCO2VBS",
+      "type": "CHEM_SPEC",
+      "__description": "IVOC oxidation proxy for NOx-dependent VBS-SOA",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "HNO3",
+      "type": "CHEM_SPEC",
+      "__description": "nitric acid",
+      "molecular weight [kg mol-1]": 0.0630123
+    },
+    {
+      "name": "ACBZO2",
+      "type": "CHEM_SPEC",
+      "__description": "acylperoxy radical from benzaldehyde",
+      "molecular weight [kg mol-1]": 0.137112
+    },
+    {
+      "name": "CH3COOOH",
+      "type": "CHEM_SPEC",
+      "__description": "peracetic acid",
+      "molecular weight [kg mol-1]": 0.0760498
+    },
+    {
+      "name": "SO2",
+      "type": "CHEM_SPEC",
+      "__description": "sulfur dioxide",
+      "molecular weight [kg mol-1]": 0.0640648
+    },
+    {
+      "name": "MTERPO2VBS",
+      "type": "CHEM_SPEC",
+      "__description": "MTERP oxidation proxy for NOx-dependent VBS-SOA",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "CH4",
+      "type": "CHEM_SPEC",
+      "__description": "methane",
+      "molecular weight [kg mol-1]": 0.0160406
+    },
+    {
+      "name": "CH3CL",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.0504859
+    },
+    {
+      "name": "CH3CO3",
+      "type": "CHEM_SPEC",
+      "__description": "acetylperoxy radical",
+      "molecular weight [kg mol-1]": 0.0750424
+    },
+    {
+      "name": "C6H5O2",
+      "type": "CHEM_SPEC",
+      "__description": "phenylperoxy radical",
+      "molecular weight [kg mol-1]": 0.109102
+    },
+    {
+      "name": "TERPROD1",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.168227
+    },
+    {
+      "name": "HYAC",
+      "type": "CHEM_SPEC",
+      "__description": "hydroxyacetone",
+      "molecular weight [kg mol-1]": 0.0740762
+    },
+    {
+      "name": "HPALD",
+      "type": "CHEM_SPEC",
+      "__description": "hydroperoxyaldehyde",
+      "molecular weight [kg mol-1]": 0.116112
+    },
+    {
+      "name": "TOLUO2VBS",
+      "type": "CHEM_SPEC",
+      "__description": "toluene oxidation proxy for NOx-dependent VBS-SOA",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "H2O",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.0180142
+    },
+    {
+      "name": "NO2",
+      "type": "CHEM_SPEC",
+      "__description": "nitrogen dioxide",
+      "molecular weight [kg mol-1]": 0.0460055,
+      "diffusion coefficient [m2 s-1]": 1000.0
+    },
+    {
+      "name": "EOOH",
+      "type": "CHEM_SPEC",
+      "__description": "hydroxyhydroperoxide from OH + ethene chemistry",
+      "molecular weight [kg mol-1]": 0.0780646
+    },
+    {
+      "name": "NTERPOOH",
+      "type": "CHEM_SPEC",
+      "__description": "nitrooxy-hydroperoxide from NO3+terpene chemistry",
+      "molecular weight [kg mol-1]": 0.23124,
+      "diffusion coefficient [m2 s-1]": 1000.0
+    },
+    {
+      "name": "XYLEO2VBS",
+      "type": "CHEM_SPEC",
+      "__description": "xylenes oxidation proxy for NOx-dependent VBS-SOA",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "CCL4",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.153822
+    },
+    {
+      "name": "CF2CLBR",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.165365
+    },
+    {
+      "name": "CF3BR",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.14891
+    },
+    {
+      "name": "CFC11",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.137368
+    },
+    {
+      "name": "CFC113",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.187375
+    },
+    {
+      "name": "CFC114",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.170921
+    },
+    {
+      "name": "CFC115",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.154467
+    },
+    {
+      "name": "CFC12",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.120913
+    },
+    {
+      "name": "CH2BR2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.173834
+    },
+    {
+      "name": "CH3BR",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.0949372
+    },
+    {
+      "name": "CH3CCL3",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.133402
+    },
+    {
+      "name": "NO",
+      "type": "CHEM_SPEC",
+      "__description": "nitric oxide",
+      "molecular weight [kg mol-1]": 0.0300061
+    },
+    {
+      "name": "BR",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.079904
+    },
+    {
+      "name": "BRCL",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.115357
+    },
+    {
+      "name": "BRO",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.0959034
+    },
+    {
+      "name": "BRONO2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.141909
+    },
+    {
+      "name": "CL",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.0354527
+    },
+    {
+      "name": "CL2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.0709054
+    },
+    {
+      "name": "CL2O2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.102904
+    },
+    {
+      "name": "CLO",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.0514521
+    },
+    {
+      "name": "CLONO2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.0974576
+    },
+    {
+      "name": "HCOOH",
+      "type": "CHEM_SPEC",
+      "__description": "formic acid",
+      "molecular weight [kg mol-1]": 0.0460246
+    },
+    {
+      "name": "HBR",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.0809114
+    },
+    {
+      "name": "HOBR",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.0969108
+    },
+    {
+      "name": "HOCL",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.0524595
+    },
+    {
+      "name": "N",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.0140067
+    },
+    {
+      "name": "BIGENE",
+      "type": "CHEM_SPEC",
+      "__description": "lumped alkenes C>3",
+      "molecular weight [kg mol-1]": 0.0561032
+    },
+    {
+      "name": "C2H4",
+      "type": "CHEM_SPEC",
+      "__description": "ethene",
+      "molecular weight [kg mol-1]": 0.0280516
+    },
+    {
+      "name": "C2H5O2",
+      "type": "CHEM_SPEC",
+      "__description": "ethylperoxy radical",
+      "molecular weight [kg mol-1]": 0.0610578
+    },
+    {
+      "name": "CH3COCHO",
+      "type": "CHEM_SPEC",
+      "__description": "methyl glyoxal",
+      "molecular weight [kg mol-1]": 0.0720614
+    },
+    {
+      "name": "CH3COCH3",
+      "type": "CHEM_SPEC",
+      "__description": "acetone",
+      "molecular weight [kg mol-1]": 0.0580768
+    },
+    {
+      "name": "O",
+      "type": "CHEM_SPEC",
+      "__description": "ground state atomic oxygen",
+      "molecular weight [kg mol-1]": 0.0159994
+    },
+    {
+      "name": "OCLO",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.0674515
+    },
+    {
+      "name": "O1D",
+      "type": "CHEM_SPEC",
+      "__description": "excited state atomic oxygen",
+      "molecular weight [kg mol-1]": 0.0159994
+    },
+    {
+      "name": "PHENO",
+      "type": "CHEM_SPEC",
+      "__description": "phenoxy radical",
+      "molecular weight [kg mol-1]": 0.159115
+    },
+    {
+      "name": "HCFC141B",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.116948
+    },
+    {
+      "name": "HCFC142B",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.100494
+    },
+    {
+      "name": "HCFC22",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.0864679
+    },
+    {
+      "name": "DMS",
+      "type": "CHEM_SPEC",
+      "__description": "dimethyl sulfide",
+      "molecular weight [kg mol-1]": 0.0621324
+    },
+    {
+      "name": "C2H5OH",
+      "type": "CHEM_SPEC",
+      "__description": "ethanol",
+      "molecular weight [kg mol-1]": 0.0460658
+    },
+    {
+      "name": "HCL",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.0364601
+    },
+    {
+      "name": "BEPOMUC",
+      "type": "CHEM_SPEC",
+      "__description": "unsaturated dialdehydic epoxide from OH + benzene",
+      "molecular weight [kg mol-1]": 0.126109
+    },
+    {
+      "name": "CHBR3",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.25273
+    },
+    {
+      "name": "H2402",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.259824
+    },
+    {
+      "name": "CO2",
+      "type": "CHEM_SPEC",
+      "__description": "carbon dioxide",
+      "molecular weight [kg mol-1]": 0.0440098
+    },
+    {
+      "name": "BZALD",
+      "type": "CHEM_SPEC",
+      "__description": "benzaldehyde",
+      "molecular weight [kg mol-1]": 0.106121
+    },
+    {
+      "name": "BENZENE",
+      "type": "CHEM_SPEC",
+      "__description": "benzene",
+      "molecular weight [kg mol-1]": 0.0781104
+    },
+    {
+      "name": "C3H7O2",
+      "type": "CHEM_SPEC",
+      "__description": "propylperoxy radical",
+      "molecular weight [kg mol-1]": 0.0750836
+    },
+    {
+      "name": "CH3O2",
+      "type": "CHEM_SPEC",
+      "__description": "methylperoxy radical",
+      "molecular weight [kg mol-1]": 0.047032
+    },
+    {
+      "name": "BCARY",
+      "type": "CHEM_SPEC",
+      "__description": "beta-caryophyllene",
+      "molecular weight [kg mol-1]": 0.204343
+    },
+    {
+      "name": "BIGALD",
+      "type": "CHEM_SPEC",
+      "__description": "lumped aldehyde from terpene ozonolysis",
+      "molecular weight [kg mol-1]": 0.0980982
+    },
+    {
+      "name": "BIGALD2",
+      "type": "CHEM_SPEC",
+      "__description": "4-oxy-2-pentenal, a product of aromatic oxidation",
+      "molecular weight [kg mol-1]": 0.0980982
+    },
+    {
+      "name": "BIGALD3",
+      "type": "CHEM_SPEC",
+      "__description": "2-methyl butenedial, a product of aromatic oxidation",
+      "molecular weight [kg mol-1]": 0.0980982
+    },
+    {
+      "name": "BIGALD4",
+      "type": "CHEM_SPEC",
+      "__description": "2-methyl-4-oxo-2-pentenal, a product of aromatic oxidation",
+      "molecular weight [kg mol-1]": 0.112124
+    },
+    {
+      "name": "BIGALK",
+      "type": "CHEM_SPEC",
+      "__description": "lumped alkanes C>3",
+      "molecular weight [kg mol-1]": 0.0721438
+    },
+    {
+      "name": "H2O2",
+      "type": "CHEM_SPEC",
+      "__description": "hydrogen peroxide",
+      "molecular weight [kg mol-1]": 0.0340136
+    },
+    {
+      "name": "C2H5OOH",
+      "type": "CHEM_SPEC",
+      "__description": "ethyl hydroperoxide",
+      "molecular weight [kg mol-1]": 0.0620652
+    },
+    {
+      "name": "C2H6",
+      "type": "CHEM_SPEC",
+      "__description": "ethane",
+      "molecular weight [kg mol-1]": 0.0300664
+    },
+    {
+      "name": "C3H8",
+      "type": "CHEM_SPEC",
+      "__description": "propane",
+      "molecular weight [kg mol-1]": 0.0440922
+    },
+    {
+      "name": "C3H6",
+      "type": "CHEM_SPEC",
+      "__description": "propene",
+      "molecular weight [kg mol-1]": 0.0420774
+    },
+    {
+      "name": "CH2O",
+      "type": "CHEM_SPEC",
+      "__description": "formaldehyde",
+      "molecular weight [kg mol-1]": 0.0300252
+    },
+    {
+      "name": "CH3CN",
+      "type": "CHEM_SPEC",
+      "__description": "acetonitrile",
+      "molecular weight [kg mol-1]": 0.0410509
+    },
+    {
+      "name": "C2H2",
+      "type": "CHEM_SPEC",
+      "__description": "ethyne",
+      "molecular weight [kg mol-1]": 0.0260368
+    },
+    {
+      "name": "CH3OH",
+      "type": "CHEM_SPEC",
+      "__description": "methanol",
+      "molecular weight [kg mol-1]": 0.03204
+    },
+    {
+      "name": "CH3OOH",
+      "type": "CHEM_SPEC",
+      "__description": "methyl hydroperoxide",
+      "molecular weight [kg mol-1]": 0.0480394
+    },
+    {
+      "name": "CRESOL",
+      "type": "CHEM_SPEC",
+      "__description": "lumped cresols (hydroxymethylbenzenes)",
+      "molecular weight [kg mol-1]": 0.108136
+    },
+    {
+      "name": "ENEO2",
+      "type": "CHEM_SPEC",
+      "__description": "lumped hydroxyperoxy radical from OH + large alkenes",
+      "molecular weight [kg mol-1]": 0.105109
+    },
+    {
+      "name": "MACRO2",
+      "type": "CHEM_SPEC",
+      "__description": "peroxy radical from methacrolein oxidation",
+      "molecular weight [kg mol-1]": 0.119093
+    },
+    {
+      "name": "ISOPAO2",
+      "type": "CHEM_SPEC",
+      "__description": "1,2-isomer of isoprene peroxy radical",
+      "molecular weight [kg mol-1]": 0.11712
+    },
+    {
+      "name": "MALO2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.115064
+    },
+    {
+      "name": "ISOPBO2",
+      "type": "CHEM_SPEC",
+      "__description": "1,4-isomer of isoprene peroxy radical",
+      "molecular weight [kg mol-1]": 0.11712
+    },
+    {
+      "name": "MCO3",
+      "type": "CHEM_SPEC",
+      "__description": "peroxy radical from OH abstraction reaction with MACR",
+      "molecular weight [kg mol-1]": 0.101079
+    },
+    {
+      "name": "MDIALO2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.117079
+    },
+    {
+      "name": "MEKO2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.103094
+    },
+    {
+      "name": "EO2",
+      "type": "CHEM_SPEC",
+      "__description": "hydroxyperoxy radical from OH + ethene chemistry",
+      "molecular weight [kg mol-1]": 0.0770572
+    },
+    {
+      "name": "EO",
+      "type": "CHEM_SPEC",
+      "__description": "hydroxyalkoxy radical from OH + ethene chemistry",
+      "molecular weight [kg mol-1]": 0.0610578
+    },
+    {
+      "name": "GLYOXAL",
+      "type": "CHEM_SPEC",
+      "__description": "glyoxal",
+      "molecular weight [kg mol-1]": 0.0580356,
+      "diffusion coefficient [m2 s-1]": 1e300
+    },
+    {
+      "name": "MPAN",
+      "type": "CHEM_SPEC",
+      "__description": "methacrylol peroxynitrate",
+      "molecular weight [kg mol-1]": 0.147085
+    },
+    {
+      "name": "NC4CH2OH",
+      "type": "CHEM_SPEC",
+      "__description": "nitrooxy-alcohol from NO3+isoprene chemistry",
+      "molecular weight [kg mol-1]": 0.147126,
+      "diffusion coefficient [m2 s-1]": 1000.0
+    },
+    {
+      "name": "ISOPOOH",
+      "type": "CHEM_SPEC",
+      "__description": "unsaturated hydroxyhydroperoxide",
+      "molecular weight [kg mol-1]": 0.118127
+    },
+    {
+      "name": "GLYALD",
+      "type": "CHEM_SPEC",
+      "__description": "glycolaldehyde",
+      "molecular weight [kg mol-1]": 0.0600504
+    },
+    {
+      "name": "HO2",
+      "type": "CHEM_SPEC",
+      "__description": "hydroperoxyl radical",
+      "molecular weight [kg mol-1]": 0.0330062,
+      "diffusion coefficient [m2 s-1]": 1000.0
+    },
+    {
+      "name": "HOCH2OO",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.0630314
+    },
+    {
+      "name": "H2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.0020148
+    },
+    {
+      "name": "HYDRALD",
+      "type": "CHEM_SPEC",
+      "__description": "lumped unsturated hydroxycarbonyl",
+      "molecular weight [kg mol-1]": 0.100113
+    },
+    {
+      "name": "ISOP",
+      "type": "CHEM_SPEC",
+      "__description": "isoprene",
+      "molecular weight [kg mol-1]": 0.0681142
+    },
+    {
+      "name": "NTERPO2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.230232
+    },
+    {
+      "name": "TOLO2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.173141
+    },
+    {
+      "name": "TERP2O2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.199219
+    },
+    {
+      "name": "XYLENO2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.187166
+    },
+    {
+      "name": "TERPO2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.185234
+    },
+    {
+      "name": "XYLOLO2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.203166
+    },
+    {
+      "name": "PBZNIT",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.183118
+    },
+    {
+      "name": "XYLENES",
+      "type": "CHEM_SPEC",
+      "__description": "lumped xylenes",
+      "molecular weight [kg mol-1]": 0.106162
+    },
+    {
+      "name": "PO2",
+      "type": "CHEM_SPEC",
+      "__description": "propene peroxy radical",
+      "molecular weight [kg mol-1]": 0.091083
+    },
+    {
+      "name": "TOLUENE",
+      "type": "CHEM_SPEC",
+      "__description": "toluene",
+      "molecular weight [kg mol-1]": 0.0921362
+    },
+    {
+      "name": "XO2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.149119
+    },
+    {
+      "name": "XOOH",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.150126
+    },
+    {
+      "name": "TERPROD2",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.154201
+    },
+    {
+      "name": "MEKOOH",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.104101
+    },
+    {
+      "name": "MACR",
+      "type": "CHEM_SPEC",
+      "__description": "methacrolein",
+      "molecular weight [kg mol-1]": 0.0700878
+    },
+    {
+      "name": "HONITR",
+      "type": "CHEM_SPEC",
+      "__description": "lumped hydroxynitrates from various compounds (formula updated 2017-04-06)",
+      "molecular weight [kg mol-1]": 0.1331,
+      "diffusion coefficient [m2 s-1]": 1000.0
+    },
+    {
+      "name": "ISOPNITA",
+      "type": "CHEM_SPEC",
+      "__description": "1,2-hydroxynitrate from OH+isoprene chemistry",
+      "molecular weight [kg mol-1]": 0.147126,
+      "diffusion coefficient [m2 s-1]": 1000.0
+    },
+    {
+      "name": "ISOPNOOH",
+      "type": "CHEM_SPEC",
+      "__description": "nitroxy-hydroperoxide from NO3+isoprene chemistry",
+      "molecular weight [kg mol-1]": 0.163125
+    },
+    {
+      "name": "IEPOX",
+      "type": "CHEM_SPEC",
+      "__description": "isoprene epoxide",
+      "molecular weight [kg mol-1]": 0.118127
+    },
+    {
+      "name": "ONITR",
+      "type": "CHEM_SPEC",
+      "__description": "lumped hydroxynitrates (formula updated 2017-04-06)",
+      "molecular weight [kg mol-1]": 0.147126,
+      "diffusion coefficient [m2 s-1]": 1000.0
+    },
+    {
+      "name": "H2SO4",
+      "type": "CHEM_SPEC",
+      "__description": "sulfuric acid",
+      "molecular weight [kg mol-1]": 0.0980784
+    },
+    {
+      "name": "N2O",
+      "type": "CHEM_SPEC",
+      "__description": "nitrous oxide",
+      "molecular weight [kg mol-1]": 0.0440129
+    },
+    {
+      "name": "NO3",
+      "type": "CHEM_SPEC",
+      "__description": "nitrate radical",
+      "molecular weight [kg mol-1]": 0.0620049,
+      "diffusion coefficient [m2 s-1]": 1000.0
+    },
+    {
+      "name": "OH",
+      "type": "CHEM_SPEC",
+      "__description": "hydroxyl radical",
+      "molecular weight [kg mol-1]": 0.0170068
+    },
+    {
+      "name": "PHENOOH",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.176122
+    },
+    {
+      "name": "PHENOL",
+      "type": "CHEM_SPEC",
+      "__description": "phenol, product of benzene chemistry",
+      "molecular weight [kg mol-1]": 0.0941098
+    },
+    {
+      "name": "XYLOL",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.122161
+    },
+    {
+      "name": "ROOH",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.0900756
+    },
+    {
+      "name": "O3",
+      "type": "CHEM_SPEC",
+      "__description": "ozone",
+      "molecular weight [kg mol-1]": 0.0479982
+    },
+    {
+      "name": "TERPOOH",
+      "type": "CHEM_SPEC",
+      "__description": "Hydroxy hydroperoxide from terpene 0 double bonds",
+      "molecular weight [kg mol-1]": 0.186241
+    },
+    {
+      "name": "TOLOOH",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.174148
+    },
+    {
+      "name": "XYLENOOH",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.188174
+    },
+    {
+      "name": "XYLOLOOH",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.204173
+    },
+    {
+      "name": "CO",
+      "type": "CHEM_SPEC",
+      "__description": "carbon monoxide",
+      "molecular weight [kg mol-1]": 0.0280104
+    },
+    {
+      "name": "CH3COOH",
+      "type": "CHEM_SPEC",
+      "__description": "acetic acid",
+      "molecular weight [kg mol-1]": 0.0600504
+    },
+    {
+      "name": "CH3CHO",
+      "type": "CHEM_SPEC",
+      "__description": "acetaldehyde",
+      "molecular weight [kg mol-1]": 0.044051
+    },
+    {
+      "name": "BIGALD1",
+      "type": "CHEM_SPEC",
+      "__description": "butenedial, a product of aromatic oxidation",
+      "molecular weight [kg mol-1]": 0.0840724
+    },
+    {
+      "name": "ALKOOH",
+      "type": "CHEM_SPEC",
+      "__description": "lumped alkane peroxide",
+      "molecular weight [kg mol-1]": 0.104143
+    },
+    {
+      "name": "DICARBO2",
+      "type": "CHEM_SPEC",
+      "__description": "acylperoxy radical formed from aromatic oxidation, via unsaturated dicarbonyl chemistry",
+      "molecular weight [kg mol-1]": 0.12909
+    },
+    {
+      "name": "BENZOOH",
+      "type": "CHEM_SPEC",
+      "__description": "bicyclic hydroperoxide from OH + benzene",
+      "molecular weight [kg mol-1]": 0.160122
+    },
+    {
+      "name": "ALKO2",
+      "type": "CHEM_SPEC",
+      "__description": "lumped alkane peroxy radical from BIGALK",
+      "molecular weight [kg mol-1]": 0.103135
+    },
+    {
+      "name": "HO2NO2",
+      "type": "CHEM_SPEC",
+      "__description": "pernitric acid",
+      "molecular weight [kg mol-1]": 0.0790117
+    },
+    {
+      "name": "C3H7OOH",
+      "type": "CHEM_SPEC",
+      "__description": "propyl hydrogen peroxide",
+      "molecular weight [kg mol-1]": 0.076091
+    },
+    {
+      "name": "NH3",
+      "type": "CHEM_SPEC",
+      "__description": "ammonia",
+      "molecular weight [kg mol-1]": 0.017031
+    },
+    {
+      "name": "TERP2OOH",
+      "type": "CHEM_SPEC",
+      "__description": "2nd generation terpene hydroperoxide",
+      "molecular weight [kg mol-1]": 0.200226
+    },
+    {
+      "name": "POOH",
+      "type": "CHEM_SPEC",
+      "__description": "",
+      "molecular weight [kg mol-1]": 0.0920904
+    },
+    {
+      "name": "NOA",
+      "type": "CHEM_SPEC",
+      "__description": "nitrooxyacetone, largely from NO3+propene chemistry",
+      "molecular weight [kg mol-1]": 0.119074
+    },
+    {
+      "name": "NC4CHO",
+      "type": "CHEM_SPEC",
+      "__description": "nitrooxy-aldehyde from NO3+isoprene chemistry",
+      "molecular weight [kg mol-1]": 0.145111,
+      "diffusion coefficient [m2 s-1]": 1000.0
+    },
+    {
+      "name": "TEPOMUC",
+      "type": "CHEM_SPEC",
+      "__description": "toluene, xylenes product",
+      "molecular weight [kg mol-1]": 0.140134
+    },
+    {
+      "name": "NH4",
+      "type": "CHEM_SPEC",
+      "__description": "Ammonium",
+      "molecular weight [kg mol-1]": 0
+    },
+    {
+      "name": "M",
+      "type": "CHEM_SPEC",
+      "__description": "third-body species"
+    }
+
+  ]
+}
diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index ddf79c85c..a67e85808 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -326,6 +326,10 @@ namespace micm
         {
           status = ParseSurface(object);
         }
+        else if (type == "USER_DEFINED")
+        {
+          status = ParseUserDefined(object);
+        }
         else
         {
           status = ConfigParseStatus::UnknownKey;
@@ -884,6 +888,41 @@ namespace micm
       return ConfigParseStatus::Success;
     }
 
+    ConfigParseStatus ParseUserDefined(const json& object)
+    {
+      const std::string REACTANTS = "reactants";
+      const std::string PRODUCTS = "products";
+      const std::string MUSICA_NAME = "MUSICA name";
+
+      auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, {});
+      if (status != ConfigParseStatus::Success)
+      {
+        return status;
+      }
+
+      auto reactants = ParseReactants(object[REACTANTS]);
+      auto products = ParseProducts(object[PRODUCTS]);
+
+      if (reactants.first != ConfigParseStatus::Success)
+      {
+        return reactants.first;
+      }
+      if (products.first != ConfigParseStatus::Success)
+      {
+        return products.first;
+      }
+
+      std::string name = "USER." + object[MUSICA_NAME].get<std::string>();
+
+      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
+
+      std::unique_ptr<UserDefinedRateConstant> rate_ptr =
+          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
+      processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
+
+      return ConfigParseStatus::Success;
+    }
+
     ConfigParseStatus ParseSurface(const json& object)
     {
       const std::string REACTANTS = "gas-phase reactant";
@@ -937,7 +976,7 @@ namespace micm
       processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
       return ConfigParseStatus::Success;
-    }
+    } 
 
     /// @brief Search for nonstandard keys. Only nonstandard keys starting with __ are allowed. Others are considered typos
     /// @param object the object whose keys need to be validated
@@ -986,6 +1025,16 @@ namespace micm
       // check that the number of keys remaining is exactly equal to the expected number of required keys
       if (difference.size() != (sorted_object_keys.size() - required_keys.size()))
       {
+        std::vector<std::string> missing_keys;
+        std::set_difference(
+            sorted_required_keys.begin(),
+            sorted_required_keys.end(),
+            sorted_object_keys.begin(),
+            sorted_object_keys.end(),
+            std::back_inserter(missing_keys));
+        for(auto &key : missing_keys)
+          std::cerr << "Missing required key '" << key << "' in object: " << object << std::endl;
+
         return ConfigParseStatus::RequiredKeyNotFound;
       }
 
@@ -1002,7 +1051,8 @@ namespace micm
       {
         if (!key.starts_with("__"))
         {
-          std::cerr << "non-standard key " << key << std::endl;
+          std::cerr << "Non-standard key '" << key <<"' found in object" << object << std::endl;
+        
           return ConfigParseStatus::ContainsNonStandardKey;
         }
       }
diff --git a/include/micm/process/process_set.hpp b/include/micm/process/process_set.hpp
index ff3b0c0a6..60309713e 100644
--- a/include/micm/process/process_set.hpp
+++ b/include/micm/process/process_set.hpp
@@ -90,6 +90,8 @@ namespace micm
       {
         if (reactant.IsParameterized())
           continue;  // Skip reactants that are parameterizations
+        if (variable_map.count( reactant.name_ ) < 1)
+          throw std::runtime_error("Reactant '" + reactant.name_ + "' does not exist");   
         reactant_ids_.push_back(variable_map.at(reactant.name_));
         ++number_of_reactants;
       }
@@ -97,6 +99,8 @@ namespace micm
       {
         if (product.first.IsParameterized())
           continue;  // Skip products that are parameterizations
+        if (variable_map.count( product.first.name_ ) < 1)
+          throw std::runtime_error("Product '" + product.first.name_ + "' does not exist");   
         product_ids_.push_back(variable_map.at(product.first.name_));
         yields_.push_back(product.second);
         ++number_of_products;
diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt
index a87f8b2f7..5c60c6253 100644
--- a/test/CMakeLists.txt
+++ b/test/CMakeLists.txt
@@ -4,5 +4,8 @@ set(CMAKE_CXX_CLANG_TIDY "")
 add_subdirectory(unit)
 add_subdirectory(regression)
 add_subdirectory(integration)
+if(ENABLE_JSON)
+add_subdirectory(examples)
+endif()
 add_subdirectory(tutorial)
 add_subdirectory(kpp)
diff --git a/test/examples/CMakeLists.txt b/test/examples/CMakeLists.txt
new file mode 100644
index 000000000..fdad13e99
--- /dev/null
+++ b/test/examples/CMakeLists.txt
@@ -0,0 +1,10 @@
+################################################################################
+# Copy test data
+
+add_custom_target(copy_example_configs ALL ${CMAKE_COMMAND} -E copy_directory
+  ${CMAKE_SOURCE_DIR}/examples ${CMAKE_BINARY_DIR}/examples)
+
+################################################################################
+# Build example tests
+
+create_standard_test(NAME TS1 SOURCES test_TS1.cpp)
diff --git a/test/examples/test_TS1.cpp b/test/examples/test_TS1.cpp
new file mode 100644
index 000000000..7f6aca75f
--- /dev/null
+++ b/test/examples/test_TS1.cpp
@@ -0,0 +1,216 @@
+// Copyright (C) 2023 National Center for Atmospheric Research,
+//
+// SPDX-License-Identifier: Apache-2.0
+//
+// Test of the TS1 example mechanism (MZ327_TS1.2_20230307 in the Chemistry Cafe)
+//
+// This only tests that a solver can be built for this mechanism and that it
+// can be run for a given set of initial conditions without solver errors.
+//
+// Comparisons with other chemistry solvers are included in
+// https://github.com/NCAR/MUSICA-Performance-Comparison
+
+#include <gtest/gtest.h>
+
+#include <micm/configure/solver_config.hpp>
+#include <micm/solver/rosenbrock.hpp>
+
+TEST(Examples, TS1)
+{
+  micm::SolverConfig config;
+  std::string config_path = "./examples/TS1";
+  auto status = config.ReadAndParse(config_path);
+  EXPECT_EQ(status, micm::ConfigParseStatus::Success);
+  auto solver_params = config.GetSolverParams();
+  micm::RosenbrockSolver<> solver{ solver_params.system_,
+                                   solver_params.processes_,
+                                   micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+  micm::State state = solver.GetState();
+
+  const double temperature = 287.45;                             // K
+  const double pressure = 101319.9;                              // Pa
+  const double air_density = pressure / (8.3145 * temperature);  // mol m-3
+
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.conditions_[0].air_density_ = air_density;
+
+  // TODO: Replace with CAM-Chem conditions when Derecho is back up
+  std::unordered_map<std::string, std::vector<double>> initial_concentrations = {
+    { "O2", { 0.21 * air_density } },       // mol m-3
+    { "N2", { 0.78 * air_density } },       // mol m-3
+    { "HNO3", { 1.0e-9 * air_density } },   // mol m-3
+    { "SO2", { 1.0e-9 * air_density } },    // mol m-3
+    { "CH4", { 1.8e-6 * air_density } },    // mol m-3
+    { "H2O", { 1.0e-3 * air_density } },    // mol m-3
+    { "NO2", { 1.0e-9 * air_density } },    // mol m-3
+    { "NO", { 1.0e-9 * air_density } },     // mol m-3
+    { "OH", { 1.0e-12 * air_density } },    // mol m-3
+    { "CL2", { 1.0e-9 * air_density } },    // mol m-3
+    { "DMS", { 1.0e-9 * air_density } },    // mol m-3
+    { "CO2", { 0.385e-3 * air_density } },  // mol m-3
+    { "H2O2", { 1.0e-9 * air_density } },   // mol m-3
+    { "ISOP", { 1.0e-9 * air_density } },   // mol m-3
+    { "O3", { 50.0e-9 * air_density } },    // mol m-3
+    { "CO", { 1.0e-9 * air_density } },     // mol m-3
+    { "NH3", { 1.0e-9 * air_density } },    // mol m-3
+    { "M", { air_density } }                // mol m-3
+  };
+  state.SetConcentrations(initial_concentrations);
+
+  // std::cout << "custom rate parameters" << std::endl;
+  // for(auto &rc : state.custom_rate_parameter_map_)
+  //   std::cout << "    { \"" << rc.first << "\", { 1.0e-8 } }, // s-1" << std::endl;
+
+  // TODO: Replace with CAM-Chem rate constants when Derecho is back up
+  std::unordered_map<std::string, std::vector<double>> custom_rate_constants = {
+    { "PHOTO.jacet", { 1.0e-8 } },                  // s-1
+    { "PHOTO.jalknit->,jch3ooh", { 1.0e-8 } },      // s-1
+    { "PHOTO.jalkooh->,jch3ooh", { 1.0e-8 } },      // s-1
+    { "PHOTO.jbenzooh->,jch3ooh", { 1.0e-8 } },     // s-1
+    { "PHOTO.jbepomuc->,.10*jno2", { 1.0e-8 } },    // s-1
+    { "PHOTO.jbigald->,0.2*jno2", { 1.0e-8 } },     // s-1
+    { "PHOTO.jbigald1->,.14*jno2", { 1.0e-8 } },    // s-1
+    { "PHOTO.jbigald2->,.20*jno2", { 1.0e-8 } },    // s-1
+    { "PHOTO.jbigald3->,.20*jno2", { 1.0e-8 } },    // s-1
+    { "PHOTO.jbigald4->,.006*jno2", { 1.0e-8 } },   // s-1
+    { "PHOTO.jbrcl", { 1.0e-8 } },                  // s-1
+    { "PHOTO.jbro", { 1.0e-8 } },                   // s-1
+    { "PHOTO.jbrono2_a", { 1.0e-8 } },              // s-1
+    { "PHOTO.jbrono2_b", { 1.0e-8 } },              // s-1
+    { "PHOTO.jbzooh->,jch3ooh", { 1.0e-8 } },       // s-1
+    { "PHOTO.jc2h5ooh->,jch3ooh", { 1.0e-8 } },     // s-1
+    { "PHOTO.jc3h7ooh->,jch3ooh", { 1.0e-8 } },     // s-1
+    { "PHOTO.jc6h5ooh->,jch3ooh", { 1.0e-8 } },     // s-1
+    { "PHOTO.jccl4", { 1.0e-8 } },                  // s-1
+    { "PHOTO.jcf2cl2", { 1.0e-8 } },                // s-1
+    { "PHOTO.jcf2clbr", { 1.0e-8 } },               // s-1
+    { "PHOTO.jcf3br", { 1.0e-8 } },                 // s-1
+    { "PHOTO.jcfc113", { 1.0e-8 } },                // s-1
+    { "PHOTO.jcfc114", { 1.0e-8 } },                // s-1
+    { "PHOTO.jcfc115", { 1.0e-8 } },                // s-1
+    { "PHOTO.jcfcl3", { 1.0e-8 } },                 // s-1
+    { "PHOTO.jch2br2", { 1.0e-8 } },                // s-1
+    { "PHOTO.jch2o_a", { 1.0e-8 } },                // s-1
+    { "PHOTO.jch2o_b", { 1.0e-8 } },                // s-1
+    { "PHOTO.jch3br", { 1.0e-8 } },                 // s-1
+    { "PHOTO.jch3ccl3", { 1.0e-8 } },               // s-1
+    { "PHOTO.jch3cho", { 1.0e-8 } },                // s-1
+    { "PHOTO.jch3cl", { 1.0e-8 } },                 // s-1
+    { "PHOTO.jch3co3h->,0.28*jh2o2", { 1.0e-8 } },  // s-1
+    { "PHOTO.jch3ooh", { 1.0e-8 } },                // s-1
+    { "PHOTO.jch4_a", { 1.0e-8 } },                 // s-1
+    { "PHOTO.jch4_b", { 1.0e-8 } },                 // s-1
+    { "PHOTO.jchbr3", { 1.0e-8 } },                 // s-1
+    { "PHOTO.jcl2", { 1.0e-8 } },                   // s-1
+    { "PHOTO.jcl2o2", { 1.0e-8 } },                 // s-1
+    { "PHOTO.jclo", { 1.0e-8 } },                   // s-1
+    { "PHOTO.jclono2_a", { 1.0e-8 } },              // s-1
+    { "PHOTO.jclono2_b", { 1.0e-8 } },              // s-1
+    { "PHOTO.jco2", { 1.0e-8 } },                   // s-1
+    { "PHOTO.jcof2", { 1.0e-8 } },                  // s-1
+    { "PHOTO.jcofcl", { 1.0e-8 } },                 // s-1
+    { "PHOTO.jeooh->,jch3ooh", { 1.0e-8 } },        // s-1
+    { "PHOTO.jglyald", { 1.0e-8 } },                // s-1
+    { "PHOTO.jglyoxal->,jmgly", { 1.0e-8 } },       // s-1
+    { "PHOTO.jh2402", { 1.0e-8 } },                 // s-1
+    { "PHOTO.jh2o2", { 1.0e-8 } },                  // s-1
+    { "PHOTO.jh2o_a", { 1.0e-8 } },                 // s-1
+    { "PHOTO.jh2o_b", { 1.0e-8 } },                 // s-1
+    { "PHOTO.jh2o_c", { 1.0e-8 } },                 // s-1
+    { "PHOTO.jh2so4", { 1.0e-8 } },                 // s-1
+    { "PHOTO.jhbr", { 1.0e-8 } },                   // s-1
+    { "PHOTO.jhcfc141b", { 1.0e-8 } },              // s-1
+    { "PHOTO.jhcfc142b", { 1.0e-8 } },              // s-1
+    { "PHOTO.jhcfc22", { 1.0e-8 } },                // s-1
+    { "PHOTO.jhcl", { 1.0e-8 } },                   // s-1
+    { "PHOTO.jhf", { 1.0e-8 } },                    // s-1
+    { "PHOTO.jhno3", { 1.0e-8 } },                  // s-1
+    { "PHOTO.jho2no2_a", { 1.0e-8 } },              // s-1
+    { "PHOTO.jho2no2_b", { 1.0e-8 } },              // s-1
+    { "PHOTO.jhobr", { 1.0e-8 } },                  // s-1
+    { "PHOTO.jhocl", { 1.0e-8 } },                  // s-1
+    { "PHOTO.jhonitr->,jch2o_a", { 1.0e-8 } },      // s-1
+    { "PHOTO.jhpald->,.006*jno2", { 1.0e-8 } },     // s-1
+    { "PHOTO.jhyac", { 1.0e-8 } },                  // s-1
+    { "PHOTO.jisopnooh->,jch3ooh", { 1.0e-8 } },    // s-1
+    { "PHOTO.jisopooh->,jch3ooh", { 1.0e-8 } },     // s-1
+    { "PHOTO.jmacr_a", { 1.0e-8 } },                // s-1
+    { "PHOTO.jmacr_b", { 1.0e-8 } },                // s-1
+    { "PHOTO.jmek->,jacet", { 1.0e-8 } },           // s-1
+    { "PHOTO.jmekooh->,jch3ooh", { 1.0e-8 } },      // s-1
+    { "PHOTO.jmgly", { 1.0e-8 } },                  // s-1
+    { "PHOTO.jmpan->,jpan", { 1.0e-8 } },           // s-1
+    { "PHOTO.jmvk", { 1.0e-8 } },                   // s-1
+    { "PHOTO.jn2o", { 1.0e-8 } },                   // s-1
+    { "PHOTO.jn2o5_a", { 1.0e-8 } },                // s-1
+    { "PHOTO.jn2o5_b", { 1.0e-8 } },                // s-1
+    { "PHOTO.jnc4cho->,jch2o_a", { 1.0e-8 } },      // s-1
+    { "PHOTO.jno2", { 1.0e-8 } },                   // s-1
+    { "PHOTO.jno3_a", { 1.0e-8 } },                 // s-1
+    { "PHOTO.jno3_b", { 1.0e-8 } },                 // s-1
+    { "PHOTO.jno=userdefined,", { 1.0e-8 } },       // s-1
+    { "PHOTO.jnoa->,jch2o_a", { 1.0e-8 } },         // s-1
+    { "PHOTO.jnterpooh->,jch3ooh", { 1.0e-8 } },    // s-1
+    { "PHOTO.jo2_a=userdefined,", { 1.0e-8 } },     // s-1
+    { "PHOTO.jo2_b=userdefined,", { 1.0e-8 } },     // s-1
+    { "PHOTO.jo3_a", { 1.0e-8 } },                  // s-1
+    { "PHOTO.jo3_b", { 1.0e-8 } },                  // s-1
+    { "PHOTO.joclo", { 1.0e-8 } },                  // s-1
+    { "PHOTO.jocs", { 1.0e-8 } },                   // s-1
+    { "PHOTO.jonitr->,jch3cho", { 1.0e-8 } },       // s-1
+    { "PHOTO.jpan", { 1.0e-8 } },                   // s-1
+    { "PHOTO.jphenooh->,jch3ooh", { 1.0e-8 } },     // s-1
+    { "PHOTO.jpooh->,jch3ooh", { 1.0e-8 } },        // s-1
+    { "PHOTO.jrooh->,jch3ooh", { 1.0e-8 } },        // s-1
+    { "PHOTO.jsf6", { 1.0e-8 } },                   // s-1
+    { "PHOTO.jso", { 1.0e-8 } },                    // s-1
+    { "PHOTO.jso2", { 1.0e-8 } },                   // s-1
+    { "PHOTO.jso3", { 1.0e-8 } },                   // s-1
+    { "PHOTO.jsoa1_a1->,.0004*jno2", { 1.0e-8 } },  // s-1
+    { "PHOTO.jsoa1_a2->,.0004*jno2", { 1.0e-8 } },  // s-1
+    { "PHOTO.jsoa2_a1->,.0004*jno2", { 1.0e-8 } },  // s-1
+    { "PHOTO.jsoa2_a2->,.0004*jno2", { 1.0e-8 } },  // s-1
+    { "PHOTO.jsoa3_a1->,.0004*jno2", { 1.0e-8 } },  // s-1
+    { "PHOTO.jsoa3_a2->,.0004*jno2", { 1.0e-8 } },  // s-1
+    { "PHOTO.jsoa4_a1->,.0004*jno2", { 1.0e-8 } },  // s-1
+    { "PHOTO.jsoa4_a2->,.0004*jno2", { 1.0e-8 } },  // s-1
+    { "PHOTO.jsoa5_a1->,.0004*jno2", { 1.0e-8 } },  // s-1
+    { "PHOTO.jsoa5_a2->,.0004*jno2", { 1.0e-8 } },  // s-1
+    { "PHOTO.jtepomuc->,.10*jno2", { 1.0e-8 } },    // s-1
+    { "PHOTO.jterp2ooh->,jch3ooh", { 1.0e-8 } },    // s-1
+    { "PHOTO.jterpnit->,jch3ooh", { 1.0e-8 } },     // s-1
+    { "PHOTO.jterpooh->,jch3ooh", { 1.0e-8 } },     // s-1
+    { "PHOTO.jterprd1->,jch3cho", { 1.0e-8 } },     // s-1
+    { "PHOTO.jterprd2->,jch3cho", { 1.0e-8 } },     // s-1
+    { "PHOTO.jtolooh->,jch3ooh", { 1.0e-8 } },      // s-1
+    { "PHOTO.jxooh->,jch3ooh", { 1.0e-8 } },        // s-1
+    { "PHOTO.jxylenooh->,jch3ooh", { 1.0e-8 } },    // s-1
+    { "PHOTO.jxylolooh->,jch3ooh", { 1.0e-8 } },    // s-1
+    { "USER.het1", { 1.0e-8 } },                    // s-1
+    { "USER.het2", { 1.0e-8 } },                    // s-1
+    { "USER.het3", { 1.0e-8 } },                    // s-1
+    { "USER.het4", { 1.0e-8 } },                    // s-1
+    { "USER.het5", { 1.0e-8 } },                    // s-1
+    { "USER.het6", { 1.0e-8 } },                    // s-1
+    { "USER.het7", { 1.0e-8 } },                    // s-1
+    { "USER.het8", { 1.0e-8 } },                    // s-1
+    { "USER.het9", { 1.0e-8 } },                    // s-1
+    { "USER.het10", { 1.0e-8 } },                   // s-1
+    { "USER.het11", { 1.0e-8 } },                   // s-1
+    { "USER.het12", { 1.0e-8 } },                   // s-1
+    { "USER.het13", { 1.0e-8 } },                   // s-1
+    { "USER.het14", { 1.0e-8 } },                   // s-1
+    { "USER.het15", { 1.0e-8 } },                   // s-1
+    { "USER.het16", { 1.0e-8 } },                   // s-1
+    { "USER.het17", { 1.0e-8 } },                   // s-1
+    { "USER.k_co_oh_jpl19", { 1.0e-8 } }            // s-1
+  };
+  state.SetCustomRateParameters(custom_rate_constants);
+
+  double time_step = 150.0;  // s
+
+  auto result = solver.Solve(time_step, state);
+
+  EXPECT_EQ(result.state_, (micm::SolverState::Converged));
+}
\ No newline at end of file
diff --git a/test/unit/configure/process/CMakeLists.txt b/test/unit/configure/process/CMakeLists.txt
index 437d7f4ac..32a708ce6 100644
--- a/test/unit/configure/process/CMakeLists.txt
+++ b/test/unit/configure/process/CMakeLists.txt
@@ -15,4 +15,4 @@ create_standard_test(NAME surface_config SOURCES test_surface_config.cpp)
 create_standard_test(NAME ternary_chemical_activation_config SOURCES test_ternary_chemical_activation_config.cpp)
 create_standard_test(NAME troe_config SOURCES test_troe_config.cpp)
 create_standard_test(NAME tunneling_config SOURCES test_tunneling_config.cpp)
-
+create_standard_test(NAME user_defined_config SOURCES test_user_defined_config.cpp)
diff --git a/test/unit/configure/process/test_user_defined_config.cpp b/test/unit/configure/process/test_user_defined_config.cpp
new file mode 100644
index 000000000..7f718ec51
--- /dev/null
+++ b/test/unit/configure/process/test_user_defined_config.cpp
@@ -0,0 +1,83 @@
+#include <gtest/gtest.h>
+
+#include <micm/configure/solver_config.hpp>
+
+TEST(UserDefinedConfig, DetectsInvalidConfig)
+{
+  micm::SolverConfig solver_config;
+
+  // Read and parse the configure files
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/user_defined/missing_reactants");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status) << " " << micm::configParseStatusToString(status) << "\n";
+  status = solver_config.ReadAndParse("./unit_configs/process/user_defined/missing_products");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
+  status = solver_config.ReadAndParse("./unit_configs/process/user_defined/missing_MUSICA_name");
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);  
+}
+
+TEST(UserDefinedConfig, ParseConfig)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/user_defined/valid");
+  EXPECT_EQ(micm::ConfigParseStatus::Success, status);
+
+  micm::SolverParameters solver_params = solver_config.GetSolverParams();
+
+  auto& process_vector = solver_params.processes_;
+
+  // first reaction
+  {
+    EXPECT_EQ(process_vector[0].reactants_.size(), 3);
+    EXPECT_EQ(process_vector[0].reactants_[0].name_, "bar");
+    EXPECT_EQ(process_vector[0].reactants_[1].name_, "bar");
+    EXPECT_EQ(process_vector[0].reactants_[2].name_, "foo");
+    EXPECT_EQ(process_vector[0].products_.size(), 2);
+    EXPECT_EQ(process_vector[0].products_[0].first.name_, "baz");
+    EXPECT_EQ(process_vector[0].products_[0].second, 1.4);
+    EXPECT_EQ(process_vector[0].products_[1].first.name_, "foo");
+    EXPECT_EQ(process_vector[0].products_[1].second, 1.0);
+    micm::UserDefinedRateConstant* photo_rate_constant =
+        dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[0].rate_constant_.get());
+    EXPECT_EQ(photo_rate_constant->SizeCustomParameters(), 1);
+    EXPECT_EQ(photo_rate_constant->CustomParameters()[0], "USER.foo");
+  }
+
+  // second reaction
+  {
+    EXPECT_EQ(process_vector[1].reactants_.size(), 2);
+    EXPECT_EQ(process_vector[1].reactants_[0].name_, "foo");
+    EXPECT_EQ(process_vector[1].reactants_[1].name_, "foo");
+    EXPECT_EQ(process_vector[1].products_.size(), 1);
+    EXPECT_EQ(process_vector[1].products_[0].first.name_, "bar");
+    EXPECT_EQ(process_vector[1].products_[0].second, 1.0);
+    micm::UserDefinedRateConstant* photo_rate_constant =
+        dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[1].rate_constant_.get());
+    EXPECT_EQ(photo_rate_constant->SizeCustomParameters(), 1);
+    EXPECT_EQ(photo_rate_constant->CustomParameters()[0], "USER.bar");
+  }  
+}
+
+TEST(PhotolysisConfig, DetectsNonstandardKeys)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/user_defined/contains_nonstandard_key");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(PhotolysisConfig, DetectsNonstandardProductCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/user_defined/nonstandard_product_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
+
+TEST(PhotolysisConfig, DetectsNonstandardReactantCoefficient)
+{
+  micm::SolverConfig solver_config;
+
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/user_defined/nonstandard_reactant_coef");
+  EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
+}
diff --git a/test/unit/unit_configs/process/user_defined/contains_nonstandard_key/config.json b/test/unit/unit_configs/process/user_defined/contains_nonstandard_key/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/contains_nonstandard_key/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/user_defined/contains_nonstandard_key/reactions.json b/test/unit/unit_configs/process/user_defined/contains_nonstandard_key/reactions.json
new file mode 100644
index 000000000..d9001a00c
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/contains_nonstandard_key/reactions.json
@@ -0,0 +1,17 @@
+{
+  "camp-data": [
+    {
+      "name": "nonstandard user-defined reaction",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "USER_DEFINED",
+          "reactants": { },
+          "products": { },
+          "MUSICA name": "foo",
+          "mUSICA name": "foo"
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/user_defined/contains_nonstandard_key/species.json b/test/unit/unit_configs/process/user_defined/contains_nonstandard_key/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/contains_nonstandard_key/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/user_defined/contains_nonstandard_key/tolerance.json b/test/unit/unit_configs/process/user_defined/contains_nonstandard_key/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/contains_nonstandard_key/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/user_defined/missing_MUSICA_name/config.json b/test/unit/unit_configs/process/user_defined/missing_MUSICA_name/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/missing_MUSICA_name/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/user_defined/missing_MUSICA_name/reactions.json b/test/unit/unit_configs/process/user_defined/missing_MUSICA_name/reactions.json
new file mode 100644
index 000000000..8d942f9cc
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/missing_MUSICA_name/reactions.json
@@ -0,0 +1,21 @@
+{
+  "camp-data": [
+    {
+      "name": "User defined reaction missing MUSICA name",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "USER_DEFINED",
+          "reactants": { 
+            "foo" : { },
+            "bar" : { "qty": 2 }
+          },
+          "products": {
+            "baz" : { "yield": 1.4 },
+            "foo" : { }
+          } 
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/user_defined/missing_MUSICA_name/species.json b/test/unit/unit_configs/process/user_defined/missing_MUSICA_name/species.json
new file mode 100644
index 000000000..ec9fb504f
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/missing_MUSICA_name/species.json
@@ -0,0 +1,16 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/user_defined/missing_MUSICA_name/tolerance.json b/test/unit/unit_configs/process/user_defined/missing_MUSICA_name/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/missing_MUSICA_name/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/user_defined/missing_products/config.json b/test/unit/unit_configs/process/user_defined/missing_products/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/missing_products/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/user_defined/missing_products/reactions.json b/test/unit/unit_configs/process/user_defined/missing_products/reactions.json
new file mode 100644
index 000000000..e822232d3
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/missing_products/reactions.json
@@ -0,0 +1,18 @@
+{
+  "camp-data": [
+    {
+      "name": "User defined reaction missing products",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "USER_DEFINED",
+          "MUSICA name" : "foo",
+          "reactants": { 
+            "foo" : { },
+            "bar" : { "qty": 2 }
+          } 
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/user_defined/missing_products/species.json b/test/unit/unit_configs/process/user_defined/missing_products/species.json
new file mode 100644
index 000000000..ec9fb504f
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/missing_products/species.json
@@ -0,0 +1,16 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/user_defined/missing_products/tolerance.json b/test/unit/unit_configs/process/user_defined/missing_products/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/missing_products/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/user_defined/missing_reactants/config.json b/test/unit/unit_configs/process/user_defined/missing_reactants/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/missing_reactants/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/user_defined/missing_reactants/reactions.json b/test/unit/unit_configs/process/user_defined/missing_reactants/reactions.json
new file mode 100644
index 000000000..015f2ee0d
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/missing_reactants/reactions.json
@@ -0,0 +1,18 @@
+{
+  "camp-data": [
+    {
+      "name": "User defined reaction missing products",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "USER_DEFINED",
+          "MUSICA name" : "foo",
+          "products": { 
+            "foo" : { },
+            "bar" : { "yield": 2.2 }
+          } 
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/user_defined/missing_reactants/species.json b/test/unit/unit_configs/process/user_defined/missing_reactants/species.json
new file mode 100644
index 000000000..ec9fb504f
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/missing_reactants/species.json
@@ -0,0 +1,16 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/user_defined/missing_reactants/tolerance.json b/test/unit/unit_configs/process/user_defined/missing_reactants/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/missing_reactants/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/user_defined/nonstandard_product_coef/config.json b/test/unit/unit_configs/process/user_defined/nonstandard_product_coef/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/nonstandard_product_coef/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/user_defined/nonstandard_product_coef/reactions.json b/test/unit/unit_configs/process/user_defined/nonstandard_product_coef/reactions.json
new file mode 100644
index 000000000..e060b434d
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/nonstandard_product_coef/reactions.json
@@ -0,0 +1,21 @@
+{
+  "camp-data": [
+    {
+      "name": "invaild yield name",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "__my comment": {},
+          "type": "USER_DEFINED",
+          "MUSICA name": "foo",
+          "reactants": {
+            "foo" : { }
+          },
+          "products": {
+            "bar": { "Yield": 1.0 }
+          }
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/user_defined/nonstandard_product_coef/species.json b/test/unit/unit_configs/process/user_defined/nonstandard_product_coef/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/nonstandard_product_coef/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/user_defined/nonstandard_product_coef/tolerance.json b/test/unit/unit_configs/process/user_defined/nonstandard_product_coef/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/nonstandard_product_coef/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/user_defined/nonstandard_reactant_coef/config.json b/test/unit/unit_configs/process/user_defined/nonstandard_reactant_coef/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/nonstandard_reactant_coef/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/user_defined/nonstandard_reactant_coef/reactions.json b/test/unit/unit_configs/process/user_defined/nonstandard_reactant_coef/reactions.json
new file mode 100644
index 000000000..82fc9655c
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/nonstandard_reactant_coef/reactions.json
@@ -0,0 +1,21 @@
+{
+  "camp-data": [
+    {
+      "name": "invalid quantity name",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "__my comment": {},
+          "type": "USER_DEFINED",
+          "MUSICA name": "foo",
+          "reactants": {
+            "foo" : { "Qty": 2.0 }
+          },
+          "products": {
+            "bar": {}
+          }
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/user_defined/nonstandard_reactant_coef/species.json b/test/unit/unit_configs/process/user_defined/nonstandard_reactant_coef/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/nonstandard_reactant_coef/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/user_defined/nonstandard_reactant_coef/tolerance.json b/test/unit/unit_configs/process/user_defined/nonstandard_reactant_coef/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/nonstandard_reactant_coef/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/process/user_defined/valid/config.json b/test/unit/unit_configs/process/user_defined/valid/config.json
new file mode 100644
index 000000000..38307636f
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/valid/config.json
@@ -0,0 +1 @@
+{"camp-files": ["species.json", "reactions.json", "tolerance.json"]}
diff --git a/test/unit/unit_configs/process/user_defined/valid/reactions.json b/test/unit/unit_configs/process/user_defined/valid/reactions.json
new file mode 100644
index 000000000..6f057e25d
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/valid/reactions.json
@@ -0,0 +1,33 @@
+{
+  "camp-data": [
+    {
+      "name": "Valid user-defined reaction",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "__my comment": {},
+          "type": "USER_DEFINED",
+          "MUSICA name": "foo",
+          "reactants": { 
+            "foo" : { },
+            "bar" : { "qty": 2 }
+          },
+          "products": {
+            "baz" : { "yield": 1.4 },
+            "foo" : { }
+          } 
+        },
+        {
+          "type": "USER_DEFINED",
+          "MUSICA name": "bar",
+          "reactants": { 
+            "foo" : { "qty": 2 }
+          },
+          "products": {
+            "bar" : { }
+          } 
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/user_defined/valid/species.json b/test/unit/unit_configs/process/user_defined/valid/species.json
new file mode 100644
index 000000000..b7716cf54
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/valid/species.json
@@ -0,0 +1,20 @@
+{
+  "camp-data": [
+    {
+      "name": "foo",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "bar",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "baz",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "quz",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/process/user_defined/valid/tolerance.json b/test/unit/unit_configs/process/user_defined/valid/tolerance.json
new file mode 100644
index 000000000..e652cd46e
--- /dev/null
+++ b/test/unit/unit_configs/process/user_defined/valid/tolerance.json
@@ -0,0 +1,8 @@
+{
+  "camp-data": [
+    {
+      "type": "RELATIVE_TOLERANCE",
+      "value": 1.0e-4
+    }
+  ]
+}

From 5c743c3ea7a08029aa65ebcc5ea63b96ac9fed7d Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Tue, 7 Nov 2023 16:18:59 -0800
Subject: [PATCH 230/318] Auto-format code changes (#346)

Auto-format code using Clang-Format

Co-authored-by: GitHub Actions <actions@github.com>
---
 include/micm/configure/solver_config.hpp            |  8 ++++----
 include/micm/process/process_set.hpp                |  8 ++++----
 .../configure/process/test_user_defined_config.cpp  | 13 ++++++++-----
 3 files changed, 16 insertions(+), 13 deletions(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index a67e85808..05d18ae6a 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -976,7 +976,7 @@ namespace micm
       processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
       return ConfigParseStatus::Success;
-    } 
+    }
 
     /// @brief Search for nonstandard keys. Only nonstandard keys starting with __ are allowed. Others are considered typos
     /// @param object the object whose keys need to be validated
@@ -1032,7 +1032,7 @@ namespace micm
             sorted_object_keys.begin(),
             sorted_object_keys.end(),
             std::back_inserter(missing_keys));
-        for(auto &key : missing_keys)
+        for (auto& key : missing_keys)
           std::cerr << "Missing required key '" << key << "' in object: " << object << std::endl;
 
         return ConfigParseStatus::RequiredKeyNotFound;
@@ -1051,8 +1051,8 @@ namespace micm
       {
         if (!key.starts_with("__"))
         {
-          std::cerr << "Non-standard key '" << key <<"' found in object" << object << std::endl;
-        
+          std::cerr << "Non-standard key '" << key << "' found in object" << object << std::endl;
+
           return ConfigParseStatus::ContainsNonStandardKey;
         }
       }
diff --git a/include/micm/process/process_set.hpp b/include/micm/process/process_set.hpp
index 60309713e..4b06eb9d6 100644
--- a/include/micm/process/process_set.hpp
+++ b/include/micm/process/process_set.hpp
@@ -90,8 +90,8 @@ namespace micm
       {
         if (reactant.IsParameterized())
           continue;  // Skip reactants that are parameterizations
-        if (variable_map.count( reactant.name_ ) < 1)
-          throw std::runtime_error("Reactant '" + reactant.name_ + "' does not exist");   
+        if (variable_map.count(reactant.name_) < 1)
+          throw std::runtime_error("Reactant '" + reactant.name_ + "' does not exist");
         reactant_ids_.push_back(variable_map.at(reactant.name_));
         ++number_of_reactants;
       }
@@ -99,8 +99,8 @@ namespace micm
       {
         if (product.first.IsParameterized())
           continue;  // Skip products that are parameterizations
-        if (variable_map.count( product.first.name_ ) < 1)
-          throw std::runtime_error("Product '" + product.first.name_ + "' does not exist");   
+        if (variable_map.count(product.first.name_) < 1)
+          throw std::runtime_error("Product '" + product.first.name_ + "' does not exist");
         product_ids_.push_back(variable_map.at(product.first.name_));
         yields_.push_back(product.second);
         ++number_of_products;
diff --git a/test/unit/configure/process/test_user_defined_config.cpp b/test/unit/configure/process/test_user_defined_config.cpp
index 7f718ec51..9567bb0e3 100644
--- a/test/unit/configure/process/test_user_defined_config.cpp
+++ b/test/unit/configure/process/test_user_defined_config.cpp
@@ -12,7 +12,7 @@ TEST(UserDefinedConfig, DetectsInvalidConfig)
   status = solver_config.ReadAndParse("./unit_configs/process/user_defined/missing_products");
   EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
   status = solver_config.ReadAndParse("./unit_configs/process/user_defined/missing_MUSICA_name");
-  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);  
+  EXPECT_EQ(micm::ConfigParseStatus::RequiredKeyNotFound, status);
 }
 
 TEST(UserDefinedConfig, ParseConfig)
@@ -55,14 +55,15 @@ TEST(UserDefinedConfig, ParseConfig)
         dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[1].rate_constant_.get());
     EXPECT_EQ(photo_rate_constant->SizeCustomParameters(), 1);
     EXPECT_EQ(photo_rate_constant->CustomParameters()[0], "USER.bar");
-  }  
+  }
 }
 
 TEST(PhotolysisConfig, DetectsNonstandardKeys)
 {
   micm::SolverConfig solver_config;
 
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/user_defined/contains_nonstandard_key");
+  micm::ConfigParseStatus status =
+      solver_config.ReadAndParse("./unit_configs/process/user_defined/contains_nonstandard_key");
   EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
 }
 
@@ -70,7 +71,8 @@ TEST(PhotolysisConfig, DetectsNonstandardProductCoefficient)
 {
   micm::SolverConfig solver_config;
 
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/user_defined/nonstandard_product_coef");
+  micm::ConfigParseStatus status =
+      solver_config.ReadAndParse("./unit_configs/process/user_defined/nonstandard_product_coef");
   EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
 }
 
@@ -78,6 +80,7 @@ TEST(PhotolysisConfig, DetectsNonstandardReactantCoefficient)
 {
   micm::SolverConfig solver_config;
 
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./unit_configs/process/user_defined/nonstandard_reactant_coef");
+  micm::ConfigParseStatus status =
+      solver_config.ReadAndParse("./unit_configs/process/user_defined/nonstandard_reactant_coef");
   EXPECT_EQ(micm::ConfigParseStatus::ContainsNonStandardKey, status);
 }

From e3b05a98be983057afe51542de31518a6e082f7a Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Wed, 8 Nov 2023 14:23:21 -0800
Subject: [PATCH 231/318] Check for unused species in solver constructor (#347)

check for unused species in solver constructor
---
 docker/Dockerfile                             |  2 +-
 include/micm/process/process_set.hpp          | 18 +++++++++++++
 include/micm/solver/rosenbrock.inl            | 13 ++++++++++
 .../solver/rosenbrock_solver_parameters.hpp   |  1 +
 test/integration/chapman.cpp                  | 10 ++++++--
 .../regression/RosenbrockChapman/jit_util.hpp | 25 +++++++++++++++----
 test/regression/RosenbrockChapman/util.hpp    | 25 +++++++++++++++----
 test/unit/process/test_process_set_policy.hpp | 22 ++++++++++++----
 8 files changed, 98 insertions(+), 18 deletions(-)

diff --git a/docker/Dockerfile b/docker/Dockerfile
index 8760be4dc..ab7155ba4 100644
--- a/docker/Dockerfile
+++ b/docker/Dockerfile
@@ -20,7 +20,7 @@ RUN mkdir /build \
         -D CMAKE_BUILD_TYPE=release \
         -D ENABLE_CLANG_TIDY:BOOL=FALSE \
         ../micm \
-      && make install -j
+      && make install -j 8
 
 # now test if we can use the installed files
 RUN cd /micm/test/integration/cmake/find_package \
diff --git a/include/micm/process/process_set.hpp b/include/micm/process/process_set.hpp
index 4b06eb9d6..bcfe85f48 100644
--- a/include/micm/process/process_set.hpp
+++ b/include/micm/process/process_set.hpp
@@ -71,6 +71,11 @@ namespace micm
         const MatrixPolicy<double>& rate_constants,
         const MatrixPolicy<double>& state_variables,
         SparseMatrixPolicy<double>& jacobian) const;
+
+    /// @brief Returns the set of species used in a set of processes
+    /// @param processes The set of processes
+    /// @return The set of species used in the set of processes
+    static std::set<std::string> SpeciesUsed(const std::vector<Process>& processes);
   };
 
   inline ProcessSet::ProcessSet(
@@ -336,4 +341,17 @@ namespace micm
       }
     }
   }
+
+  std::set<std::string> ProcessSet::SpeciesUsed(const std::vector<Process>& processes)
+  {
+    std::set<std::string> used_species;
+    for (auto &process : processes)
+    {
+      for (auto &reactant : process.reactants_)
+        used_species.insert(reactant.name_);
+      for (auto &product : process.products_)
+        used_species.insert(product.first.name_);
+    }
+    return used_species;
+  }
 }  // namespace micm
diff --git a/include/micm/solver/rosenbrock.inl b/include/micm/solver/rosenbrock.inl
index d028c6022..dcf801959 100644
--- a/include/micm/solver/rosenbrock.inl
+++ b/include/micm/solver/rosenbrock.inl
@@ -98,6 +98,19 @@ namespace micm
     std::function<std::string(const std::vector<std::string>& variables, const std::size_t i)> state_reordering;
 
     std::size_t index = 0;
+    auto used_species = ProcessSetPolicy::SpeciesUsed(processes);
+    auto available_species = system.UniqueNames();
+    std::sort(available_species.begin(), available_species.end());
+    std::set<std::string> unused_species;
+    std::set_difference(available_species.begin(), available_species.end(), used_species.begin(), used_species.end(), std::inserter(unused_species, unused_species.begin()));
+    if (unused_species.size() > 0 && !parameters_.ignore_unused_species_)
+    {
+      std::string err_msg = "Unused species in chemical system:";
+      for (auto& species: unused_species)
+        err_msg += " '" + species + "'";
+      err_msg += ". Set solver parameter ignore_unused_species_ to allow unused species in solve.";
+      throw std::runtime_error(err_msg);
+    }
     for (auto& name : system.UniqueNames())
       variable_map[name] = index++;
 
diff --git a/include/micm/solver/rosenbrock_solver_parameters.hpp b/include/micm/solver/rosenbrock_solver_parameters.hpp
index e492bb772..892c18df6 100644
--- a/include/micm/solver/rosenbrock_solver_parameters.hpp
+++ b/include/micm/solver/rosenbrock_solver_parameters.hpp
@@ -57,6 +57,7 @@ namespace micm
     size_t number_of_grid_cells_{ 1 };  // Number of grid cells to solve simultaneously
     bool reorder_state_{ true };        // Reorder state during solver construction to minimize LU fill-in
     bool check_singularity_{ false };   // Check for singular A matrix in linear solve of A x = b
+    bool ignore_unused_species_{ false }; // Allow unused species to be included in state and solve
 
     // Print RosenbrockSolverParameters to console
     void print() const;
diff --git a/test/integration/chapman.cpp b/test/integration/chapman.cpp
index a0c422b9c..4f25c0b81 100644
--- a/test/integration/chapman.cpp
+++ b/test/integration/chapman.cpp
@@ -32,10 +32,13 @@ TEST(ChapmanIntegration, CanBuildChapmanSystemUsingConfig)
   // Get solver parameters ('System', the collection of 'Process')
   micm::SolverParameters solver_params = solverConfig.GetSolverParams();
 
+  auto options = micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters();
+  options.ignore_unused_species_ = true;
+
   micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
     solver_params.system_,
     std::move(solver_params.processes_),
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+    options
   };
 
   micm::State state = solver.GetState();
@@ -126,10 +129,13 @@ TEST(ChapmanIntegration, CanBuildChapmanSystem)
                               .rate_constant(micm::UserDefinedRateConstant({ .label_ = "jO3b" }))
                               .phase(gas_phase);
 
+  auto options = micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters();
+  options.ignore_unused_species_ = true;
+
   micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
     micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
     std::vector<micm::Process>{ r1, r2, r3, r4, photo_1, photo_2, photo_3 },
-    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+    options
   };
 
   auto state = solver.GetState();
diff --git a/test/regression/RosenbrockChapman/jit_util.hpp b/test/regression/RosenbrockChapman/jit_util.hpp
index c1da846d5..b9d917f4c 100644
--- a/test/regression/RosenbrockChapman/jit_util.hpp
+++ b/test/regression/RosenbrockChapman/jit_util.hpp
@@ -15,6 +15,9 @@ getTwoStageMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
 
+  auto options = micm::RosenbrockSolverParameters::two_stage_rosenbrock_parameters(number_of_grid_cells);
+  options.ignore_unused_species_ = true;
+
   auto jit{ micm::JitCompiler::create() };
   if (auto err = jit.takeError())
   {
@@ -25,7 +28,7 @@ getTwoStageMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
       jit.get(),
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
-      micm::RosenbrockSolverParameters::two_stage_rosenbrock_parameters(number_of_grid_cells));
+      options);
 }
 
 template<
@@ -41,6 +44,9 @@ getThreeStageMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
 
+  auto options = micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells);
+  options.ignore_unused_species_ = true;
+
   auto jit{ micm::JitCompiler::create() };
   if (auto err = jit.takeError())
   {
@@ -51,7 +57,7 @@ getThreeStageMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
       jit.get(),
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
-      micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells));
+      options);
 }
 
 template<
@@ -67,6 +73,9 @@ getFourStageMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
 
+  auto options = micm::RosenbrockSolverParameters::four_stage_rosenbrock_parameters(number_of_grid_cells);
+  options.ignore_unused_species_ = true;
+
   auto jit{ micm::JitCompiler::create() };
   if (auto err = jit.takeError())
   {
@@ -77,7 +86,7 @@ getFourStageMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
       jit.get(),
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
-      micm::RosenbrockSolverParameters::four_stage_rosenbrock_parameters(number_of_grid_cells));
+      options);
 }
 
 template<
@@ -93,6 +102,9 @@ getFourStageDAMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
 
+  auto options = micm::RosenbrockSolverParameters::four_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells);
+  options.ignore_unused_species_ = true;
+
   auto jit{ micm::JitCompiler::create() };
   if (auto err = jit.takeError())
   {
@@ -103,7 +115,7 @@ getFourStageDAMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
       jit.get(),
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
-      micm::RosenbrockSolverParameters::four_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells));
+      options);
 }
 
 template<
@@ -119,6 +131,9 @@ getSixStageDAMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
 
+  auto options = micm::RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells);
+  options.ignore_unused_species_ = true;
+
   auto jit{ micm::JitCompiler::create() };
   if (auto err = jit.takeError())
   {
@@ -129,5 +144,5 @@ getSixStageDAMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
       jit.get(),
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
-      micm::RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells));
+      options);
 }
\ No newline at end of file
diff --git a/test/regression/RosenbrockChapman/util.hpp b/test/regression/RosenbrockChapman/util.hpp
index 31c942316..8c314e48f 100644
--- a/test/regression/RosenbrockChapman/util.hpp
+++ b/test/regression/RosenbrockChapman/util.hpp
@@ -88,10 +88,13 @@ micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> get
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
 
+  auto options = micm::RosenbrockSolverParameters::two_stage_rosenbrock_parameters(number_of_grid_cells);
+  options.ignore_unused_species_ = true;
+
   return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
-      micm::RosenbrockSolverParameters::two_stage_rosenbrock_parameters(number_of_grid_cells));
+      options);
 }
 
 template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
@@ -101,10 +104,13 @@ micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> get
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
 
+  auto options = micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells);
+  options.ignore_unused_species_ = true;
+
   return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
-      micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells));
+      options);
 }
 
 template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
@@ -114,10 +120,13 @@ micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> get
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
 
+  auto options = micm::RosenbrockSolverParameters::four_stage_rosenbrock_parameters(number_of_grid_cells);
+  options.ignore_unused_species_ = true;
+
   return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
-      micm::RosenbrockSolverParameters::four_stage_rosenbrock_parameters(number_of_grid_cells));
+      options);
 }
 
 template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
@@ -127,10 +136,13 @@ micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> get
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
 
+  auto options = micm::RosenbrockSolverParameters::four_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells);
+  options.ignore_unused_species_ = true;
+
   return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
-      micm::RosenbrockSolverParameters::four_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells));
+      options);
 }
 
 template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
@@ -140,8 +152,11 @@ micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> get
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
 
+  auto options = micm::RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells);
+  options.ignore_unused_species_ = true;
+
   return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
       micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
       std::move(processes),
-      micm::RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells));
+      options);
 }
\ No newline at end of file
diff --git a/test/unit/process/test_process_set_policy.hpp b/test/unit/process/test_process_set_policy.hpp
index f9d2fc66d..34b323a27 100644
--- a/test/unit/process/test_process_set_policy.hpp
+++ b/test/unit/process/test_process_set_policy.hpp
@@ -23,12 +23,13 @@ void testProcessSet(const std::function<ProcessSetPolicy(
   auto quz = micm::Species("quz");
   auto quuz = micm::Species("quuz");
   auto qux = micm::Species("qux");
+  auto corge = micm::Species("corge");
   qux.parameterize_ = [](const micm::Conditions& c) { return c.air_density_ * 0.72; };
 
-  micm::Phase gas_phase{ std::vector<micm::Species>{ foo, bar, qux, baz, quz, quuz } };
+  micm::Phase gas_phase{ std::vector<micm::Species>{ foo, bar, qux, baz, quz, quuz, corge } };
 
   micm::State<MatrixPolicy, SparseMatrixPolicy> state(micm::StateParameters{
-      .number_of_grid_cells_ = 2, .number_of_rate_constants_ = 3, .variable_names_{ "foo", "bar", "baz", "quz", "quuz" } });
+      .number_of_grid_cells_ = 2, .number_of_rate_constants_ = 3, .variable_names_{ "foo", "bar", "baz", "quz", "quuz", "corge" } });
 
   micm::Process r1 =
       micm::Process::create().reactants({ foo, baz }).products({ yields(bar, 1), yields(quuz, 2.4) }).phase(gas_phase);
@@ -38,12 +39,23 @@ void testProcessSet(const std::function<ProcessSetPolicy(
 
   micm::Process r3 = micm::Process::create().reactants({ quz }).products({}).phase(gas_phase);
 
+  auto used_species = ProcessSetPolicy::SpeciesUsed(std::vector<micm::Process>{ r1, r2, r3 });
+
+  EXPECT_EQ(used_species.size(), 6);
+  EXPECT_TRUE(used_species.contains("foo"));
+  EXPECT_TRUE(used_species.contains("bar"));
+  EXPECT_TRUE(used_species.contains("baz"));
+  EXPECT_TRUE(used_species.contains("quz"));
+  EXPECT_TRUE(used_species.contains("quuz"));
+  EXPECT_TRUE(used_species.contains("qux"));
+  EXPECT_FALSE(used_species.contains("corge"));
+
   ProcessSetPolicy set = create_set(std::vector<micm::Process>{ r1, r2, r3 }, state);
 
   EXPECT_EQ(state.variables_.size(), 2);
-  EXPECT_EQ(state.variables_[0].size(), 5);
-  state.variables_[0] = { 0.1, 0.2, 0.3, 0.4, 0.5 };
-  state.variables_[1] = { 1.1, 1.2, 1.3, 1.4, 1.5 };
+  EXPECT_EQ(state.variables_[0].size(), 6);
+  state.variables_[0] = { 0.1, 0.2, 0.3, 0.4, 0.5, 0.0 };
+  state.variables_[1] = { 1.1, 1.2, 1.3, 1.4, 1.5, 0.0 };
   MatrixPolicy<double> rate_constants{ 2, 3 };
   rate_constants[0] = { 10.0, 20.0, 30.0 };
   rate_constants[1] = { 110.0, 120.0, 130.0 };

From b68af0fcf1f6151a9af72930b19c3c9b4ba59ed6 Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Wed, 8 Nov 2023 14:39:47 -0800
Subject: [PATCH 232/318] Auto-format code changes (#348)

Auto-format code using Clang-Format

Co-authored-by: GitHub Actions <actions@github.com>
---
 include/micm/process/process_set.hpp          |  6 ++--
 .../solver/rosenbrock_solver_parameters.hpp   |  8 ++---
 test/integration/chapman.cpp                  |  8 ++---
 .../regression/RosenbrockChapman/jit_util.hpp | 31 ++++++-------------
 test/regression/RosenbrockChapman/util.hpp    | 26 ++++++----------
 test/unit/process/test_process_set_policy.hpp |  6 ++--
 6 files changed, 32 insertions(+), 53 deletions(-)

diff --git a/include/micm/process/process_set.hpp b/include/micm/process/process_set.hpp
index bcfe85f48..db1250a68 100644
--- a/include/micm/process/process_set.hpp
+++ b/include/micm/process/process_set.hpp
@@ -345,11 +345,11 @@ namespace micm
   std::set<std::string> ProcessSet::SpeciesUsed(const std::vector<Process>& processes)
   {
     std::set<std::string> used_species;
-    for (auto &process : processes)
+    for (auto& process : processes)
     {
-      for (auto &reactant : process.reactants_)
+      for (auto& reactant : process.reactants_)
         used_species.insert(reactant.name_);
-      for (auto &product : process.products_)
+      for (auto& product : process.products_)
         used_species.insert(product.first.name_);
     }
     return used_species;
diff --git a/include/micm/solver/rosenbrock_solver_parameters.hpp b/include/micm/solver/rosenbrock_solver_parameters.hpp
index 892c18df6..2b00af10f 100644
--- a/include/micm/solver/rosenbrock_solver_parameters.hpp
+++ b/include/micm/solver/rosenbrock_solver_parameters.hpp
@@ -54,10 +54,10 @@ namespace micm
     double absolute_tolerance_{ 1e-3 };
     double relative_tolerance_{ 1e-4 };
 
-    size_t number_of_grid_cells_{ 1 };  // Number of grid cells to solve simultaneously
-    bool reorder_state_{ true };        // Reorder state during solver construction to minimize LU fill-in
-    bool check_singularity_{ false };   // Check for singular A matrix in linear solve of A x = b
-    bool ignore_unused_species_{ false }; // Allow unused species to be included in state and solve
+    size_t number_of_grid_cells_{ 1 };     // Number of grid cells to solve simultaneously
+    bool reorder_state_{ true };           // Reorder state during solver construction to minimize LU fill-in
+    bool check_singularity_{ false };      // Check for singular A matrix in linear solve of A x = b
+    bool ignore_unused_species_{ false };  // Allow unused species to be included in state and solve
 
     // Print RosenbrockSolverParameters to console
     void print() const;
diff --git a/test/integration/chapman.cpp b/test/integration/chapman.cpp
index 4f25c0b81..c869caa36 100644
--- a/test/integration/chapman.cpp
+++ b/test/integration/chapman.cpp
@@ -35,11 +35,9 @@ TEST(ChapmanIntegration, CanBuildChapmanSystemUsingConfig)
   auto options = micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters();
   options.ignore_unused_species_ = true;
 
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{
-    solver_params.system_,
-    std::move(solver_params.processes_),
-    options
-  };
+  micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest> solver{ solver_params.system_,
+                                                                 std::move(solver_params.processes_),
+                                                                 options };
 
   micm::State state = solver.GetState();
 
diff --git a/test/regression/RosenbrockChapman/jit_util.hpp b/test/regression/RosenbrockChapman/jit_util.hpp
index b9d917f4c..ad0bdd710 100644
--- a/test/regression/RosenbrockChapman/jit_util.hpp
+++ b/test/regression/RosenbrockChapman/jit_util.hpp
@@ -25,10 +25,7 @@ getTwoStageMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
     EXPECT_TRUE(false);
   }
   return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>(
-      jit.get(),
-      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-      std::move(processes),
-      options);
+      jit.get(), micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::move(processes), options);
 }
 
 template<
@@ -54,10 +51,7 @@ getThreeStageMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
     EXPECT_TRUE(false);
   }
   return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>(
-      jit.get(),
-      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-      std::move(processes),
-      options);
+      jit.get(), micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::move(processes), options);
 }
 
 template<
@@ -83,10 +77,7 @@ getFourStageMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
     EXPECT_TRUE(false);
   }
   return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>(
-      jit.get(),
-      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-      std::move(processes),
-      options);
+      jit.get(), micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::move(processes), options);
 }
 
 template<
@@ -102,7 +93,8 @@ getFourStageDAMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
 
-  auto options = micm::RosenbrockSolverParameters::four_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells);
+  auto options =
+      micm::RosenbrockSolverParameters::four_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells);
   options.ignore_unused_species_ = true;
 
   auto jit{ micm::JitCompiler::create() };
@@ -112,10 +104,7 @@ getFourStageDAMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
     EXPECT_TRUE(false);
   }
   return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>(
-      jit.get(),
-      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-      std::move(processes),
-      options);
+      jit.get(), micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::move(processes), options);
 }
 
 template<
@@ -131,7 +120,8 @@ getSixStageDAMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
 
-  auto options = micm::RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells);
+  auto options =
+      micm::RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells);
   options.ignore_unused_species_ = true;
 
   auto jit{ micm::JitCompiler::create() };
@@ -141,8 +131,5 @@ getSixStageDAMultiCellJitChapmanSolver(const size_t number_of_grid_cells)
     EXPECT_TRUE(false);
   }
   return micm::JitRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>(
-      jit.get(),
-      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-      std::move(processes),
-      options);
+      jit.get(), micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::move(processes), options);
 }
\ No newline at end of file
diff --git a/test/regression/RosenbrockChapman/util.hpp b/test/regression/RosenbrockChapman/util.hpp
index 8c314e48f..179e1500e 100644
--- a/test/regression/RosenbrockChapman/util.hpp
+++ b/test/regression/RosenbrockChapman/util.hpp
@@ -92,9 +92,7 @@ micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> get
   options.ignore_unused_species_ = true;
 
   return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
-      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-      std::move(processes),
-      options);
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::move(processes), options);
 }
 
 template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
@@ -108,9 +106,7 @@ micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> get
   options.ignore_unused_species_ = true;
 
   return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
-      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-      std::move(processes),
-      options);
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::move(processes), options);
 }
 
 template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
@@ -124,9 +120,7 @@ micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> get
   options.ignore_unused_species_ = true;
 
   return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
-      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-      std::move(processes),
-      options);
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::move(processes), options);
 }
 
 template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
@@ -136,13 +130,12 @@ micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> get
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
 
-  auto options = micm::RosenbrockSolverParameters::four_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells);
+  auto options =
+      micm::RosenbrockSolverParameters::four_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells);
   options.ignore_unused_species_ = true;
 
   return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
-      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-      std::move(processes),
-      options);
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::move(processes), options);
 }
 
 template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
@@ -152,11 +145,10 @@ micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy> get
   micm::Phase gas_phase = createGasPhase();
   std::vector<micm::Process> processes = createProcesses(gas_phase);
 
-  auto options = micm::RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells);
+  auto options =
+      micm::RosenbrockSolverParameters::six_stage_differential_algebraic_rosenbrock_parameters(number_of_grid_cells);
   options.ignore_unused_species_ = true;
 
   return micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>(
-      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
-      std::move(processes),
-      options);
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }), std::move(processes), options);
 }
\ No newline at end of file
diff --git a/test/unit/process/test_process_set_policy.hpp b/test/unit/process/test_process_set_policy.hpp
index 34b323a27..85643226f 100644
--- a/test/unit/process/test_process_set_policy.hpp
+++ b/test/unit/process/test_process_set_policy.hpp
@@ -28,8 +28,10 @@ void testProcessSet(const std::function<ProcessSetPolicy(
 
   micm::Phase gas_phase{ std::vector<micm::Species>{ foo, bar, qux, baz, quz, quuz, corge } };
 
-  micm::State<MatrixPolicy, SparseMatrixPolicy> state(micm::StateParameters{
-      .number_of_grid_cells_ = 2, .number_of_rate_constants_ = 3, .variable_names_{ "foo", "bar", "baz", "quz", "quuz", "corge" } });
+  micm::State<MatrixPolicy, SparseMatrixPolicy> state(
+      micm::StateParameters{ .number_of_grid_cells_ = 2,
+                             .number_of_rate_constants_ = 3,
+                             .variable_names_{ "foo", "bar", "baz", "quz", "quuz", "corge" } });
 
   micm::Process r1 =
       micm::Process::create().reactants({ foo, baz }).products({ yields(bar, 1), yields(quuz, 2.4) }).phase(gas_phase);

From eb7a3fecefdc215babdb230996d36d3b49874a05 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Fri, 10 Nov 2023 10:45:33 -0800
Subject: [PATCH 233/318] add scaling factor to user-defined rate constant

---
 .../process/user_defined_rate_constant.hpp     |  4 +++-
 .../test_user_defined_rate_constant.cpp        | 18 ++++++++++++++++++
 2 files changed, 21 insertions(+), 1 deletion(-)

diff --git a/include/micm/process/user_defined_rate_constant.hpp b/include/micm/process/user_defined_rate_constant.hpp
index 02130da45..69c2c44a6 100644
--- a/include/micm/process/user_defined_rate_constant.hpp
+++ b/include/micm/process/user_defined_rate_constant.hpp
@@ -12,6 +12,8 @@ namespace micm
   {
     /// @brief Label for the reaction used to identify user-defined parameters
     std::string label_;
+    /// @brief Scaling factor to apply to user-provided rate constants
+    double scaling_factor_{ 1.0 };
   };
 
   /// @brief A photolysis rate constant
@@ -75,7 +77,7 @@ namespace micm
       const Conditions& conditions,
       std::vector<double>::const_iterator custom_parameters) const
   {
-    return (double)*custom_parameters;
+    return (double)*custom_parameters * parameters_.scaling_factor_;
   }
 
   inline std::vector<std::string> UserDefinedRateConstant::CustomParameters() const
diff --git a/test/unit/process/test_user_defined_rate_constant.cpp b/test/unit/process/test_user_defined_rate_constant.cpp
index 50e30e26b..6e32fac0a 100644
--- a/test/unit/process/test_user_defined_rate_constant.cpp
+++ b/test/unit/process/test_user_defined_rate_constant.cpp
@@ -57,3 +57,21 @@ TEST(UserDefinedRateConstant, ConstructorWithRateAndName)
   EXPECT_EQ(k, 1.1);
   EXPECT_EQ(photo.CustomParameters()[0], "a name");
 }
+
+TEST(UserDefinedRateConstant, CustomScalingFactor)
+{
+  auto state_parameters = micm::StateParameters{
+    .number_of_grid_cells_ = 1,
+    .number_of_rate_constants_ = 1,
+    .variable_names_ = {"user"},
+    .custom_rate_parameter_labels_ = { "my rate", },
+  };
+
+  micm::State state{ state_parameters };
+  state.custom_rate_parameters_[0][0] = 1.2;
+  std::vector<double>::const_iterator params = state.custom_rate_parameters_[0].begin();
+  micm::UserDefinedRateConstant photo({ .label_ = "a name", .scaling_factor_ = 2.0 });
+  auto k = photo.calculate(state.conditions_[0], params);
+  EXPECT_EQ(k, 1.2 * 2.0);
+  EXPECT_EQ(photo.CustomParameters()[0], "a name");
+}

From f62515c823f4178e614b9f27970a80d65dff4c2b Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Fri, 10 Nov 2023 11:52:32 -0800
Subject: [PATCH 234/318] add scaling factor to user-defined rate constant
 configurations

---
 include/micm/configure/solver_config.hpp      | 38 +++++++++----------
 .../micm/process/arrhenius_rate_constant.hpp  |  1 -
 .../micm/process/branched_rate_constant.hpp   |  1 -
 .../micm/process/surface_rate_constant.hpp    |  1 -
 ...nary_chemical_activation_rate_constant.hpp |  1 -
 include/micm/process/troe_rate_constant.hpp   |  1 -
 .../micm/process/tunneling_rate_constant.hpp  |  1 -
 .../process/user_defined_rate_constant.hpp    |  2 +-
 .../process/test_emission_config.cpp          |  2 +
 .../process/test_first_order_loss_config.cpp  |  2 +
 .../process/test_photolysis_config.cpp        |  2 +
 .../process/test_user_defined_config.cpp      |  2 +
 .../process/emission/valid/reactions.json     |  3 +-
 .../first_order_loss/valid/reactions.json     |  3 +-
 .../process/photolysis/valid/reactions.json   |  3 +-
 .../process/user_defined/valid/reactions.json |  3 +-
 16 files changed, 36 insertions(+), 30 deletions(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 05d18ae6a..1d37eab13 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -458,7 +458,7 @@ namespace micm
       const std::string REACTANTS = "reactants";
       const std::string PRODUCTS = "products";
       const std::string MUSICA_NAME = "MUSICA name";
-      const std::string SCALING_FACTOR = "scaling_factor";
+      const std::string SCALING_FACTOR = "scaling factor";
 
       auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, { SCALING_FACTOR });
       if (status != ConfigParseStatus::Success)
@@ -479,17 +479,14 @@ namespace micm
         return products.first;
       }
 
-      if (object.contains(SCALING_FACTOR))
-      {
-        std::cerr << "Scaling factor supplied to photolysis rate. This is not yet implemented." << std::endl;
-      }
+      double scaling_factor = object.contains(SCALING_FACTOR) ? object[SCALING_FACTOR].get<double>() : 1.0;
 
       std::string name = "PHOTO." + object[MUSICA_NAME].get<std::string>();
 
-      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
+      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name, .scaling_factor_ = scaling_factor }));
 
       std::unique_ptr<UserDefinedRateConstant> rate_ptr =
-          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
+          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name, .scaling_factor_ = scaling_factor });
       processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
       return ConfigParseStatus::Success;
@@ -835,17 +832,14 @@ namespace micm
                   << std::endl;
       }
 
-      if (object.contains(SCALING_FACTOR))
-      {
-        std::cerr << "Scaling factor supplied to emission rate. This is not yet implemented." << std::endl;
-      }
+      double scaling_factor = object.contains(SCALING_FACTOR) ? object[SCALING_FACTOR].get<double>() : 1.0;
 
       std::string name = "EMIS." + object[MUSICA_NAME].get<std::string>();
 
-      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
+      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name, .scaling_factor_ = scaling_factor }));
 
       std::unique_ptr<UserDefinedRateConstant> rate_ptr =
-          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
+          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name, .scaling_factor_ = scaling_factor });
       processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
       return ConfigParseStatus::Success;
@@ -855,8 +849,9 @@ namespace micm
     {
       const std::string SPECIES = "species";
       const std::string MUSICA_NAME = "MUSICA name";
+      const std::string SCALING_FACTOR = "scaling factor";
 
-      auto status = ValidateSchema(object, { "type", SPECIES, MUSICA_NAME }, {});
+      auto status = ValidateSchema(object, { "type", SPECIES, MUSICA_NAME }, { SCALING_FACTOR });
       if (status != ConfigParseStatus::Success)
       {
         return status;
@@ -877,12 +872,14 @@ namespace micm
         return products.first;
       }
 
+      double scaling_factor = object.contains(SCALING_FACTOR) ? object[SCALING_FACTOR].get<double>() : 1.0;
+      
       std::string name = "LOSS." + object[MUSICA_NAME].get<std::string>();
 
-      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
+      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name, .scaling_factor_ = scaling_factor }));
 
       std::unique_ptr<UserDefinedRateConstant> rate_ptr =
-          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
+          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name, .scaling_factor_ = scaling_factor });
       processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
       return ConfigParseStatus::Success;
@@ -893,8 +890,9 @@ namespace micm
       const std::string REACTANTS = "reactants";
       const std::string PRODUCTS = "products";
       const std::string MUSICA_NAME = "MUSICA name";
+      const std::string SCALING_FACTOR = "scaling factor";
 
-      auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, {});
+      auto status = ValidateSchema(object, { "type", REACTANTS, PRODUCTS, MUSICA_NAME }, { SCALING_FACTOR });
       if (status != ConfigParseStatus::Success)
       {
         return status;
@@ -912,12 +910,14 @@ namespace micm
         return products.first;
       }
 
+      double scaling_factor = object.contains(SCALING_FACTOR) ? object[SCALING_FACTOR].get<double>() : 1.0;
+      
       std::string name = "USER." + object[MUSICA_NAME].get<std::string>();
 
-      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name }));
+      user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name, .scaling_factor_ = scaling_factor }));
 
       std::unique_ptr<UserDefinedRateConstant> rate_ptr =
-          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name });
+          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name, .scaling_factor_ = scaling_factor });
       processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
       return ConfigParseStatus::Success;
diff --git a/include/micm/process/arrhenius_rate_constant.hpp b/include/micm/process/arrhenius_rate_constant.hpp
index e680903c1..ca9f7b667 100644
--- a/include/micm/process/arrhenius_rate_constant.hpp
+++ b/include/micm/process/arrhenius_rate_constant.hpp
@@ -29,7 +29,6 @@ namespace micm
    public:
     const ArrheniusRateConstantParameters parameters_;
 
-   public:
     /// @brief Default constructor
     ArrheniusRateConstant();
 
diff --git a/include/micm/process/branched_rate_constant.hpp b/include/micm/process/branched_rate_constant.hpp
index 8291bd7dc..bbb0738b8 100644
--- a/include/micm/process/branched_rate_constant.hpp
+++ b/include/micm/process/branched_rate_constant.hpp
@@ -37,7 +37,6 @@ namespace micm
     const double k0_;
     const double z_;
 
-   public:
     /// @brief Default constructor
     BranchedRateConstant();
 
diff --git a/include/micm/process/surface_rate_constant.hpp b/include/micm/process/surface_rate_constant.hpp
index 714b7fbd7..a72786504 100644
--- a/include/micm/process/surface_rate_constant.hpp
+++ b/include/micm/process/surface_rate_constant.hpp
@@ -33,7 +33,6 @@ namespace micm
     double diffusion_coefficient_;   // [m2 s-1]
     double mean_free_speed_factor_;  // 8 * gas_constant / ( pi * molecular_weight )  [K-1]
 
-   public:
     /// @brief
     /// @param name A name for this reaction
     SurfaceRateConstant(const SurfaceRateConstantParameters& parameters);
diff --git a/include/micm/process/ternary_chemical_activation_rate_constant.hpp b/include/micm/process/ternary_chemical_activation_rate_constant.hpp
index afd80844f..f20a225d0 100644
--- a/include/micm/process/ternary_chemical_activation_rate_constant.hpp
+++ b/include/micm/process/ternary_chemical_activation_rate_constant.hpp
@@ -35,7 +35,6 @@ namespace micm
    public:
     const TernaryChemicalActivationRateConstantParameters parameters_;
 
-   public:
     /// @brief Default constructor
     TernaryChemicalActivationRateConstant();
 
diff --git a/include/micm/process/troe_rate_constant.hpp b/include/micm/process/troe_rate_constant.hpp
index f721720f6..bc1fbccf3 100644
--- a/include/micm/process/troe_rate_constant.hpp
+++ b/include/micm/process/troe_rate_constant.hpp
@@ -35,7 +35,6 @@ namespace micm
    public:
     const TroeRateConstantParameters parameters_;
 
-   public:
     /// @brief Default constructor
     TroeRateConstant();
 
diff --git a/include/micm/process/tunneling_rate_constant.hpp b/include/micm/process/tunneling_rate_constant.hpp
index deab180c8..0b07bae52 100644
--- a/include/micm/process/tunneling_rate_constant.hpp
+++ b/include/micm/process/tunneling_rate_constant.hpp
@@ -25,7 +25,6 @@ namespace micm
    public:
     const TunnelingRateConstantParameters parameters_;
 
-   public:
     /// @brief Default constructor
     TunnelingRateConstant();
 
diff --git a/include/micm/process/user_defined_rate_constant.hpp b/include/micm/process/user_defined_rate_constant.hpp
index 69c2c44a6..fbaf1475f 100644
--- a/include/micm/process/user_defined_rate_constant.hpp
+++ b/include/micm/process/user_defined_rate_constant.hpp
@@ -19,9 +19,9 @@ namespace micm
   /// @brief A photolysis rate constant
   class UserDefinedRateConstant : public RateConstant
   {
+   public:
     UserDefinedRateConstantParameters parameters_;
 
-   public:
     /// @brief Default constructor.
     UserDefinedRateConstant();
 
diff --git a/test/unit/configure/process/test_emission_config.cpp b/test/unit/configure/process/test_emission_config.cpp
index 949f41f2f..77581166f 100644
--- a/test/unit/configure/process/test_emission_config.cpp
+++ b/test/unit/configure/process/test_emission_config.cpp
@@ -34,6 +34,7 @@ TEST(EmissionConfig, ParseConfig)
         dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[0].rate_constant_.get());
     EXPECT_EQ(emission_rate_constant->SizeCustomParameters(), 1);
     EXPECT_EQ(emission_rate_constant->CustomParameters()[0], "EMIS.foo");
+    EXPECT_EQ(emission_rate_constant->parameters_.scaling_factor_, 1.0);
   }
 
   // second reaction
@@ -46,6 +47,7 @@ TEST(EmissionConfig, ParseConfig)
         dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[1].rate_constant_.get());
     EXPECT_EQ(emission_rate_constant->SizeCustomParameters(), 1);
     EXPECT_EQ(emission_rate_constant->CustomParameters()[0], "EMIS.bar");
+    EXPECT_EQ(emission_rate_constant->parameters_.scaling_factor_, 2.5);
   }
 }
 
diff --git a/test/unit/configure/process/test_first_order_loss_config.cpp b/test/unit/configure/process/test_first_order_loss_config.cpp
index 0046ea7a0..eca0ad082 100644
--- a/test/unit/configure/process/test_first_order_loss_config.cpp
+++ b/test/unit/configure/process/test_first_order_loss_config.cpp
@@ -33,6 +33,7 @@ TEST(FirstOrderLossConfig, ParseConfig)
         dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[0].rate_constant_.get());
     EXPECT_EQ(first_order_loss_rate_constant->SizeCustomParameters(), 1);
     EXPECT_EQ(first_order_loss_rate_constant->CustomParameters()[0], "LOSS.foo");
+    EXPECT_EQ(first_order_loss_rate_constant->parameters_.scaling_factor_, 1.0);
   }
 
   // second reaction
@@ -44,6 +45,7 @@ TEST(FirstOrderLossConfig, ParseConfig)
         dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[1].rate_constant_.get());
     EXPECT_EQ(first_order_loss_rate_constant->SizeCustomParameters(), 1);
     EXPECT_EQ(first_order_loss_rate_constant->CustomParameters()[0], "LOSS.bar");
+    EXPECT_EQ(first_order_loss_rate_constant->parameters_.scaling_factor_, 2.5);
   }
 }
 
diff --git a/test/unit/configure/process/test_photolysis_config.cpp b/test/unit/configure/process/test_photolysis_config.cpp
index 1e8831d9f..75acd3e51 100644
--- a/test/unit/configure/process/test_photolysis_config.cpp
+++ b/test/unit/configure/process/test_photolysis_config.cpp
@@ -39,6 +39,7 @@ TEST(PhotolysisConfig, ParseConfig)
         dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[0].rate_constant_.get());
     EXPECT_EQ(photo_rate_constant->SizeCustomParameters(), 1);
     EXPECT_EQ(photo_rate_constant->CustomParameters()[0], "PHOTO.jfoo");
+    EXPECT_EQ(photo_rate_constant->parameters_.scaling_factor_, 1.0);
   }
 
   // second reaction
@@ -54,6 +55,7 @@ TEST(PhotolysisConfig, ParseConfig)
         dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[1].rate_constant_.get());
     EXPECT_EQ(photo_rate_constant->SizeCustomParameters(), 1);
     EXPECT_EQ(photo_rate_constant->CustomParameters()[0], "PHOTO.jbar");
+    EXPECT_EQ(photo_rate_constant->parameters_.scaling_factor_, 2.5);
   }
 }
 
diff --git a/test/unit/configure/process/test_user_defined_config.cpp b/test/unit/configure/process/test_user_defined_config.cpp
index 9567bb0e3..9135a2f27 100644
--- a/test/unit/configure/process/test_user_defined_config.cpp
+++ b/test/unit/configure/process/test_user_defined_config.cpp
@@ -41,6 +41,7 @@ TEST(UserDefinedConfig, ParseConfig)
         dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[0].rate_constant_.get());
     EXPECT_EQ(photo_rate_constant->SizeCustomParameters(), 1);
     EXPECT_EQ(photo_rate_constant->CustomParameters()[0], "USER.foo");
+    EXPECT_EQ(photo_rate_constant->parameters_.scaling_factor_, 1.0);
   }
 
   // second reaction
@@ -55,6 +56,7 @@ TEST(UserDefinedConfig, ParseConfig)
         dynamic_cast<micm::UserDefinedRateConstant*>(process_vector[1].rate_constant_.get());
     EXPECT_EQ(photo_rate_constant->SizeCustomParameters(), 1);
     EXPECT_EQ(photo_rate_constant->CustomParameters()[0], "USER.bar");
+    EXPECT_EQ(photo_rate_constant->parameters_.scaling_factor_, 2.5);
   }
 }
 
diff --git a/test/unit/unit_configs/process/emission/valid/reactions.json b/test/unit/unit_configs/process/emission/valid/reactions.json
index 6320878e5..936ffef60 100644
--- a/test/unit/unit_configs/process/emission/valid/reactions.json
+++ b/test/unit/unit_configs/process/emission/valid/reactions.json
@@ -13,7 +13,8 @@
         {
           "type": "EMISSION",
           "species": "bar",
-          "MUSICA name": "bar"
+          "MUSICA name": "bar",
+          "scaling factor": 2.5
         }
       ]
     }
diff --git a/test/unit/unit_configs/process/first_order_loss/valid/reactions.json b/test/unit/unit_configs/process/first_order_loss/valid/reactions.json
index 7d5cb807d..031a6a1c2 100644
--- a/test/unit/unit_configs/process/first_order_loss/valid/reactions.json
+++ b/test/unit/unit_configs/process/first_order_loss/valid/reactions.json
@@ -13,7 +13,8 @@
         {
           "type": "FIRST_ORDER_LOSS",
           "species": "bar",
-          "MUSICA name": "bar"
+          "MUSICA name": "bar",
+          "scaling factor": 2.5
         }
       ]
     }
diff --git a/test/unit/unit_configs/process/photolysis/valid/reactions.json b/test/unit/unit_configs/process/photolysis/valid/reactions.json
index 161f38319..dc4dec9a6 100644
--- a/test/unit/unit_configs/process/photolysis/valid/reactions.json
+++ b/test/unit/unit_configs/process/photolysis/valid/reactions.json
@@ -24,7 +24,8 @@
             "bar": { "yield": 0.5 },
             "foo": { }
           },
-          "MUSICA name": "jbar"
+          "MUSICA name": "jbar",
+          "scaling factor": 2.5
         }
       ]
     }
diff --git a/test/unit/unit_configs/process/user_defined/valid/reactions.json b/test/unit/unit_configs/process/user_defined/valid/reactions.json
index 6f057e25d..6262fd2fe 100644
--- a/test/unit/unit_configs/process/user_defined/valid/reactions.json
+++ b/test/unit/unit_configs/process/user_defined/valid/reactions.json
@@ -25,7 +25,8 @@
           },
           "products": {
             "bar" : { }
-          } 
+          }, 
+          "scaling factor": 2.5
         }
       ]
     }

From 54a3f4466eec1bfc21dc12f81ca0c8ca1fef357a Mon Sep 17 00:00:00 2001
From: GitHub Actions <actions@github.com>
Date: Fri, 10 Nov 2023 20:30:14 +0000
Subject: [PATCH 235/318] Auto-format code using Clang-Format

---
 include/micm/configure/solver_config.hpp | 20 ++++++++++----------
 1 file changed, 10 insertions(+), 10 deletions(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 1d37eab13..a8ff6943e 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -485,8 +485,8 @@ namespace micm
 
       user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name, .scaling_factor_ = scaling_factor }));
 
-      std::unique_ptr<UserDefinedRateConstant> rate_ptr =
-          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name, .scaling_factor_ = scaling_factor });
+      std::unique_ptr<UserDefinedRateConstant> rate_ptr = std::make_unique<UserDefinedRateConstant>(
+          UserDefinedRateConstantParameters{ .label_ = name, .scaling_factor_ = scaling_factor });
       processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
       return ConfigParseStatus::Success;
@@ -838,8 +838,8 @@ namespace micm
 
       user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name, .scaling_factor_ = scaling_factor }));
 
-      std::unique_ptr<UserDefinedRateConstant> rate_ptr =
-          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name, .scaling_factor_ = scaling_factor });
+      std::unique_ptr<UserDefinedRateConstant> rate_ptr = std::make_unique<UserDefinedRateConstant>(
+          UserDefinedRateConstantParameters{ .label_ = name, .scaling_factor_ = scaling_factor });
       processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
       return ConfigParseStatus::Success;
@@ -873,13 +873,13 @@ namespace micm
       }
 
       double scaling_factor = object.contains(SCALING_FACTOR) ? object[SCALING_FACTOR].get<double>() : 1.0;
-      
+
       std::string name = "LOSS." + object[MUSICA_NAME].get<std::string>();
 
       user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name, .scaling_factor_ = scaling_factor }));
 
-      std::unique_ptr<UserDefinedRateConstant> rate_ptr =
-          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name, .scaling_factor_ = scaling_factor });
+      std::unique_ptr<UserDefinedRateConstant> rate_ptr = std::make_unique<UserDefinedRateConstant>(
+          UserDefinedRateConstantParameters{ .label_ = name, .scaling_factor_ = scaling_factor });
       processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
       return ConfigParseStatus::Success;
@@ -911,13 +911,13 @@ namespace micm
       }
 
       double scaling_factor = object.contains(SCALING_FACTOR) ? object[SCALING_FACTOR].get<double>() : 1.0;
-      
+
       std::string name = "USER." + object[MUSICA_NAME].get<std::string>();
 
       user_defined_rate_arr_.push_back(UserDefinedRateConstant({ .label_ = name, .scaling_factor_ = scaling_factor }));
 
-      std::unique_ptr<UserDefinedRateConstant> rate_ptr =
-          std::make_unique<UserDefinedRateConstant>(UserDefinedRateConstantParameters{ .label_ = name, .scaling_factor_ = scaling_factor });
+      std::unique_ptr<UserDefinedRateConstant> rate_ptr = std::make_unique<UserDefinedRateConstant>(
+          UserDefinedRateConstantParameters{ .label_ = name, .scaling_factor_ = scaling_factor });
       processes_.push_back(Process(reactants.second, products.second, std::move(rate_ptr), gas_phase_));
 
       return ConfigParseStatus::Success;

From 7f8a595ee054bf2e9e8ee560ed1601c8694a74ae Mon Sep 17 00:00:00 2001
From: David Fillmore <1524012+dwfncar@users.noreply.github.com>
Date: Fri, 10 Nov 2023 14:17:49 -0700
Subject: [PATCH 236/318] Changed rate constant expression to allow for N = 0.
 (#354)

---
 .../process/ternary_chemical_activation_rate_constant.hpp     | 2 +-
 include/micm/process/troe_rate_constant.hpp                   | 4 ++--
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/include/micm/process/ternary_chemical_activation_rate_constant.hpp b/include/micm/process/ternary_chemical_activation_rate_constant.hpp
index f20a225d0..02a19545c 100644
--- a/include/micm/process/ternary_chemical_activation_rate_constant.hpp
+++ b/include/micm/process/ternary_chemical_activation_rate_constant.hpp
@@ -104,7 +104,7 @@ namespace micm
     return k0 / (1.0 + k0 * air_number_density / kinf) *
            std::pow(
                parameters_.Fc_,
-               1.0 / (1.0 + 1.0 / parameters_.N_ * std::pow(std::log10(k0 * air_number_density / kinf), 2)));
+               parameters_.N_ / (parameters_.N_ + std::pow(std::log10(k0 * air_number_density / kinf), 2)));
   }
 
 }  // namespace micm
diff --git a/include/micm/process/troe_rate_constant.hpp b/include/micm/process/troe_rate_constant.hpp
index bc1fbccf3..b2fed5335 100644
--- a/include/micm/process/troe_rate_constant.hpp
+++ b/include/micm/process/troe_rate_constant.hpp
@@ -100,7 +100,7 @@ namespace micm
     return k0 * air_number_density / (1.0 + k0 * air_number_density / kinf) *
            std::pow(
                parameters_.Fc_,
-               1.0 / (1.0 + (1.0 / parameters_.N_) * std::pow(std::log10(k0 * air_number_density / kinf), 2)));
+               parameters_.N_ / (parameters_.N_ + std::pow(std::log10(k0 * air_number_density / kinf), 2)));
   }
 
-}  // namespace micm
\ No newline at end of file
+}  // namespace micm

From a6dabea32f8098ccaf83ff644658ac324d5d713a Mon Sep 17 00:00:00 2001
From: GitHub Actions <actions@github.com>
Date: Fri, 10 Nov 2023 21:18:25 +0000
Subject: [PATCH 237/318] Auto-format code using Clang-Format

---
 .../micm/process/ternary_chemical_activation_rate_constant.hpp | 3 +--
 include/micm/process/troe_rate_constant.hpp                    | 3 +--
 2 files changed, 2 insertions(+), 4 deletions(-)

diff --git a/include/micm/process/ternary_chemical_activation_rate_constant.hpp b/include/micm/process/ternary_chemical_activation_rate_constant.hpp
index 02a19545c..7a2ea4623 100644
--- a/include/micm/process/ternary_chemical_activation_rate_constant.hpp
+++ b/include/micm/process/ternary_chemical_activation_rate_constant.hpp
@@ -103,8 +103,7 @@ namespace micm
 
     return k0 / (1.0 + k0 * air_number_density / kinf) *
            std::pow(
-               parameters_.Fc_,
-               parameters_.N_ / (parameters_.N_ + std::pow(std::log10(k0 * air_number_density / kinf), 2)));
+               parameters_.Fc_, parameters_.N_ / (parameters_.N_ + std::pow(std::log10(k0 * air_number_density / kinf), 2)));
   }
 
 }  // namespace micm
diff --git a/include/micm/process/troe_rate_constant.hpp b/include/micm/process/troe_rate_constant.hpp
index b2fed5335..ff2b08715 100644
--- a/include/micm/process/troe_rate_constant.hpp
+++ b/include/micm/process/troe_rate_constant.hpp
@@ -99,8 +99,7 @@ namespace micm
 
     return k0 * air_number_density / (1.0 + k0 * air_number_density / kinf) *
            std::pow(
-               parameters_.Fc_,
-               parameters_.N_ / (parameters_.N_ + std::pow(std::log10(k0 * air_number_density / kinf), 2)));
+               parameters_.Fc_, parameters_.N_ / (parameters_.N_ + std::pow(std::log10(k0 * air_number_density / kinf), 2)));
   }
 
 }  // namespace micm

From be55caf8e762332f7d2932858d8621e27d4ce7f8 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Fri, 10 Nov 2023 16:55:04 -0700
Subject: [PATCH 238/318] Removed unused json files.

---
 test/surface_rxn/configs/config.json       |  1 -
 test/surface_rxn/configs/test_surface.json | 80 ----------------------
 2 files changed, 81 deletions(-)
 delete mode 100644 test/surface_rxn/configs/config.json
 delete mode 100644 test/surface_rxn/configs/test_surface.json

diff --git a/test/surface_rxn/configs/config.json b/test/surface_rxn/configs/config.json
deleted file mode 100644
index 045297e2b..000000000
--- a/test/surface_rxn/configs/config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"camp-files": ["species.json", "mechanism.json"]}
diff --git a/test/surface_rxn/configs/test_surface.json b/test/surface_rxn/configs/test_surface.json
deleted file mode 100644
index 6610d4f07..000000000
--- a/test/surface_rxn/configs/test_surface.json
+++ /dev/null
@@ -1,80 +0,0 @@
-{
-  "camp-data" : [
-    {
-      "type" : "RELATIVE_TOLERANCE",
-      "value" : 1.0e-15
-    },
-    {
-      "name" : "foo",
-      "type" : "CHEM_SPEC",
-      "diffusion coeff [m2 s-1]" : 0.95E-05,
-      "molecular weight [kg mol-1]" : 0.04607,
-      "absolute tolerance" : 1.0e-20
-    },
-    {
-      "name" : "bar",
-      "type" : "CHEM_SPEC"
-    },
-    {
-      "name" : "baz",
-      "type" : "CHEM_SPEC"
-    },
-    {
-      "name" : "aerosol stuff",
-      "type" : "CHEM_SPEC",
-      "phase" : "AEROSOL",
-      "molecular weight [kg mol-1]" : 0.5,
-      "density [kg m-3]" : 1000.0,
-      "absolute tolerance" : 1.0e-20
-    },
-    {
-      "name" : "more aerosol stuff",
-      "type" : "CHEM_SPEC",
-      "phase" : "AEROSOL",
-      "molecular weight [kg mol-1]" : 0.2,
-      "density [kg m-3]" : 1000.0,
-      "absolute tolerance" : 1.0e-20
-    },
-    {
-      "name" : "surface reacting phase",
-      "type" : "AERO_PHASE",
-      "species" : ["aerosol stuff", "more aerosol stuff"]
-    },
-    {
-      "name" : "not surface reacting phase",
-      "type" : "AERO_PHASE",
-      "species": ["aerosol stuff"]
-    },
-    {
-      "type" : "AERO_REP_SINGLE_PARTICLE",
-      "name" : "my aero rep 1",
-      "maximum computational particles" : 1
-    },
-    {
-      "type" : "AERO_REP_SINGLE_PARTICLE",
-      "name" : "my aero rep 2",
-      "maximum computational particles" : 1
-    },
-    {
-      "type" : "AERO_REP_SINGLE_PARTICLE",
-      "name" : "my aero rep 3",
-      "maximum computational particles" : 1
-    },
-    {
-      "name" : "surface mechanism",
-      "type" : "MECHANISM",
-      "reactions" : [
-        {
-        "type" : "SURFACE",
-        "gas-phase reactant" : "foo",
-          "reaction probability" : 2.0e-2,
-          "gas-phase products" : {
-            "bar" : { },
-            "baz" : { "yield" : 0.4 }
-          },
-        "aerosol phase" : "surface reacting phase"
-        }
-      ]
-    }
-  ]
-}

From 5c7dff5d0dcaa748adbfe9b58fc49952984bf865 Mon Sep 17 00:00:00 2001
From: dwfncar <fillmore@ucar.edu>
Date: Fri, 10 Nov 2023 17:32:24 -0700
Subject: [PATCH 239/318] Removed config copy.

---
 test/surface_rxn/CMakeLists.txt | 7 -------
 test/surface_rxn/config.json    | 1 -
 2 files changed, 8 deletions(-)
 delete mode 100644 test/surface_rxn/config.json

diff --git a/test/surface_rxn/CMakeLists.txt b/test/surface_rxn/CMakeLists.txt
index 70b717586..35bdb28da 100644
--- a/test/surface_rxn/CMakeLists.txt
+++ b/test/surface_rxn/CMakeLists.txt
@@ -12,10 +12,3 @@ endif()
 
 ################################################################################
 
-################################################################################
-# Copy test data
-
-add_custom_target(copy_surface_rxn_configs ALL ${CMAKE_COMMAND} -E copy_directory
-  ${CMAKE_CURRENT_SOURCE_DIR}/configs ${CMAKE_BINARY_DIR}/configs)
-
-################################################################################
diff --git a/test/surface_rxn/config.json b/test/surface_rxn/config.json
deleted file mode 100644
index 045297e2b..000000000
--- a/test/surface_rxn/config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"camp-files": ["species.json", "mechanism.json"]}

From bfef464758d2219fb05b82e62cafee4a746d697e Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 12 Nov 2023 09:12:05 -0700
Subject: [PATCH 240/318] Added initial conditions.

---
 test/surface_rxn/test_surface_rxn.cpp | 22 ++++++++++++++++++----
 1 file changed, 18 insertions(+), 4 deletions(-)

diff --git a/test/surface_rxn/test_surface_rxn.cpp b/test/surface_rxn/test_surface_rxn.cpp
index 2981b9c31..a9dd02e56 100644
--- a/test/surface_rxn/test_surface_rxn.cpp
+++ b/test/surface_rxn/test_surface_rxn.cpp
@@ -8,10 +8,6 @@
 
 int main(const int argc, const char* argv[])
 {
-
-  const double rxn_gamma          = 2.0e-2;  // [unitless]
-  const double bar_yield          = 1.0;     // [unitless]
-  const double baz_yield          = 0.4;     // [unitless]
   const double DENSITY_stuff      = 1000.0;  // [kg m-3]
   const double DENSITY_more_stuff = 1000.0;  // [kg m-3]
   const double MW_stuff           = 0.5;     // [kg mol-1]
@@ -19,8 +15,26 @@ int main(const int argc, const char* argv[])
   const double MW_foo             = 0.04607; // [kg mol-1]
   const double Dg_foo             = 0.95e-5; // diffusion coeff [m2 s-1]
   const double sp_number          = 1.3e6;   // single-particle number concentration [# m-3]
+  const double rxn_gamma          = 2.0e-2;  // [unitless]
+  const double bar_yield          = 1.0;     // [unitless]
+  const double baz_yield          = 0.4;     // [unitless]
   const double mode_GMD           = 1.0e-6;  // mode geometric mean diameter [m]
   const double mode_GSD           = 0.1;     // mode geometric standard deviation [unitless]
 
+
+  // environment
+  const double temperature = 272.5;  // temperature (K)
+  const double pressure = 101253.3;  // pressure (Pa)
+
+  // initial conditions
+  const double conc_foo = 1.0;
+  const double conc_stuff = 2.0e-3;
+  const double conc_more_stuff = 3.0e-3;
+
+  double radius = mode_GMD / 2.0 * exp(5.0 * log(mode_GSD) * log(mode_GSD) / 2.0);
+
+  double number_conc = 6.0 / (std::numbers::pi * pow(mode_GMD, 3.0)
+    * exp(9.0/2.0 * log(mode_GSD) * log(mode_GSD) ));
+
   return 0;
 }

From e634ac7aa313c4ae83a302476cf2b283f918bcf4 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 12 Nov 2023 09:18:31 -0700
Subject: [PATCH 241/318] Added initial conditions.

---
 test/surface_rxn/test_surface_rxn.cpp | 10 ++++++----
 1 file changed, 6 insertions(+), 4 deletions(-)

diff --git a/test/surface_rxn/test_surface_rxn.cpp b/test/surface_rxn/test_surface_rxn.cpp
index a9dd02e56..502fa3dbd 100644
--- a/test/surface_rxn/test_surface_rxn.cpp
+++ b/test/surface_rxn/test_surface_rxn.cpp
@@ -8,20 +8,19 @@
 
 int main(const int argc, const char* argv[])
 {
+  // parameters
   const double DENSITY_stuff      = 1000.0;  // [kg m-3]
   const double DENSITY_more_stuff = 1000.0;  // [kg m-3]
   const double MW_stuff           = 0.5;     // [kg mol-1]
   const double MW_more_stuff      = 0.2;     // [kg mol-1]
   const double MW_foo             = 0.04607; // [kg mol-1]
   const double Dg_foo             = 0.95e-5; // diffusion coeff [m2 s-1]
-  const double sp_number          = 1.3e6;   // single-particle number concentration [# m-3]
   const double rxn_gamma          = 2.0e-2;  // [unitless]
   const double bar_yield          = 1.0;     // [unitless]
   const double baz_yield          = 0.4;     // [unitless]
   const double mode_GMD           = 1.0e-6;  // mode geometric mean diameter [m]
   const double mode_GSD           = 0.1;     // mode geometric standard deviation [unitless]
 
-
   // environment
   const double temperature = 272.5;  // temperature (K)
   const double pressure = 101253.3;  // pressure (Pa)
@@ -31,10 +30,13 @@ int main(const int argc, const char* argv[])
   const double conc_stuff = 2.0e-3;
   const double conc_more_stuff = 3.0e-3;
 
+  // effective radius
   double radius = mode_GMD / 2.0 * exp(5.0 * log(mode_GSD) * log(mode_GSD) / 2.0);
 
+  // particle number concentration [# m-3]
   double number_conc = 6.0 / (std::numbers::pi * pow(mode_GMD, 3.0)
-    * exp(9.0/2.0 * log(mode_GSD) * log(mode_GSD) ));
-
+    * exp(9.0/2.0 * log(mode_GSD) * log(mode_GSD) ))
+    * (conc_stuff / DENSITY_stuff + conc_more_stuff / DENSITY_more_stuff);
+  
   return 0;
 }

From 699174e43689b72a525815f552d3fccb0956f90d Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 12 Nov 2023 09:55:44 -0700
Subject: [PATCH 242/318] Species declarations.

---
 test/surface_rxn/test_surface_rxn.cpp | 31 +++++++++++++++++++--------
 1 file changed, 22 insertions(+), 9 deletions(-)

diff --git a/test/surface_rxn/test_surface_rxn.cpp b/test/surface_rxn/test_surface_rxn.cpp
index 502fa3dbd..972ed9b2b 100644
--- a/test/surface_rxn/test_surface_rxn.cpp
+++ b/test/surface_rxn/test_surface_rxn.cpp
@@ -4,22 +4,20 @@
 #include <micm/process/surface_rate_constant.hpp>
 #include <micm/solver/rosenbrock.hpp>
 
-// based on CAMP/test/unit_rxn_data/test_rxn_surface.F90
-
 int main(const int argc, const char* argv[])
 {
-  // parameters
+  // parameters, from CAMP/test/unit_rxn_data/test_rxn_surface.F90
+  const double mode_GMD           = 1.0e-6;  // mode geometric mean diameter [m]
+  const double mode_GSD           = 0.1;     // mode geometric standard deviation [unitless]
   const double DENSITY_stuff      = 1000.0;  // [kg m-3]
   const double DENSITY_more_stuff = 1000.0;  // [kg m-3]
   const double MW_stuff           = 0.5;     // [kg mol-1]
   const double MW_more_stuff      = 0.2;     // [kg mol-1]
   const double MW_foo             = 0.04607; // [kg mol-1]
-  const double Dg_foo             = 0.95e-5; // diffusion coeff [m2 s-1]
+  const double Dg_foo             = 0.95e-5; // diffusion coefficient [m2 s-1]
   const double rxn_gamma          = 2.0e-2;  // [unitless]
   const double bar_yield          = 1.0;     // [unitless]
   const double baz_yield          = 0.4;     // [unitless]
-  const double mode_GMD           = 1.0e-6;  // mode geometric mean diameter [m]
-  const double mode_GSD           = 0.1;     // mode geometric standard deviation [unitless]
 
   // environment
   const double temperature = 272.5;  // temperature (K)
@@ -34,9 +32,24 @@ int main(const int argc, const char* argv[])
   double radius = mode_GMD / 2.0 * exp(5.0 * log(mode_GSD) * log(mode_GSD) / 2.0);
 
   // particle number concentration [# m-3]
-  double number_conc = 6.0 / (std::numbers::pi * pow(mode_GMD, 3.0)
-    * exp(9.0/2.0 * log(mode_GSD) * log(mode_GSD) ))
+  double number_conc = 6.0 / (M_PI * std::pow(mode_GMD, 3.0)
+    * std::exp(9.0/2.0 * std::log(mode_GSD) * std::log(mode_GSD) ))
     * (conc_stuff / DENSITY_stuff + conc_more_stuff / DENSITY_more_stuff);
-  
+
+  micm::Species foo("foo",
+    { { "molecular weight [kg mol-1]", MW_foo },
+    { "diffusion coefficient [m2 s-1]", Dg_foo } });
+  micm::Species bar("bar");
+  micm::Species baz("baz");
+
+  auto state_parameters_ = micm::StateParameters{
+    .number_of_grid_cells_ = 1,
+    .number_of_rate_constants_ = 1,
+    .variable_names_ = { "surface" },
+    .custom_rate_parameter_labels_
+      = { "effective radius [m]",
+          "particle number concentration [# m-3]" },
+  };
+
   return 0;
 }

From 95c63fdc3d11de9f355609c36e4a41018d27a73d Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 12 Nov 2023 10:03:24 -0700
Subject: [PATCH 243/318] Initialize state.

---
 test/surface_rxn/test_surface_rxn.cpp | 8 ++++++++
 1 file changed, 8 insertions(+)

diff --git a/test/surface_rxn/test_surface_rxn.cpp b/test/surface_rxn/test_surface_rxn.cpp
index 972ed9b2b..bab14d39e 100644
--- a/test/surface_rxn/test_surface_rxn.cpp
+++ b/test/surface_rxn/test_surface_rxn.cpp
@@ -51,5 +51,13 @@ int main(const int argc, const char* argv[])
           "particle number concentration [# m-3]" },
   };
 
+  micm::State state{ state_parameters_ };
+  state.custom_rate_parameters_[0][0] = radius;
+  state.custom_rate_parameters_[0][1] = number_conc;
+  state.conditions_[0].temperature_ = temperature;
+  std::vector<double>::const_iterator params = state.custom_rate_parameters_[0].begin();
+  micm::SurfaceRateConstant surface{
+   { .label_ = "foo", .species_ = foo, .reaction_probability_ = rxn_gamma } };
+
   return 0;
 }

From 09269ef15338839f99d40539a2e0e30ec86d4baf Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 12 Nov 2023 17:20:11 -0700
Subject: [PATCH 244/318] Added phase definition.

---
 test/surface_rxn/test_surface_rxn.cpp | 30 ++++++++++++++++++++++++++-
 1 file changed, 29 insertions(+), 1 deletion(-)

diff --git a/test/surface_rxn/test_surface_rxn.cpp b/test/surface_rxn/test_surface_rxn.cpp
index bab14d39e..a4ea38410 100644
--- a/test/surface_rxn/test_surface_rxn.cpp
+++ b/test/surface_rxn/test_surface_rxn.cpp
@@ -42,6 +42,9 @@ int main(const int argc, const char* argv[])
   micm::Species bar("bar");
   micm::Species baz("baz");
 
+  // define phase
+  micm::Phase gas_phase{ std::vector<micm::Species>{ foo, bar, baz } };
+
   auto state_parameters_ = micm::StateParameters{
     .number_of_grid_cells_ = 1,
     .number_of_rate_constants_ = 1,
@@ -57,7 +60,32 @@ int main(const int argc, const char* argv[])
   state.conditions_[0].temperature_ = temperature;
   std::vector<double>::const_iterator params = state.custom_rate_parameters_[0].begin();
   micm::SurfaceRateConstant surface{
-   { .label_ = "foo", .species_ = foo, .reaction_probability_ = rxn_gamma } };
+    { .label_ = "foo", .species_ = foo, .reaction_probability_ = rxn_gamma } };
+
+  // state.SetConcentration("foo", conc_foo);
+
+  /*
+  Process process = micm::Process::create()
+                   .reactants({ f })
+                   .products({  })
+                   .rate_constant()
+                   .phase(gas_phase);
+
+  auto chemical_system = micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase });
+  auto reactions = std::vector<micm::Process>{ process };
+
+
+  micm::RosenbrockSolver<micm::Matrix, SparseMatrixPolicy> solver{
+    chemical_system, reactions, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+  };
+  */
+
+  double time_step = 3600;  // s
+  int nstep = 24;
+
+  for (int i = 0; i < nstep; ++i)
+  {
+  }
 
   return 0;
 }

From 811970b77d9e554eb56edb3c0f4cf8a193f40f35 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 12 Nov 2023 17:45:05 -0700
Subject: [PATCH 245/318] Added process definition.

---
 test/surface_rxn/test_surface_rxn.cpp | 37 ++++++++++++++-------------
 1 file changed, 19 insertions(+), 18 deletions(-)

diff --git a/test/surface_rxn/test_surface_rxn.cpp b/test/surface_rxn/test_surface_rxn.cpp
index a4ea38410..302eb9531 100644
--- a/test/surface_rxn/test_surface_rxn.cpp
+++ b/test/surface_rxn/test_surface_rxn.cpp
@@ -45,6 +45,24 @@ int main(const int argc, const char* argv[])
   // define phase
   micm::Phase gas_phase{ std::vector<micm::Species>{ foo, bar, baz } };
 
+  auto chemical_system = micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase });
+
+  micm::SurfaceRateConstant surface{
+    { .label_ = "foo", .species_ = foo, .reaction_probability_ = rxn_gamma } };
+
+  micm::Process surface_process = micm::Process::create()
+                .reactants({ foo })
+                .products({ micm::yields(bar, bar_yield), micm::yields(baz, baz_yield) })
+                .rate_constant(surface)
+                .phase(gas_phase);
+
+  // auto reactions = std::vector<micm::Process>{ process };
+
+  /*
+  micm::RosenbrockSolver<micm::Matrix, SparseMatrixPolicy> solver{
+    chemical_system, reactions, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+  };
+
   auto state_parameters_ = micm::StateParameters{
     .number_of_grid_cells_ = 1,
     .number_of_rate_constants_ = 1,
@@ -59,27 +77,10 @@ int main(const int argc, const char* argv[])
   state.custom_rate_parameters_[0][1] = number_conc;
   state.conditions_[0].temperature_ = temperature;
   std::vector<double>::const_iterator params = state.custom_rate_parameters_[0].begin();
-  micm::SurfaceRateConstant surface{
-    { .label_ = "foo", .species_ = foo, .reaction_probability_ = rxn_gamma } };
+  */
 
   // state.SetConcentration("foo", conc_foo);
 
-  /*
-  Process process = micm::Process::create()
-                   .reactants({ f })
-                   .products({  })
-                   .rate_constant()
-                   .phase(gas_phase);
-
-  auto chemical_system = micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase });
-  auto reactions = std::vector<micm::Process>{ process };
-
-
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixPolicy> solver{
-    chemical_system, reactions, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
-  */
-
   double time_step = 3600;  // s
   int nstep = 24;
 

From ed01811caf5723e776ea30511011f7294b8ad666 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 12 Nov 2023 18:22:57 -0700
Subject: [PATCH 246/318] Added custom rate paramters.

---
 test/surface_rxn/test_surface_rxn.cpp | 41 ++++++++++++++-------------
 1 file changed, 21 insertions(+), 20 deletions(-)

diff --git a/test/surface_rxn/test_surface_rxn.cpp b/test/surface_rxn/test_surface_rxn.cpp
index 302eb9531..2ade667a7 100644
--- a/test/surface_rxn/test_surface_rxn.cpp
+++ b/test/surface_rxn/test_surface_rxn.cpp
@@ -42,50 +42,51 @@ int main(const int argc, const char* argv[])
   micm::Species bar("bar");
   micm::Species baz("baz");
 
-  // define phase
+  // Phase
   micm::Phase gas_phase{ std::vector<micm::Species>{ foo, bar, baz } };
 
+  // System
   auto chemical_system = micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase });
 
+  // Rate
   micm::SurfaceRateConstant surface{
     { .label_ = "foo", .species_ = foo, .reaction_probability_ = rxn_gamma } };
 
+  // Process
   micm::Process surface_process = micm::Process::create()
                 .reactants({ foo })
                 .products({ micm::yields(bar, bar_yield), micm::yields(baz, baz_yield) })
                 .rate_constant(surface)
                 .phase(gas_phase);
 
-  // auto reactions = std::vector<micm::Process>{ process };
+  auto reactions = std::vector<micm::Process>{ surface_process };
 
-  /*
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixPolicy> solver{
+  // Solver
+  micm::RosenbrockSolver<> solver{
     chemical_system, reactions, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
   };
 
-  auto state_parameters_ = micm::StateParameters{
-    .number_of_grid_cells_ = 1,
-    .number_of_rate_constants_ = 1,
-    .variable_names_ = { "surface" },
-    .custom_rate_parameter_labels_
-      = { "effective radius [m]",
-          "particle number concentration [# m-3]" },
-  };
-
-  micm::State state{ state_parameters_ };
-  state.custom_rate_parameters_[0][0] = radius;
-  state.custom_rate_parameters_[0][1] = number_conc;
+  // State
+  micm::State state = solver.GetState();
   state.conditions_[0].temperature_ = temperature;
-  std::vector<double>::const_iterator params = state.custom_rate_parameters_[0].begin();
-  */
-
-  // state.SetConcentration("foo", conc_foo);
+  state.conditions_[0].pressure_ = pressure;
+  state.SetCustomRateParameter("foo.effective radius [m]", radius);
+  state.SetCustomRateParameter("foo.particle number concentration [# m-3]", number_conc);
+  state.SetConcentration(foo, conc_foo);
 
   double time_step = 3600;  // s
   int nstep = 24;
 
   for (int i = 0; i < nstep; ++i)
   {
+    double elapsed_solve_time = 0;
+
+    while (elapsed_solve_time < time_step)
+    {
+      auto result = solver.Solve(time_step - elapsed_solve_time, state);
+      elapsed_solve_time = result.final_time_;
+      state.variables_ = result.result_;
+    }
   }
 
   return 0;

From 05ff1267751e8e01b3de10b3ad2fc9150aa26f3b Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Mon, 13 Nov 2023 08:49:40 -0800
Subject: [PATCH 247/318] address data type conversion warning

---
 include/micm/solver/state.inl | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/micm/solver/state.inl b/include/micm/solver/state.inl
index b6e71c72e..6197fabe5 100644
--- a/include/micm/solver/state.inl
+++ b/include/micm/solver/state.inl
@@ -52,7 +52,7 @@ namespace micm
   inline void State<MatrixPolicy, SparseMatrixPolicy>::SetConcentrations(
       const std::unordered_map<std::string, std::vector<double>>& species_to_concentration)
   {
-    const int num_grid_cells = conditions_.size();
+    const std::size_t num_grid_cells = conditions_.size();
     for (const auto& pair : species_to_concentration)
       SetConcentration({ pair.first }, pair.second);
   }

From c5967441e18e2f10aa6c145414f194061db04feb Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 13 Nov 2023 18:44:05 +0000
Subject: [PATCH 248/318] Added Chapman configs.

---
 etc/configs/kpp/arr.eqn           |  15 --
 etc/configs/kpp/arr.spc           |  19 --
 etc/configs/kpp/atoms_H_to_Ar.kpp |  22 --
 etc/configs/kpp/chapman.eqn       |  10 -
 etc/configs/kpp/chapman.spc       |  11 -
 etc/configs/kpp/small_strato.def  |  42 ----
 etc/configs/kpp/small_strato.eqn  |  15 --
 etc/configs/kpp/small_strato.spc  |  17 --
 etc/scripts/kpp_to_micm.py        | 383 ------------------------------
 etc/scripts/test_kpp_to_micm.py   |  40 ----
 examples/Chapman/reactions.json   |  97 ++++++++
 examples/Chapman/species.json     |  29 +++
 12 files changed, 126 insertions(+), 574 deletions(-)
 delete mode 100644 etc/configs/kpp/arr.eqn
 delete mode 100644 etc/configs/kpp/arr.spc
 delete mode 100644 etc/configs/kpp/atoms_H_to_Ar.kpp
 delete mode 100644 etc/configs/kpp/chapman.eqn
 delete mode 100644 etc/configs/kpp/chapman.spc
 delete mode 100644 etc/configs/kpp/small_strato.def
 delete mode 100644 etc/configs/kpp/small_strato.eqn
 delete mode 100644 etc/configs/kpp/small_strato.spc
 delete mode 100644 etc/scripts/kpp_to_micm.py
 delete mode 100644 etc/scripts/test_kpp_to_micm.py
 create mode 100644 examples/Chapman/reactions.json
 create mode 100644 examples/Chapman/species.json

diff --git a/etc/configs/kpp/arr.eqn b/etc/configs/kpp/arr.eqn
deleted file mode 100644
index a4016e5d2..000000000
--- a/etc/configs/kpp/arr.eqn
+++ /dev/null
@@ -1,15 +0,0 @@
-#EQUATIONS
-
-<1> NO2 + hv = NO + O3P : 				6.69e-1*(SUN/60.0e0);
-<2> O3P + O2 + AIR = O3 : 				ARR_ac(5.68e-34,  -2.80e0);
-<3> O3P + O3 = 2O2 : 					ARR_ab(8.00e-12, 2060.0e0);
-<4> O3P + NO + AIR = NO2 : 				ARR_ac(1.00e-31,  -1.60e0);
-<5> O3P + NO2 = NO : 					ARR_ab(6.50e-12,- 120.0e0);
-<7> O3 + NO = NO2 : 					ARR_ab(1.80e-12, 1370.0e0);
-<8> O3 + NO2 = NO3 : 					ARR_ab(1.40e-13, 2470.0e0);
-<9> NO + NO3 = 2NO2 : 					ARR_ab(1.80e-11, -110.0e0);
-<10> NO + NO + O2 = 2NO2 : 				ARR_ab(3.30e-39, -530.0e0);
-<14> NO2 + NO3 = NO + NO2 : 				ARR_ab(4.50e-14, 1260.0e0);
-<15> NO3 + hv = NO : 					1.59e0*(SUN/60.0e0);
-<16> NO3 + hv = NO2 + O3P : 				1.50e+1*(SUN/60.0e0);
-<17> O3 + hv = O3P : 					3.76e-2*(SUN/60.0e0);
diff --git a/etc/configs/kpp/arr.spc b/etc/configs/kpp/arr.spc
deleted file mode 100644
index cffabd3bc..000000000
--- a/etc/configs/kpp/arr.spc
+++ /dev/null
@@ -1,19 +0,0 @@
-#INCLUDE atoms.kpp
-
-#DEFVAR   
-
-        O3        	= 3O;
-	H2O2		= 2H + 2O;        
-	NO		= N + O;
-	NO2		= N + 2O;
-	NO3		= N + 3O;
-	O3P		= O;
-	
-
-
-#DEFFIX	
-	AIR		= IGNORE;
-	O2		= 2O;
-	H2O		= 2H + O;
-	H2		= 2H;	
-	CH4		= C + 4H;	
diff --git a/etc/configs/kpp/atoms_H_to_Ar.kpp b/etc/configs/kpp/atoms_H_to_Ar.kpp
deleted file mode 100644
index e0d373315..000000000
--- a/etc/configs/kpp/atoms_H_to_Ar.kpp
+++ /dev/null
@@ -1,22 +0,0 @@
-#ATOMS
-H  {   1 Hydrogen      };
-He {   2 Helium        };
-Li {   3 Lithium       };
-Be {   4 Beryllium     };
-B  {   5 Boron         };
-C  {   6 Carbon        };
-N  {   7 Nitrogen      };
-O  {   8 Oxygen        };
-F  {   9 Fluorine      };
-Ne {  10 Neon          };
-Na {  11 Sodium        };
-Mg {  12 Magnesium     };
-Al {  13 Aluminium     };
-Si {  14 Silicon       };
-P  {  15 Phosphorus    };
-S  {  16 Sulfur        };
-Cl {  17 Chlorine      };
-Ar {  18 Argon         };
-
-Pls; {plus  (positive charge as pseudo-atom for charge balance)}
-Min; {minus (negative charge as pseudo-atom for charge balance)}
diff --git a/etc/configs/kpp/chapman.eqn b/etc/configs/kpp/chapman.eqn
deleted file mode 100644
index c15640dd5..000000000
--- a/etc/configs/kpp/chapman.eqn
+++ /dev/null
@@ -1,10 +0,0 @@
-#EQUATIONS { Small Stratospheric Mechanism }
-
-<R1>  O2   + hv = 2O        : (2.643E-10) * SUN*SUN*SUN;
-<R2>  O    + O2 = O3        : (8.018E-17);
-<R3>  O3   + hv = O + O2    : (6.120E-04) * SUN;
-<R4>  O    + O3 = 2O2       : (1.576E-15);
-<R5>  O3   + hv = O1D + O2  : (1.070E-03) * SUN*SUN;
-<R6>  O1D  + M  = O   + M   : (7.110E-11);
-<R7>  O1D  + O3 = 2O2       : (1.200E-10);
-
diff --git a/etc/configs/kpp/chapman.spc b/etc/configs/kpp/chapman.spc
deleted file mode 100644
index 0dab2f343..000000000
--- a/etc/configs/kpp/chapman.spc
+++ /dev/null
@@ -1,11 +0,0 @@
-#INCLUDE atoms.kpp
-
-#DEFVAR
-O   = O;          { Oxygen atomic ground state }
-O1D = O;          { Oxygen atomic excited state }
-O3  = O + O + O;  { Ozone }
-
-#DEFFIX
-M   = O + O + N + N;  { Atmospheric generic molecule }
-O2  = O + O;          { Molecular oxygen }
-
diff --git a/etc/configs/kpp/small_strato.def b/etc/configs/kpp/small_strato.def
deleted file mode 100644
index 3e02128ae..000000000
--- a/etc/configs/kpp/small_strato.def
+++ /dev/null
@@ -1,42 +0,0 @@
-#INCLUDE small_strato.spc       { Includes file w/ species definitons     }
-#INCLUDE small_strato.eqn       { Includes file w/ chemical equations     }
-
-#LOOKATALL                      { Output all species to small_strato.dat}
-#MONITOR O3;N;O2;O;NO;O1D;NO2;  { Print selected species to screen        }
-
-#CHECK O; N;                    { Check Mass Balance of oxygen & nitrogen }
-
-#INITVALUES                     { Set initial values of species           }
-  CFACTOR = 1.    ;             { and set units conversion factor to 1    }
-  O1D = 9.906E+01 ;
-  O   = 6.624E+08 ;
-  O3  = 5.326E+11 ;
-  O2  = 1.697E+16 ;
-  NO  = 8.725E+08 ;
-  NO2 = 2.240E+08 ;
-  M   = 8.120E+16 ;
-
-{ Fortran code to be inlined into ROOT_Global }
-#INLINE F90_INIT
-  TSTART = (12*3600)
-  TEND = TSTART + (3*24*3600)
-  DT = 0.25*3600
-  TEMP = 270
-#ENDINLINE
-
-{ Matlab code to be inlined into ROOT_Global }
-#INLINE MATLAB_INIT
-  global TSTART TEND DT TEMP
-  TSTART = (12*3600);
-  TEND = TSTART + (3*24*3600);
-  DT = 0.25*3600;
-  TEMP = 270;
-#ENDINLINE
-
-{ C code to be inlined into ROOT_GLOBAL }
-#INLINE C_INIT
-  TSTART = (12*3600);
-  TEND = TSTART + (3*24*3600);
-  DT = 0.25*3600;
-  TEMP = 270;
-#ENDINLINE
diff --git a/etc/configs/kpp/small_strato.eqn b/etc/configs/kpp/small_strato.eqn
deleted file mode 100644
index 8c9b530d1..000000000
--- a/etc/configs/kpp/small_strato.eqn
+++ /dev/null
@@ -1,15 +0,0 @@
-#EQUATIONS { Small Stratospheric Mechanism }
-
-
-<R1>  O2   + hv = 2O		: (2.643E-10) * SUN*SUN*SUN;
-<R2>  O    + O2 = O3		: (8.018E-17);
-<R3>  O3   + hv = O   + O2 	: (6.120E-04) * SUN;
-<R4>  O    + O3 = 2O2		: (1.576E-15);
-<R5>  O3   + hv = O1D + O2	: (1.070E-03) * SUN*SUN;
-<R6>  O1D  + M  = O   + M	: (7.110E-11);
-<R7>  O1D  + O3 = 2O2 		: (1.200E-10);
-<R8>  NO   + O3 = NO2 + O2 	: (6.062E-15);
-<R9>  NO2  + O  = NO  + O2	: (1.069E-11);
-<R10> NO2  + hv = NO  + O	: (1.289E-02) * SUN;
- 
-
diff --git a/etc/configs/kpp/small_strato.spc b/etc/configs/kpp/small_strato.spc
deleted file mode 100644
index 841314cd3..000000000
--- a/etc/configs/kpp/small_strato.spc
+++ /dev/null
@@ -1,17 +0,0 @@
-#INCLUDE atoms.kpp
-
-#DEFVAR
-O   = O;    	    { Oxygen atomic ground state }	
-O1D = O;	    { Oxygen atomic excited state }
-O3  = O + O + O;    { Ozone }
-NO  = N + O;	    { Nitric oxide }	     
-NO2 = N + O + O;    { Nitrogen dioxide }
-
-
-#DEFFIX
-M   = O + O + N + N;{ Atmospheric generic molecule }
-O2  = O + O;        { Molecular oxygen }
-
-
-
-
diff --git a/etc/scripts/kpp_to_micm.py b/etc/scripts/kpp_to_micm.py
deleted file mode 100644
index 956f88151..000000000
--- a/etc/scripts/kpp_to_micm.py
+++ /dev/null
@@ -1,383 +0,0 @@
-"""
-Copyright (C) 2023
-National Center for Atmospheric Research,
-SPDX-License-Identifier: Apache-2.0
-
-File:
-    kpp_to_micm.py
-
-Usage:
-    python kpp_to_micm.py
-    python kpp_to_micm.py --help
-
-Description:
-    kpp_to_micm.py translates KPP config files to MICM JSON config files
-    (desginated by the suffixes .kpp, .spc, .eqn, .def)
-    from a single directory specified by the
-    --kpp_dir and --kpp_name arguments.
-
-    In the initial implementation,
-    the KPP sections #ATOMS (not yet used), #DEFFIX,
-    #DEFVAR, and #EQUATIONS are read and parsed.
-    Equations with the hv reactant are MICM PHOTOLYSIS reactions,
-    equations with a single coefficient are assumed to be ARRHENIUS reactions.
-
-TODO:
-    (1) Translate stoichiometric coefficients in the equation string
-    with more than one digit.
-    (2) Add pytest unit test for method micm_equation_json.
-    (3+) Add support for many more reaction types ...
-
-Revision History:
-    v1.00 2023/08/03 Initial implementation
-    v1.01 2023/08/16 Added method parse_kpp_arrhenius
-    v1.02 2023/10/05 Added unit conversion option
-"""
-
-import os
-import sys
-import argparse
-import logging
-import json
-from glob import glob
-
-__version__ = 'v1.02'
-
-"""
-Physical Constants
-"""
-N_Avogadro = 6.02214076e23 
-
-
-def read_kpp_config(kpp_dir, kpp_name):
-    """
-    Read all KPP config files in a directory
-
-    Parameters
-        (str) kpp_dir: KPP directory
-
-    Returns
-        (list of str): all lines from all config files
-    """
-
-    suffixes = ['.kpp', '.spc', '.eqn', '.def']
-
-    lines = list()
-
-    for suffix in suffixes:
-        files = glob(os.path.join(kpp_dir, kpp_name + '*' + suffix))
-        logging.debug(files)
-        for filename in files:
-            with open(filename, 'r') as f:
-                lines.extend(f.readlines())
-
-    # remove empty lines and tabs
-    lines = [line.replace('\t', '') for line in lines if line.strip()] 
-
-    for line in lines:
-        logging.debug(line.strip())
-
-    return lines
-
-
-def split_by_section(lines):
-    """
-    Split KPP config lines by section
-
-    Parameters
-        (list of str) lines: all lines config files
-
-    Returns
-        (dict of list of str): lines in each section
-    """
-
-    sections = {'#ATOMS': [],
-                '#DEFVAR': [],
-                '#DEFFIX': [],
-                '#EQUATIONS': []}
-
-    joined_lines = ''.join(lines)
-    section_blocks = joined_lines.split('#')
-
-    for section in sections:
-        for section_block in section_blocks:
-            if section.replace('#', '') in section_block:
-                sections[section].extend(section_block.split('\n')[1:-1])
-
-    return sections
-
-
-def micm_species_json(lines, fixed=False, tolerance=1.0e-12):
-    """
-    Generate MICM species JSON
-
-    Parameters
-        (list of str) lines: lines of species section
-        (bool) fixed: set constant tracer
-        (float) tolerance: absolute tolerance
-
-    Returns
-        (list of dict): list of MICM species entries
-    """
-
-    species_json = list() # list of dict
-
-    for line in lines:
-        lhs, rhs = tuple(line.split('='))
-        logging.debug((lhs, rhs))
-        species_dict = {'name': lhs.strip().lstrip(), 'type': 'CHEM_SPEC'}
-        if fixed:
-            species_dict['tracer type'] = 'CONSTANT'
-        else:
-            species_dict['absolute tolerance'] = tolerance
-        species_json.append(species_dict)
-
-    return species_json
-
-
-def parse_kpp_arrhenius(kpp_str, to_si_units=False,
-    N_reactants=2):
-    """
-    Parse KPP Arrhenius reaction
-
-    Parameters
-        (str) kpp_str: Arrhenius reaction string
-        (bool) to_si_units: convert A coefficient
-        from (cm^3 molecule-1)^(N-1) s-1 to (m^3 mol-1)^(N-1) s-1
-        where N is the number of reactants
-        (int) N_reactants: number of reactants
-
-    Returns
-        (dict): MICM Arrhenius reaction coefficients
-
-    Arrhenius formula from KPP
-    --------------------------
-
-    KPP_REAL ARR_abc( float A0, float B0, float C0 )
-    {
-      double ARR_RES;
-
-      ARR_RES = (double)A0
-        * exp( -(double)B0/TEMP )
-        * pow( (TEMP/300.0), (double)C0 );
-
-    return (KPP_REAL)ARR_RES;
-    }
-
-    Arrhenius formula from MICM
-    ---------------------------
-
-    inline double ArrheniusRateConstant::calculate(
-      const double& temperature, const double& pressure) const
-    {
-    return parameters_.A_ * std::exp(parameters_.C_ / temperature)
-      * pow(temperature / parameters_.D_, parameters_.B_) *
-      (1.0 + parameters_.E_ * pressure);
-    }
-    """
-    logging.debug(kpp_str)
-    coeffs = [float(coeff.replace(' ', '')) for coeff in
-        kpp_str.split('(')[1].split(')')[0].split(',')]
-    logging.debug(coeffs)
-    arr_dict = dict()
-    arr_dict['type'] = 'ARRHENIUS' 
-    # note the interchange of B and C, and change of sign
-    # in the KPP and MICM conventions
-    if ('_abc(' in kpp_str):
-        arr_dict['A'] = coeffs[0]
-        arr_dict['B'] = coeffs[2]
-        arr_dict['C'] = - coeffs[1]
-        arr_dict['D'] = 300.0
-    elif ('_ab(' in kpp_str):
-        arr_dict['A'] = coeffs[0]
-        arr_dict['C'] = - coeffs[1]
-        arr_dict['D'] = 300.0
-    elif ('_ac(' in kpp_str):
-        arr_dict['A'] = coeffs[0]
-        arr_dict['B'] = coeffs[1]
-        arr_dict['D'] = 300.0
-    else:
-        logging.error('unrecognized KPP Arrhenius syntax')
-    if to_si_units:
-        arr_dict['A'] *= (N_Avogadro * 1.0e-6)**(N_reactants - 1)
-    logging.debug(arr_dict)
-    return arr_dict
-
-
-def micm_equation_json(lines, to_si_units=False):
-    """
-    Generate MICM equation JSON
-
-    Parameters
-        (list of str) lines: lines of equation section
-        (bool) to_si_units: convert A coefficient
-        from cm^3 molecule-1 s-1 to m^3 mol-1 s-1
-
-    Returns
-        (list of dict): list of MICM equation entries
-    """
-
-    equations = list() # list of dict
-
-    for line in lines:
-        logging.debug(line)
-
-        # split on equal sign into left hand and right hand sides 
-        lhs, rhs = tuple(line.split('='))
-
-        # extract reaction coefficients
-        rhs, coeffs = tuple(rhs.split(':'))
-        coeffs = coeffs.replace(';', '')
-
-        # get reactants and products
-        reactants = lhs.split('+')
-        products = rhs.split('+')
-
-        # extract equation label delimited by < >
-        label, reactants[0] = tuple(reactants[0].split('>'))
-        label = label.lstrip('<')
-
-        # remove trailing and leading whitespace
-        reactants = [reactant.strip().lstrip() for reactant in reactants]
-        products = [product.strip().lstrip() for product in products]
-
-        N_reactants = len(reactants)
-
-        equation_dict = dict()
-
-        if 'SUN' in coeffs:
-            equation_dict['type'] = 'PHOTOLYSIS'
-        elif 'ARR' in coeffs:
-            equation_dict = parse_kpp_arrhenius(coeffs,
-                to_si_units=to_si_units, N_reactants=N_reactants)
-        else:
-            # default to Arrhenius with a single coefficient
-            coeffs = coeffs.replace('(', '').replace(')', '')
-            equation_dict['type'] = 'ARRHENIUS'
-            equation_dict['A'] = float(coeffs)
-            if to_si_units:
-                equation_dict['A'] *= (N_Avogadro * 1.0e-6)**(N_reactants - 1)
-
-        equation_dict['reactants'] = dict()
-        equation_dict['products'] = dict()
-
-        for reactant in reactants:
-            if reactant[0].isdigit():
-                equation_dict['reactants'][reactant[1:]] \
-                    = {'qty': float(reactant[0])}
-            elif 'hv' in reactant:
-                pass
-            else:
-                equation_dict['reactants'][reactant] = dict()
-
-        for product in products:
-            if product[0].isdigit():
-                equation_dict['products'][product[1:]] \
-                    = {'yield': float(product[0])}
-            else:
-                equation_dict['products'][product] = dict()
-
-        equation_dict['MUSICA name'] = label
-
-        equations.append(equation_dict)
-
-    return equations
-
-
-if __name__ == '__main__':
-
-    """
-    Parse command line arguments
-    """
-    parser = argparse.ArgumentParser()
-    parser.add_argument('--logfile', type=str,
-        default=sys.stdout,
-        help='log file (default stdout)')
-    parser.add_argument('--kpp_dir', type=str,
-        default=os.path.join('..', 'configs', 'kpp'),
-        help='KPP input config directory')
-    parser.add_argument('--kpp_name', type=str,
-        default='small_strato',
-        help='KPP config name')
-    parser.add_argument('--micm_dir', type=str,
-        default=os.path.join('..', 'configs', 'micm'),
-        help='MICM output species config file')
-    parser.add_argument('--mechanism', type=str,
-        default='Chapman',
-        help='mechanism name')
-    parser.add_argument('--to_si_units', action='store_true',
-        default=False,
-        help='convert units from molecules cm-3 to mol m-3')
-    parser.add_argument('--debug', action='store_true',
-        help='set logging level to debug')
-    args = parser.parse_args()
-
-    """
-    Setup logging
-    """
-    logging_level = logging.DEBUG if args.debug else logging.INFO
-    logging.basicConfig(stream=args.logfile, level=logging_level)
-
-    """
-    Read KPP config files
-    """
-    lines = read_kpp_config(args.kpp_dir, args.kpp_name)
-
-    """
-    Split KPP config by section
-    """
-    sections = split_by_section(lines)
-    for section in sections:
-        logging.info('____ KPP section %s ____' % section)
-        for line in sections[section]:
-            logging.info(line)
-        print('\n')
-
-    """
-    Generate MICM species JSON from KPP #DEFFIX section
-    """
-    deffix_json = micm_species_json(sections['#DEFFIX'], fixed=True)
-
-    """
-    Generate MICM species JSON from KPP #DEFVAR section
-    """
-    defvar_json = micm_species_json(sections['#DEFVAR'])
-
-    """
-    Generate MICM equations JSON from KPP #EQUATIONS section
-    """
-    equations_json = micm_equation_json(sections['#EQUATIONS'],
-        to_si_units=args.to_si_units)
-
-    """
-    Assemble MICM species JSON
-    """
-    micm_species_json = {'camp-data': deffix_json + defvar_json}
-    micm_species_json_str = json.dumps(micm_species_json, indent=4)
-    logging.info('____ MICM species ____')
-    logging.info(micm_species_json_str)
-    print('\n')
-
-    """
-    Assemble MICM reactions JSON
-    """
-    micm_reactions_json = {'camp-data':
-        [{'name': args.mechanism, 'type': 'MECHANISM', 'reactions': equations_json}]}
-    micm_reactions_json_str = json.dumps(micm_reactions_json, indent=4)
-    logging.info('____ MICM reactions ____')
-    logging.info(micm_reactions_json_str)
-    print('\n')
-
-    """
-    Write MICM JSON
-    """
-    micm_mechanism_dir = os.path.join(args.micm_dir, args.mechanism)
-    if not os.path.exists(args.micm_dir):
-        os.mkdir(args.micm_dir)
-    if not os.path.exists(micm_mechanism_dir):
-        os.mkdir(micm_mechanism_dir)
-    with open(os.path.join(micm_mechanism_dir, 'species.json'), 'w') as f:
-        json.dump(micm_species_json, f, indent=4)
-    with open(os.path.join(micm_mechanism_dir, 'reactions.json'), 'w') as f:
-        json.dump(micm_reactions_json, f, indent=4)
-
diff --git a/etc/scripts/test_kpp_to_micm.py b/etc/scripts/test_kpp_to_micm.py
deleted file mode 100644
index 2eac98e50..000000000
--- a/etc/scripts/test_kpp_to_micm.py
+++ /dev/null
@@ -1,40 +0,0 @@
-"""
-Copyright (C) 2023
-National Center for Atmospheric Research,
-SPDX-License-Identifier: Apache-2.0
-
-File:
-    test_kpp_to_micm.py
-
-Usage:
-    pytest test_kpp_to_micm.py --log-cli-level=DEBUG
-"""
-
-import kpp_to_micm
-
-def test_parse_kpp_arrhenius():
-    """
-    examples
-    ARR_ab(1.0e-12, 2000.0)
-    ARR_ac(1.0e-12, -3.0)
-    ARR_abc(1.0e-12, 2000.0, -3.0)
-    """
-
-    kpp_A, kpp_B, kpp_C = 1.0e-12, 2000.0, -3.0
-
-    arr_dict = kpp_to_micm.parse_kpp_arrhenius(
-        'ARR_ab(%.2e, %.2f)' % (kpp_A, kpp_B))
-    assert arr_dict['A'] == kpp_A
-    assert arr_dict['C'] == - kpp_B
-
-    arr_dict = kpp_to_micm.parse_kpp_arrhenius(
-        'ARR_ac(%.2e, %.2f)' % (kpp_A, kpp_C))
-    assert arr_dict['A'] == kpp_A
-    assert arr_dict['B'] == kpp_C
-
-    arr_dict = kpp_to_micm.parse_kpp_arrhenius(
-        'ARR_abc(%.2e, %.2f, %.2f)' % (kpp_A, kpp_B, kpp_C))
-    assert arr_dict['A'] == kpp_A
-    assert arr_dict['C'] == - kpp_B
-    assert arr_dict['B'] == kpp_C
-
diff --git a/examples/Chapman/reactions.json b/examples/Chapman/reactions.json
new file mode 100644
index 000000000..85129afe1
--- /dev/null
+++ b/examples/Chapman/reactions.json
@@ -0,0 +1,97 @@
+{
+    "camp-data": [
+        {
+            "name": "Chapman",
+            "type": "MECHANISM",
+            "reactions": [
+                {
+                    "type": "PHOTOLYSIS",
+                    "reactants": {
+                        "O2": {}
+                    },
+                    "products": {
+                        "O": {
+                            "yield": 2.0
+                        }
+                    },
+                    "MUSICA name": "R1"
+                },
+                {
+                    "type": "ARRHENIUS",
+                    "A": 48.28552461368,
+                    "reactants": {
+                        "O": {},
+                        "O2": {}
+                    },
+                    "products": {
+                        "O3": {}
+                    },
+                    "MUSICA name": "R2"
+                },
+                {
+                    "type": "PHOTOLYSIS",
+                    "reactants": {
+                        "O3": {}
+                    },
+                    "products": {
+                        "O": {},
+                        "O2": {}
+                    },
+                    "MUSICA name": "R3"
+                },
+                {
+                    "type": "ARRHENIUS",
+                    "A": 949.089383776,
+                    "reactants": {
+                        "O": {},
+                        "O3": {}
+                    },
+                    "products": {
+                        "O2": {
+                            "yield": 2.0
+                        }
+                    },
+                    "MUSICA name": "R4"
+                },
+                {
+                    "type": "PHOTOLYSIS",
+                    "reactants": {
+                        "O3": {}
+                    },
+                    "products": {
+                        "O1D": {},
+                        "O2": {}
+                    },
+                    "MUSICA name": "R5"
+                },
+                {
+                    "type": "ARRHENIUS",
+                    "A": 42817420.803600006,
+                    "reactants": {
+                        "O1D": {},
+                        "M": {}
+                    },
+                    "products": {
+                        "O": {},
+                        "M": {}
+                    },
+                    "MUSICA name": "R6"
+                },
+                {
+                    "type": "ARRHENIUS",
+                    "A": 72265689.12,
+                    "reactants": {
+                        "O1D": {},
+                        "O3": {}
+                    },
+                    "products": {
+                        "O2": {
+                            "yield": 2.0
+                        }
+                    },
+                    "MUSICA name": "R7"
+                }
+            ]
+        }
+    ]
+}
\ No newline at end of file
diff --git a/examples/Chapman/species.json b/examples/Chapman/species.json
new file mode 100644
index 000000000..c962907ff
--- /dev/null
+++ b/examples/Chapman/species.json
@@ -0,0 +1,29 @@
+{
+    "camp-data": [
+        {
+            "name": "M",
+            "type": "CHEM_SPEC",
+            "tracer type": "CONSTANT"
+        },
+        {
+            "name": "O2",
+            "type": "CHEM_SPEC",
+            "tracer type": "CONSTANT"
+        },
+        {
+            "name": "O",
+            "type": "CHEM_SPEC",
+            "absolute tolerance": 1e-12
+        },
+        {
+            "name": "O1D",
+            "type": "CHEM_SPEC",
+            "absolute tolerance": 1e-12
+        },
+        {
+            "name": "O3",
+            "type": "CHEM_SPEC",
+            "absolute tolerance": 1e-12
+        }
+    ]
+}
\ No newline at end of file

From 2f1ade175847a703c66c0457af9c5a7203766a48 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 13 Nov 2023 18:45:40 +0000
Subject: [PATCH 249/318] Added config.json.

---
 examples/Chapman/config.json | 6 ++++++
 1 file changed, 6 insertions(+)
 create mode 100644 examples/Chapman/config.json

diff --git a/examples/Chapman/config.json b/examples/Chapman/config.json
new file mode 100644
index 000000000..04d0ef289
--- /dev/null
+++ b/examples/Chapman/config.json
@@ -0,0 +1,6 @@
+{
+  "camp-files": [
+    "species.json",
+    "reactions.json"
+  ]
+}

From 5190925af72dd8870d056d1170419adcff0b6f68 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 13 Nov 2023 18:54:31 +0000
Subject: [PATCH 250/318] Moved test_Chapman.cpp to test/examples.

---
 examples/Chapman/config.json                  |  7 +-
 .../test_Chapman.cpp}                         |  0
 test/kpp/CMakeLists.txt                       | 21 ----
 test/kpp/configs/kpp_chapman/config.json      |  1 -
 test/kpp/configs/kpp_chapman/reactions.json   | 97 -------------------
 test/kpp/configs/kpp_chapman/species.json     | 29 ------
 6 files changed, 1 insertion(+), 154 deletions(-)
 rename test/{kpp/test_kpp_to_micm.cpp => examples/test_Chapman.cpp} (100%)
 delete mode 100644 test/kpp/CMakeLists.txt
 delete mode 100644 test/kpp/configs/kpp_chapman/config.json
 delete mode 100644 test/kpp/configs/kpp_chapman/reactions.json
 delete mode 100644 test/kpp/configs/kpp_chapman/species.json

diff --git a/examples/Chapman/config.json b/examples/Chapman/config.json
index 04d0ef289..61165b00d 100644
--- a/examples/Chapman/config.json
+++ b/examples/Chapman/config.json
@@ -1,6 +1 @@
-{
-  "camp-files": [
-    "species.json",
-    "reactions.json"
-  ]
-}
+{"camp-files": ["species.json", "reactions.json"]}
diff --git a/test/kpp/test_kpp_to_micm.cpp b/test/examples/test_Chapman.cpp
similarity index 100%
rename from test/kpp/test_kpp_to_micm.cpp
rename to test/examples/test_Chapman.cpp
diff --git a/test/kpp/CMakeLists.txt b/test/kpp/CMakeLists.txt
deleted file mode 100644
index 420b18ca0..000000000
--- a/test/kpp/CMakeLists.txt
+++ /dev/null
@@ -1,21 +0,0 @@
-################################################################################
-# Test utilities
-
-include(test_util)
-
-################################################################################
-# Tests
-
-if(ENABLE_JSON)
-  create_standard_test(NAME kpp_to_micm SOURCES test_kpp_to_micm.cpp)
-endif()
-
-################################################################################
-
-################################################################################
-# Copy test data
-
-add_custom_target(copy_kpp_configs ALL ${CMAKE_COMMAND} -E copy_directory
-  ${CMAKE_CURRENT_SOURCE_DIR}/configs ${CMAKE_BINARY_DIR}/configs)
-
-################################################################################
diff --git a/test/kpp/configs/kpp_chapman/config.json b/test/kpp/configs/kpp_chapman/config.json
deleted file mode 100644
index 61165b00d..000000000
--- a/test/kpp/configs/kpp_chapman/config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"camp-files": ["species.json", "reactions.json"]}
diff --git a/test/kpp/configs/kpp_chapman/reactions.json b/test/kpp/configs/kpp_chapman/reactions.json
deleted file mode 100644
index 85129afe1..000000000
--- a/test/kpp/configs/kpp_chapman/reactions.json
+++ /dev/null
@@ -1,97 +0,0 @@
-{
-    "camp-data": [
-        {
-            "name": "Chapman",
-            "type": "MECHANISM",
-            "reactions": [
-                {
-                    "type": "PHOTOLYSIS",
-                    "reactants": {
-                        "O2": {}
-                    },
-                    "products": {
-                        "O": {
-                            "yield": 2.0
-                        }
-                    },
-                    "MUSICA name": "R1"
-                },
-                {
-                    "type": "ARRHENIUS",
-                    "A": 48.28552461368,
-                    "reactants": {
-                        "O": {},
-                        "O2": {}
-                    },
-                    "products": {
-                        "O3": {}
-                    },
-                    "MUSICA name": "R2"
-                },
-                {
-                    "type": "PHOTOLYSIS",
-                    "reactants": {
-                        "O3": {}
-                    },
-                    "products": {
-                        "O": {},
-                        "O2": {}
-                    },
-                    "MUSICA name": "R3"
-                },
-                {
-                    "type": "ARRHENIUS",
-                    "A": 949.089383776,
-                    "reactants": {
-                        "O": {},
-                        "O3": {}
-                    },
-                    "products": {
-                        "O2": {
-                            "yield": 2.0
-                        }
-                    },
-                    "MUSICA name": "R4"
-                },
-                {
-                    "type": "PHOTOLYSIS",
-                    "reactants": {
-                        "O3": {}
-                    },
-                    "products": {
-                        "O1D": {},
-                        "O2": {}
-                    },
-                    "MUSICA name": "R5"
-                },
-                {
-                    "type": "ARRHENIUS",
-                    "A": 42817420.803600006,
-                    "reactants": {
-                        "O1D": {},
-                        "M": {}
-                    },
-                    "products": {
-                        "O": {},
-                        "M": {}
-                    },
-                    "MUSICA name": "R6"
-                },
-                {
-                    "type": "ARRHENIUS",
-                    "A": 72265689.12,
-                    "reactants": {
-                        "O1D": {},
-                        "O3": {}
-                    },
-                    "products": {
-                        "O2": {
-                            "yield": 2.0
-                        }
-                    },
-                    "MUSICA name": "R7"
-                }
-            ]
-        }
-    ]
-}
\ No newline at end of file
diff --git a/test/kpp/configs/kpp_chapman/species.json b/test/kpp/configs/kpp_chapman/species.json
deleted file mode 100644
index c962907ff..000000000
--- a/test/kpp/configs/kpp_chapman/species.json
+++ /dev/null
@@ -1,29 +0,0 @@
-{
-    "camp-data": [
-        {
-            "name": "M",
-            "type": "CHEM_SPEC",
-            "tracer type": "CONSTANT"
-        },
-        {
-            "name": "O2",
-            "type": "CHEM_SPEC",
-            "tracer type": "CONSTANT"
-        },
-        {
-            "name": "O",
-            "type": "CHEM_SPEC",
-            "absolute tolerance": 1e-12
-        },
-        {
-            "name": "O1D",
-            "type": "CHEM_SPEC",
-            "absolute tolerance": 1e-12
-        },
-        {
-            "name": "O3",
-            "type": "CHEM_SPEC",
-            "absolute tolerance": 1e-12
-        }
-    ]
-}
\ No newline at end of file

From f787bdffb066299f29a4d26bb2bb508940c3bc6f Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 13 Nov 2023 18:55:28 +0000
Subject: [PATCH 251/318] Removed kpp subdir from CMakeLists.txt.

---
 test/CMakeLists.txt | 1 -
 1 file changed, 1 deletion(-)

diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt
index 5c60c6253..e24e29012 100644
--- a/test/CMakeLists.txt
+++ b/test/CMakeLists.txt
@@ -8,4 +8,3 @@ if(ENABLE_JSON)
 add_subdirectory(examples)
 endif()
 add_subdirectory(tutorial)
-add_subdirectory(kpp)

From 3773bfb1399a69091cce1354845a6c62c25f0e06 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 13 Nov 2023 19:04:56 +0000
Subject: [PATCH 252/318] Removed kpp dir, added test_Chapman example.

---
 test/examples/CMakeLists.txt | 1 +
 1 file changed, 1 insertion(+)

diff --git a/test/examples/CMakeLists.txt b/test/examples/CMakeLists.txt
index fdad13e99..bcd85040e 100644
--- a/test/examples/CMakeLists.txt
+++ b/test/examples/CMakeLists.txt
@@ -7,4 +7,5 @@ add_custom_target(copy_example_configs ALL ${CMAKE_COMMAND} -E copy_directory
 ################################################################################
 # Build example tests
 
+create_standard_test(NAME Chapman SOURCES test_Chapman.cpp)
 create_standard_test(NAME TS1 SOURCES test_TS1.cpp)

From 3d4ae6fbde59f4cffda5fa880d02f3be30a85a04 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 13 Nov 2023 19:18:04 +0000
Subject: [PATCH 253/318] Use configs from build/examples/Chapman.

---
 test/examples/test_Chapman.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/test/examples/test_Chapman.cpp b/test/examples/test_Chapman.cpp
index a491bc73a..1a2a633f9 100644
--- a/test/examples/test_Chapman.cpp
+++ b/test/examples/test_Chapman.cpp
@@ -38,7 +38,7 @@ int main(const int argc, const char* argv[])
   micm::SolverConfig solver_config;
 
   // Read and parse the configure files
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./configs/kpp_chapman");
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./examples/Chapman");
 
   if (status != micm::ConfigParseStatus::Success)
   {

From 79425ff8d84918ef3c60b1de3b7216dea7420658 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Mon, 13 Nov 2023 15:57:34 -0600
Subject: [PATCH 254/318] correcting verb? preposition? grammar....

---
 include/micm/util/vector_matrix.hpp | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/include/micm/util/vector_matrix.hpp b/include/micm/util/vector_matrix.hpp
index e1f99d661..edae9ed14 100644
--- a/include/micm/util/vector_matrix.hpp
+++ b/include/micm/util/vector_matrix.hpp
@@ -60,7 +60,7 @@ namespace micm
             [&](T const &elem)
             {
               *iter = elem;
-              // don't iterate passed the end of the vector
+              // don't iterate past the end of the vector
               std::size_t remaining_elements = std::distance(iter, matrix_.data_.end());
               iter += std::min(L, remaining_elements);
             });
@@ -73,7 +73,7 @@ namespace micm
         for (auto &elem : vec)
         {
           elem = *iter;
-          // don't iterate passed the end of the vector
+          // don't iterate past the end of the vector
           std::size_t remaining_elements = std::distance(iter, matrix_.data_.end());
           iter += std::min(L, remaining_elements);
         }
@@ -169,7 +169,7 @@ namespace micm
                   for (auto &elem : other_row)
                   {
                     *iter = elem;
-                    // don't iterate passed the end of the vector
+                    // don't iterate past the end of the vector
                     std::size_t remaining_elements = std::distance(iter, data.end());
                     iter += std::min(L, remaining_elements);
                   }

From 8f05687924ad0d3bced29fac3326e484d0c0118f Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Mon, 13 Nov 2023 15:50:35 -0800
Subject: [PATCH 255/318] convert from OpenAtmos format to SI units

---
 include/micm/configure/solver_config.hpp          | 15 +++++++++++++++
 .../configure/process/test_arrhenius_config.cpp   |  9 ++++++---
 .../configure/process/test_branched_config.cpp    | 11 +++++++----
 .../test_ternary_chemical_activation_config.cpp   |  9 ++++++---
 test/unit/configure/process/test_troe_config.cpp  | 11 +++++++----
 .../configure/process/test_tunneling_config.cpp   |  7 +++++--
 test/unit/configure/test_solver_config.cpp        |  7 +++++++
 7 files changed, 53 insertions(+), 16 deletions(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index a8ff6943e..aee1378a6 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -42,6 +42,8 @@ namespace micm
     MutuallyExclusiveOption
   };
 
+  constexpr double MolesM3ToMoleculesCm3 = 1.0e-6 * 6.02214076e23;
+
   inline std::string configParseStatusToString(const ConfigParseStatus& status)
   {
     switch (status)
@@ -522,6 +524,7 @@ namespace micm
       {
         parameters.A_ = object["A"].get<double>();
       }
+      parameters.A_ *= std::pow(MolesM3ToMoleculesCm3, reactants.second.size()-1);
       if (object.contains("B"))
       {
         parameters.B_ = object["B"].get<double>();
@@ -588,6 +591,8 @@ namespace micm
       {
         parameters.k0_A_ = object["k0_A"].get<double>();
       }
+      // Account for the conversion of reactant concentrations (including M) to molecules cm-3
+      parameters.k0_A_ *= std::pow(MolesM3ToMoleculesCm3, reactants.second.size());
       if (object.contains("k0_B"))
       {
         parameters.k0_B_ = object["k0_B"].get<double>();
@@ -600,6 +605,8 @@ namespace micm
       {
         parameters.kinf_A_ = object["kinf_A"].get<double>();
       }
+      // Account for terms in denominator and exponent that include [M] but not other reactants
+      parameters.kinf_A_ *= std::pow(MolesM3ToMoleculesCm3, reactants.second.size()-1);
       if (object.contains("kinf_B"))
       {
         parameters.kinf_B_ = object["kinf_B"].get<double>();
@@ -656,6 +663,8 @@ namespace micm
       {
         parameters.k0_A_ = object["k0_A"].get<double>();
       }
+      // Account for the conversion of reactant concentrations (including M) to molecules cm-3
+      parameters.k0_A_ *= std::pow(MolesM3ToMoleculesCm3, reactants.second.size()-1);
       if (object.contains("k0_B"))
       {
         parameters.k0_B_ = object["k0_B"].get<double>();
@@ -668,6 +677,8 @@ namespace micm
       {
         parameters.kinf_A_ = object["kinf_A"].get<double>();
       }
+      // Account for terms in denominator and exponent that include [M] but not other reactants
+      parameters.kinf_A_ *= std::pow(MolesM3ToMoleculesCm3, reactants.second.size()-2);
       if (object.contains("kinf_B"))
       {
         parameters.kinf_B_ = object["kinf_B"].get<double>();
@@ -732,6 +743,8 @@ namespace micm
 
       BranchedRateConstantParameters parameters;
       parameters.X_ = object[X].get<double>();
+      // Account for the conversion of reactant concentrations to molecules cm-3
+      parameters.X_ *= std::pow(MolesM3ToMoleculesCm3, reactants.second.size()-1);
       parameters.Y_ = object[Y].get<double>();
       parameters.a0_ = object[A0].get<double>();
       parameters.n_ = object[N].get<int>();
@@ -780,6 +793,8 @@ namespace micm
       {
         parameters.A_ = object["A"].get<double>();
       }
+      // Account for the conversion of reactant concentrations to molecules cm-3
+      parameters.A_ *= std::pow(MolesM3ToMoleculesCm3, reactants.second.size()-1);
       if (object.contains("B"))
       {
         parameters.B_ = object["B"].get<double>();
diff --git a/test/unit/configure/process/test_arrhenius_config.cpp b/test/unit/configure/process/test_arrhenius_config.cpp
index 65837f22e..2840fabf0 100644
--- a/test/unit/configure/process/test_arrhenius_config.cpp
+++ b/test/unit/configure/process/test_arrhenius_config.cpp
@@ -26,6 +26,9 @@ TEST(ArrheniusConfig, ParseConfig)
 
   auto& process_vector = solver_params.processes_;
 
+  // Convert Arrhenius parameters from expecting molecules cm-3 to moles m-3
+  const double conv = 1.0e-6 * 6.02214076e23;
+
   // first reaction
   {
     EXPECT_EQ(process_vector[0].reactants_.size(), 3);
@@ -40,7 +43,7 @@ TEST(ArrheniusConfig, ParseConfig)
     micm::ArrheniusRateConstant* ternary_rate_constant =
         dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[0].rate_constant_.get());
     auto& params = ternary_rate_constant->parameters_;
-    EXPECT_EQ(params.A_, 1.0);
+    EXPECT_EQ(params.A_, 1.0 * conv * conv);
     EXPECT_EQ(params.B_, 0.0);
     EXPECT_EQ(params.C_, 0.0);
     EXPECT_EQ(params.D_, 300);
@@ -60,7 +63,7 @@ TEST(ArrheniusConfig, ParseConfig)
     micm::ArrheniusRateConstant* ternary_rate_constant =
         dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[1].rate_constant_.get());
     auto& params = ternary_rate_constant->parameters_;
-    EXPECT_EQ(params.A_, 32.1);
+    EXPECT_EQ(params.A_, 32.1 * conv);
     EXPECT_EQ(params.B_, -2.3);
     EXPECT_EQ(params.C_, 102.3);
     EXPECT_EQ(params.D_, 63.4);
@@ -80,7 +83,7 @@ TEST(ArrheniusConfig, ParseConfig)
     micm::ArrheniusRateConstant* ternary_rate_constant =
         dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[2].rate_constant_.get());
     auto& params = ternary_rate_constant->parameters_;
-    EXPECT_EQ(params.A_, 32.1);
+    EXPECT_EQ(params.A_, 32.1 * conv);
     EXPECT_EQ(params.B_, -2.3);
     EXPECT_EQ(params.C_, -1 * 2e23 / BOLTZMANN_CONSTANT);
     EXPECT_EQ(params.D_, 63.4);
diff --git a/test/unit/configure/process/test_branched_config.cpp b/test/unit/configure/process/test_branched_config.cpp
index 0e6618167..bae9cb5ca 100644
--- a/test/unit/configure/process/test_branched_config.cpp
+++ b/test/unit/configure/process/test_branched_config.cpp
@@ -27,6 +27,9 @@ TEST(BranchedConfig, ParseConfig)
   auto& process_vector = solver_params.processes_;
   EXPECT_EQ(process_vector.size(), 4);
 
+  // Convert Arrhenius parameters from expecting molecules cm-3 to moles m-3
+  const double conv = 1.0e-6 * 6.02214076e23;
+
   // first reaction
   {
     EXPECT_EQ(process_vector[0].reactants_.size(), 3);
@@ -41,7 +44,7 @@ TEST(BranchedConfig, ParseConfig)
     micm::BranchedRateConstant* branched_rate_constant =
         dynamic_cast<micm::BranchedRateConstant*>(process_vector[0].rate_constant_.get());
     auto& params = branched_rate_constant->parameters_;
-    EXPECT_EQ(params.X_, 12.3);
+    EXPECT_EQ(params.X_, 12.3 * std::pow(conv, 2));
     EXPECT_EQ(params.Y_, 42.3);
     EXPECT_EQ(params.a0_, 1.0e-5);
     EXPECT_EQ(params.n_, 3);
@@ -58,7 +61,7 @@ TEST(BranchedConfig, ParseConfig)
     micm::BranchedRateConstant* branched_rate_constant =
         dynamic_cast<micm::BranchedRateConstant*>(process_vector[1].rate_constant_.get());
     auto& params = branched_rate_constant->parameters_;
-    EXPECT_EQ(params.X_, 12.3);
+    EXPECT_EQ(params.X_, 12.3 * std::pow(conv, 2));
     EXPECT_EQ(params.Y_, 42.3);
     EXPECT_EQ(params.a0_, 1.0e-5);
     EXPECT_EQ(params.n_, 3);
@@ -76,7 +79,7 @@ TEST(BranchedConfig, ParseConfig)
     micm::BranchedRateConstant* branched_rate_constant =
         dynamic_cast<micm::BranchedRateConstant*>(process_vector[2].rate_constant_.get());
     auto& params = branched_rate_constant->parameters_;
-    EXPECT_EQ(params.X_, 0.32);
+    EXPECT_EQ(params.X_, 0.32 * conv);
     EXPECT_EQ(params.Y_, 2.3e8);
     EXPECT_EQ(params.a0_, 0.423);
     EXPECT_EQ(params.n_, 6);
@@ -94,7 +97,7 @@ TEST(BranchedConfig, ParseConfig)
     micm::BranchedRateConstant* branched_rate_constant =
         dynamic_cast<micm::BranchedRateConstant*>(process_vector[3].rate_constant_.get());
     auto& params = branched_rate_constant->parameters_;
-    EXPECT_EQ(params.X_, 0.32);
+    EXPECT_EQ(params.X_, 0.32 * conv);
     EXPECT_EQ(params.Y_, 2.3e8);
     EXPECT_EQ(params.a0_, 0.423);
     EXPECT_EQ(params.n_, 6);
diff --git a/test/unit/configure/process/test_ternary_chemical_activation_config.cpp b/test/unit/configure/process/test_ternary_chemical_activation_config.cpp
index d4a416a16..d51a399ce 100644
--- a/test/unit/configure/process/test_ternary_chemical_activation_config.cpp
+++ b/test/unit/configure/process/test_ternary_chemical_activation_config.cpp
@@ -25,6 +25,9 @@ TEST(TernaryChemicalActivationConfig, ParseConfig)
 
   auto& process_vector = solver_params.processes_;
 
+  // Convert Arrhenius parameters from expecting molecules cm-3 to moles m-3
+  const double conv = 1.0e-6 * 6.02214076e23;
+
   // first reaction
   {
     EXPECT_EQ(process_vector[0].reactants_.size(), 3);
@@ -39,10 +42,10 @@ TEST(TernaryChemicalActivationConfig, ParseConfig)
     micm::TernaryChemicalActivationRateConstant* ternary_rate_constant =
         dynamic_cast<micm::TernaryChemicalActivationRateConstant*>(process_vector[0].rate_constant_.get());
     auto& params = ternary_rate_constant->parameters_;
-    EXPECT_EQ(params.k0_A_, 1.0);
+    EXPECT_EQ(params.k0_A_, 1.0 * conv * conv);
     EXPECT_EQ(params.k0_B_, 0.0);
     EXPECT_EQ(params.k0_C_, 0.0);
-    EXPECT_EQ(params.kinf_A_, 1.0);
+    EXPECT_EQ(params.kinf_A_, 1.0 * conv);
     EXPECT_EQ(params.kinf_B_, 0.0);
     EXPECT_EQ(params.kinf_C_, 0.0);
     EXPECT_EQ(params.Fc_, 0.6);
@@ -62,7 +65,7 @@ TEST(TernaryChemicalActivationConfig, ParseConfig)
     micm::TernaryChemicalActivationRateConstant* ternary_rate_constant =
         dynamic_cast<micm::TernaryChemicalActivationRateConstant*>(process_vector[1].rate_constant_.get());
     auto& params = ternary_rate_constant->parameters_;
-    EXPECT_EQ(params.k0_A_, 32.1);
+    EXPECT_EQ(params.k0_A_, 32.1 * conv);
     EXPECT_EQ(params.k0_B_, -2.3);
     EXPECT_EQ(params.k0_C_, 102.3);
     EXPECT_EQ(params.kinf_A_, 63.4);
diff --git a/test/unit/configure/process/test_troe_config.cpp b/test/unit/configure/process/test_troe_config.cpp
index f7631359e..58a80d835 100644
--- a/test/unit/configure/process/test_troe_config.cpp
+++ b/test/unit/configure/process/test_troe_config.cpp
@@ -24,6 +24,9 @@ TEST(TroeConfig, ParseConfig)
 
   auto& process_vector = solver_params.processes_;
 
+  // Convert Arrhenius parameters from expecting molecules cm-3 to moles m-3
+  const double conv = 1.0e-6 * 6.02214076e23;
+  
   // first reaction
   {
     EXPECT_EQ(process_vector[0].reactants_.size(), 3);
@@ -38,10 +41,10 @@ TEST(TroeConfig, ParseConfig)
     micm::TroeRateConstant* ternary_rate_constant =
         dynamic_cast<micm::TroeRateConstant*>(process_vector[0].rate_constant_.get());
     auto& params = ternary_rate_constant->parameters_;
-    EXPECT_EQ(params.k0_A_, 1.0);
+    EXPECT_EQ(params.k0_A_, 1.0 * std::pow(conv, 3));
     EXPECT_EQ(params.k0_B_, 0.0);
     EXPECT_EQ(params.k0_C_, 0.0);
-    EXPECT_EQ(params.kinf_A_, 1.0);
+    EXPECT_EQ(params.kinf_A_, 1.0 * std::pow(conv, 2));
     EXPECT_EQ(params.kinf_B_, 0.0);
     EXPECT_EQ(params.kinf_C_, 0.0);
     EXPECT_EQ(params.Fc_, 0.6);
@@ -61,10 +64,10 @@ TEST(TroeConfig, ParseConfig)
     micm::TroeRateConstant* ternary_rate_constant =
         dynamic_cast<micm::TroeRateConstant*>(process_vector[1].rate_constant_.get());
     auto& params = ternary_rate_constant->parameters_;
-    EXPECT_EQ(params.k0_A_, 32.1);
+    EXPECT_EQ(params.k0_A_, 32.1 * std::pow(conv, 2));
     EXPECT_EQ(params.k0_B_, -2.3);
     EXPECT_EQ(params.k0_C_, 102.3);
-    EXPECT_EQ(params.kinf_A_, 63.4);
+    EXPECT_EQ(params.kinf_A_, 63.4 * conv);
     EXPECT_EQ(params.kinf_B_, -1.3);
     EXPECT_EQ(params.kinf_C_, 908.5);
     EXPECT_EQ(params.Fc_, 1.3);
diff --git a/test/unit/configure/process/test_tunneling_config.cpp b/test/unit/configure/process/test_tunneling_config.cpp
index ca77fdb26..ee329a888 100644
--- a/test/unit/configure/process/test_tunneling_config.cpp
+++ b/test/unit/configure/process/test_tunneling_config.cpp
@@ -24,6 +24,9 @@ TEST(TunnelingConfig, ParseConfig)
 
   auto& process_vector = solver_params.processes_;
 
+  // Convert Arrhenius parameters from expecting molecules cm-3 to moles m-3
+  const double conv = 1.0e-6 * 6.02214076e23;
+  
   // first reaction
   {
     EXPECT_EQ(process_vector[0].reactants_.size(), 3);
@@ -38,7 +41,7 @@ TEST(TunnelingConfig, ParseConfig)
     micm::TunnelingRateConstant* tunneling_rate_constant =
         dynamic_cast<micm::TunnelingRateConstant*>(process_vector[0].rate_constant_.get());
     auto& params = tunneling_rate_constant->parameters_;
-    EXPECT_EQ(params.A_, 1.0);
+    EXPECT_EQ(params.A_, 1.0 * conv * conv);
     EXPECT_EQ(params.B_, 0.0);
     EXPECT_EQ(params.C_, 0.0);
   }
@@ -56,7 +59,7 @@ TEST(TunnelingConfig, ParseConfig)
     micm::TunnelingRateConstant* tunneling_rate_constant =
         dynamic_cast<micm::TunnelingRateConstant*>(process_vector[1].rate_constant_.get());
     auto& params = tunneling_rate_constant->parameters_;
-    EXPECT_EQ(params.A_, 32.1);
+    EXPECT_EQ(params.A_, 32.1 * conv);
     EXPECT_EQ(params.B_, -2.3);
     EXPECT_EQ(params.C_, 102.3);
   }
diff --git a/test/unit/configure/test_solver_config.cpp b/test/unit/configure/test_solver_config.cpp
index cf229a0b7..1f673acbe 100644
--- a/test/unit/configure/test_solver_config.cpp
+++ b/test/unit/configure/test_solver_config.cpp
@@ -110,6 +110,13 @@ TEST(SolverConfig, ReadAndParseProcessObjects)
   double D_param[] = { 300.0, 300.0, 300.0, 300.0 };
   double E_param[] = { 0.0, 0.0, 0.0, 0.0 };
 
+  // Convert Arrhenius parameters from expecting molecules cm-3 to moles m-3
+  const double conv = 1.0e-6 * 6.02214076e23;
+  A_param[0] *= conv; // 2 reactants
+  A_param[1] *= conv; // 2 reactants
+  A_param[2] *= conv; // 2 reactants
+  A_param[3] *= conv * conv; // 3 reactants
+
   for (short i = 3; i < 7; i++)
   {
     arrhenius_rate_const = dynamic_cast<micm::ArrheniusRateConstant*>(process_vector[i].rate_constant_.get());

From bc9993e682bf4075c42230090043912a5a84c520 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Mon, 13 Nov 2023 16:27:20 -0800
Subject: [PATCH 256/318] modify tests for some round-off differences with
 NVHPC compiler

---
 test/unit/configure/process/test_troe_config.cpp | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/test/unit/configure/process/test_troe_config.cpp b/test/unit/configure/process/test_troe_config.cpp
index 58a80d835..b643a7ad7 100644
--- a/test/unit/configure/process/test_troe_config.cpp
+++ b/test/unit/configure/process/test_troe_config.cpp
@@ -41,7 +41,8 @@ TEST(TroeConfig, ParseConfig)
     micm::TroeRateConstant* ternary_rate_constant =
         dynamic_cast<micm::TroeRateConstant*>(process_vector[0].rate_constant_.get());
     auto& params = ternary_rate_constant->parameters_;
-    EXPECT_EQ(params.k0_A_, 1.0 * std::pow(conv, 3));
+    // NVHPC compiler has some round-off error
+    EXPECT_NEAR(params.k0_A_, 1.0 * std::pow(conv, 3), std::pow(conv, 3) * 1e-12);
     EXPECT_EQ(params.k0_B_, 0.0);
     EXPECT_EQ(params.k0_C_, 0.0);
     EXPECT_EQ(params.kinf_A_, 1.0 * std::pow(conv, 2));

From 27508239d33d18385f648147037d5f462f640499 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Tue, 14 Nov 2023 21:28:28 +0000
Subject: [PATCH 257/318] Changed reactions.json units to non-SI.

---
 examples/Chapman/reactions.json | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/examples/Chapman/reactions.json b/examples/Chapman/reactions.json
index 85129afe1..f37fd2030 100644
--- a/examples/Chapman/reactions.json
+++ b/examples/Chapman/reactions.json
@@ -18,7 +18,7 @@
                 },
                 {
                     "type": "ARRHENIUS",
-                    "A": 48.28552461368,
+                    "A": 8.018e-17,
                     "reactants": {
                         "O": {},
                         "O2": {}
@@ -41,7 +41,7 @@
                 },
                 {
                     "type": "ARRHENIUS",
-                    "A": 949.089383776,
+                    "A": 1.576e-15,
                     "reactants": {
                         "O": {},
                         "O3": {}
@@ -66,7 +66,7 @@
                 },
                 {
                     "type": "ARRHENIUS",
-                    "A": 42817420.803600006,
+                    "A": 7.11e-11,
                     "reactants": {
                         "O1D": {},
                         "M": {}
@@ -79,7 +79,7 @@
                 },
                 {
                     "type": "ARRHENIUS",
-                    "A": 72265689.12,
+                    "A": 1.2e-10,
                     "reactants": {
                         "O1D": {},
                         "O3": {}
@@ -94,4 +94,4 @@
             ]
         }
     ]
-}
\ No newline at end of file
+}

From 6beb6128926be4d522e35f4d1032cceea4f7920b Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 14 Nov 2023 16:07:20 -0600
Subject: [PATCH 258/318] started vectorized matrix tutorial

---
 docs/source/user_guide/index.rst              |   1 +
 .../user_guide/vectorized_matrix_solver.rst   |  87 +++++++++++++
 test/tutorial/CMakeLists.txt                  |   1 +
 .../test_vectorized_matrix_solver.cpp         | 116 ++++++++++++++++++
 4 files changed, 205 insertions(+)
 create mode 100644 docs/source/user_guide/vectorized_matrix_solver.rst
 create mode 100644 test/tutorial/test_vectorized_matrix_solver.cpp

diff --git a/docs/source/user_guide/index.rst b/docs/source/user_guide/index.rst
index 064955a8b..2670c6aa2 100644
--- a/docs/source/user_guide/index.rst
+++ b/docs/source/user_guide/index.rst
@@ -48,3 +48,4 @@ If you would like to include the json examples, you must configure micm to build
    but_how_fast_is_it
    openmp
    jit
+   vectorized_matrix_solver
diff --git a/docs/source/user_guide/vectorized_matrix_solver.rst b/docs/source/user_guide/vectorized_matrix_solver.rst
new file mode 100644
index 000000000..4c849d489
--- /dev/null
+++ b/docs/source/user_guide/vectorized_matrix_solver.rst
@@ -0,0 +1,87 @@
+.. _Vectorized matrix solver:
+
+Vectorized matrix solver
+########################
+
+Many of the tutorials have defined a chemical system without talking about their location. Each of these is essentially
+defining a `box model <https://en.wikipedia.org/wiki/Climate_model#Box_models>`_. We often want to model chemistry
+in more than one location; multiple boxes. In weather and climate models, the domain is broken up into grids 2d or 3d grids.
+Each location may be referred to as a grid cell or column. With ``micm``, we can solve multiple grid cells simultaneously in
+several ways.
+
+
+The tutorials listed below solve chemistry in more than one grid cell.
+
+* :ref:`Multiple grid cells`, this tutorial does so with a different data structure
+* :ref:`OpenMP`, this tutorial uses a single thread per grid cell
+
+
+In :ref:`Multiple grid cells` we assumed we were solving for the concentrations of an :math:`N\times D` matrix, :math:`N` species and 
+:math:`D` grid cells. However, we used the default matrix ordering in that tutorial. This is fine for simulations that aren't
+too large, but computationally may be inferior. This is because the same species appears in each grid cell, :math:`N` elements
+away from each other in memory. When solving the chemical equations, the same mathematical operations have to be applied to each
+species. We can organize the memory of the matrix so that the same species across all :math:`D` grid cells are directly next
+to each other in memory. In this way, we help to encourage the compiler to vectorize the code and take advantage of 
+`SIMD instructions <https://en.wikipedia.org/wiki/Single_instruction,_multiple_data>`_.
+
+Organizing the data this way may be familiar to GPU programmers as
+`coalesced memory access <https://www.sciencedirect.com/topics/computer-science/memory-access-coalescing>`_.
+
+To understand this, we'll look at how the memeory is organized when solving the robertson equations with 3 grid cells using
+the various matrix types and ordering in ``micm``.
+
+.. math::
+
+  A &\longrightarrow B, &k_{1, \mathrm{user\ defined}} \\
+  2B &\longrightarrow B + C, &k_{2, \mathrm{user\ defined}} \\
+  B + C &\longrightarrow A + C, \qquad &k_{3, \mathrm{user\ defined}} \\
+
+
+This entire example is contained below. Copy and paste to follow along.
+
+.. tab-set::
+
+    .. tab-item:: Build the Mechanism with the API
+
+        .. literalinclude:: ../../../test/tutorial/test_vectorized_matrix_solver.cpp
+          :language: cpp
+
+
+Matrix types in micm
+--------------------
+
+``micm`` has its own matrix types, each providing a separate data layout. The data layouts are meant to provide efficient access
+such that cache misses are minimized. This is done by placing all of the data into a contiguous vector, and optionally imposing
+some sort of ordering on the data, like grouping species across gridcells together in memory. 
+
+
+The dimensions of all ``micm``
+matrices are :math:`\mathrm{number\ of\ grid\ cells} \times \mathrm{number\ of\ species}`
+
+* :cpp:class:`micm::Matrix`, a dense matrix, what you probably think of when you think of a matrix, with the caveat that all rows and columns live in one long array
+
+* :cpp:class:`micm::VectorMatrix`, the matrix type of interest here, where the data is ordered such that species across grid cells lie beside each other in memory
+
+* :cpp:class:`micm::SparseMatrix`, a `sparse matrix <https://en.wikipedia.org/wiki/Sparse_matrix>`_ data structure
+
+   * The sparse matrix also allows you to specify wether the data is ordered as a regular dense matrix, with zeros removed, or with a vectorized ordering, the topic of this tutorial.
+
+      * :cpp:class:`micm::SparseMatrixStandardOrdering`
+
+      * :cpp:class:`micm::SparseMatrixVectorOrdering`
+
+Regular, dense matrix ordering
+^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+Up until now, we've mostly created our :cpp:class:`micm::RosenbrockSolver` solvers like this:
+
+.. code-block:: cpp
+   
+     RosenbrockSolver<> solver{ System(SystemParameters{ .gas_phase_ = gas_phase }),
+                             std::vector<Process>{ r1, r2, r3 },
+                             RosenbrockSolverParameters::three_stage_rosenbrock_parameters(3, false) };
+
+The empty angle brackets ``<>`` tell the compiler to use the default template paramters. The first two are most important and
+denote the ``MatrixPolicy`` and ``SparseMatrixPolicy`` to be used when we solve. By default, these are :cpp:class:`micm::Matrix`
+and :cpp:class:`micm::SparseMatrix`. The most visible data affected by these paratemeters is the state's 
+:cpp:member:`micm::State::variables_` parameter, representing the concnetration of each of the species. 
\ No newline at end of file
diff --git a/test/tutorial/CMakeLists.txt b/test/tutorial/CMakeLists.txt
index 9c3f7a0bf..825f9d15b 100644
--- a/test/tutorial/CMakeLists.txt
+++ b/test/tutorial/CMakeLists.txt
@@ -13,6 +13,7 @@ create_standard_test(NAME multiple_grid_cells SOURCES test_multiple_grid_cells.c
 create_standard_test(NAME rate_constants_no_user_defined_example_by_hand SOURCES test_rate_constants_no_user_defined_by_hand.cpp)
 create_standard_test(NAME rate_constants_user_defined_example_by_hand SOURCES test_rate_constants_user_defined_by_hand.cpp)
 create_standard_test(NAME solver_configuration SOURCES test_solver_configuration.cpp)
+create_standard_test(NAME vectorized_matrix_solver SOURCES test_vectorized_matrix_solver.cpp)
 if(ENABLE_JSON)
   create_standard_test(NAME rate_constants_no_user_defined_example_with_config SOURCES test_rate_constants_no_user_defined_with_config.cpp)
   create_standard_test(NAME rate_constants_user_defined_example_with_config SOURCES test_rate_constants_user_defined_with_config.cpp)
diff --git a/test/tutorial/test_vectorized_matrix_solver.cpp b/test/tutorial/test_vectorized_matrix_solver.cpp
new file mode 100644
index 000000000..3fa387a0d
--- /dev/null
+++ b/test/tutorial/test_vectorized_matrix_solver.cpp
@@ -0,0 +1,116 @@
+#include <chrono>
+#include <iomanip>
+#include <iostream>
+#include <micm/process/user_defined_rate_constant.hpp>
+#include <micm/solver/rosenbrock.hpp>
+#include <micm/util/matrix.hpp>
+#include <micm/util/sparse_matrix.hpp>
+#include <micm/util/sparse_matrix_vector_ordering.hpp>
+#include <micm/util/vector_matrix.hpp>
+
+// Use our namespace so that this example is easier to read
+using namespace micm;
+
+template<typename T>
+using Group3Matrix = micm::VectorMatrix<T, 3>;
+
+template<typename T>
+using Group3SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<3>>;
+
+int main()
+{
+  auto a = Species("A");
+  auto b = Species("B");
+  auto c = Species("C");
+
+  Phase gas_phase{ std::vector<Species>{ a, b, c } };
+
+  Process r1 = Process::create()
+                   .reactants({ a })
+                   .products({ yields(b, 1) })
+                   .rate_constant(UserDefinedRateConstant({ .label_ = "r1" }))
+                   .phase(gas_phase);
+
+  Process r2 = Process::create()
+                   .reactants({ b, b })
+                   .products({ yields(b, 1), yields(c, 1) })
+                   .rate_constant(UserDefinedRateConstant({ .label_ = "r2" }))
+                   .phase(gas_phase);
+
+  Process r3 = Process::create()
+                   .reactants({ b, c })
+                   .products({ yields(a, 1), yields(c, 1) })
+                   .rate_constant(UserDefinedRateConstant({ .label_ = "r3" }))
+                   .phase(gas_phase);
+
+  auto params = RosenbrockSolverParameters::three_stage_rosenbrock_parameters(3, false);
+
+  RosenbrockSolver<> solver{ System(SystemParameters{ .gas_phase_ = gas_phase }),
+                             std::vector<Process>{ r1, r2, r3 },
+                             params };
+
+  auto state = solver.GetState();
+
+  // mol m-3
+  state.SetConcentration(a, std::vector<double>(3, 1));
+  state.SetConcentration(b, std::vector<double>(3, 2));
+  state.SetConcentration(c, std::vector<double>(3, 3));
+
+  for (auto& elem : state.variables_.AsVector())
+  {
+    std::cout << elem << std::endl;
+  }
+
+  std::cout << std::endl;
+
+  RosenbrockSolver<Group3Matrix, Group3SparseVectorMatrix> vectorized_solver{
+    System(SystemParameters{ .gas_phase_ = gas_phase }), std::vector<Process>{ r1, r2, r3 }, params
+  };
+
+  auto vectorized_state = solver.GetState();
+
+  // mol m-3
+  vectorized_state.SetConcentration(a, std::vector<double>(3, 1));
+  vectorized_state.SetConcentration(b, std::vector<double>(3, 2));
+  vectorized_state.SetConcentration(c, std::vector<double>(3, 3));
+
+  for (auto& elem : vectorized_state.variables_.AsVector())
+  {
+    std::cout << elem << std::endl;
+  }
+
+  // double k1 = 0.04;
+  // double k2 = 3e7;
+  // double k3 = 1e4;
+  // state.SetCustomRateParameter("r1", std::vector<double>(3, k1));
+  // state.SetCustomRateParameter("r2", std::vector<double>(3, k2));
+  // state.SetCustomRateParameter("r3", std::vector<double>(3, k3));
+
+  // double temperature = 272.5;  // [K]
+  // double pressure = 101253.3;  // [Pa]
+  // double air_density = 1e6;    // [mol m-3]
+
+  // for (size_t cell = 0; cell < solver.parameters_.number_of_grid_cells_; ++cell)
+  // {
+  //   state.conditions_[cell].temperature_ = temperature;
+  //   state.conditions_[cell].pressure_ = pressure;
+  //   state.conditions_[cell].air_density_ = air_density;
+  // }
+
+  // // choose a timestep and print the initial state
+  // double time_step = 200;  // s
+
+  // auto result = solver.Solve(time_step, state);
+
+  // for (int i = 0; i < 10; ++i)
+  // {
+  //   double elapsed_solve_time = 0;
+  //   while (elapsed_solve_time < time_step)
+  //   {
+  //     auto result = solver.Solve(time_step - elapsed_solve_time, state);
+  //     elapsed_solve_time = result.final_time_;
+  //     state.variables_[0] = result.result_.AsVector();
+  //   }
+
+  // }
+}
\ No newline at end of file

From 312a4c1ebab465de365e816730876e2619660177 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 14 Nov 2023 16:36:05 -0600
Subject: [PATCH 259/318] maybe finished?

---
 .../user_guide/vectorized_matrix_solver.rst   | 60 +++++++++++++++++--
 .../test_vectorized_matrix_solver.cpp         | 18 +++---
 2 files changed, 63 insertions(+), 15 deletions(-)

diff --git a/docs/source/user_guide/vectorized_matrix_solver.rst b/docs/source/user_guide/vectorized_matrix_solver.rst
index 4c849d489..b2d44c517 100644
--- a/docs/source/user_guide/vectorized_matrix_solver.rst
+++ b/docs/source/user_guide/vectorized_matrix_solver.rst
@@ -75,13 +75,61 @@ Regular, dense matrix ordering
 
 Up until now, we've mostly created our :cpp:class:`micm::RosenbrockSolver` solvers like this:
 
-.. code-block:: cpp
-   
-     RosenbrockSolver<> solver{ System(SystemParameters{ .gas_phase_ = gas_phase }),
-                             std::vector<Process>{ r1, r2, r3 },
-                             RosenbrockSolverParameters::three_stage_rosenbrock_parameters(3, false) };
+.. literalinclude:: ../../../test/tutorial/test_vectorized_matrix_solver.cpp
+  :language: cpp
+  :lines: 46-50
 
 The empty angle brackets ``<>`` tell the compiler to use the default template paramters. The first two are most important and
 denote the ``MatrixPolicy`` and ``SparseMatrixPolicy`` to be used when we solve. By default, these are :cpp:class:`micm::Matrix`
 and :cpp:class:`micm::SparseMatrix`. The most visible data affected by these paratemeters is the state's 
-:cpp:member:`micm::State::variables_` parameter, representing the concnetration of each of the species. 
\ No newline at end of file
+:cpp:member:`micm::State::variables_` parameter, representing the concnetration of each of the species. 
+
+After we created that first ``solver``, if we get a state and set the concentration of the species and then print them,
+they are printed in order of grid cell first and then species. Here, when setting the species, read the double as ``grid cell.species``.
+
+.. literalinclude:: ../../../test/tutorial/test_vectorized_matrix_solver.cpp
+  :language: cpp
+  :lines: 52-61
+
+.. code-block:: bash
+
+  1.1
+  1.2
+  1.3
+  2.1
+  2.2
+  2.3
+  3.1
+  3.2
+  3.3
+
+But, if we create a vectorized solver, set the same concentrations and print out the state variables, we see that it is organized
+first by species and then by grid cell. Note that we needed to set some partial template speciailizations at the top of the file
+to create thise.
+
+At the top of the file:
+
+.. literalinclude:: ../../../test/tutorial/test_vectorized_matrix_solver.cpp
+  :language: cpp
+  :lines: 14-18
+
+and the vectorized solver creation
+
+.. literalinclude:: ../../../test/tutorial/test_vectorized_matrix_solver.cpp
+  :language: cpp
+  :lines: 65-78
+
+.. code-block:: bash
+
+  1.1
+  2.1
+  3.1
+  1.2
+  2.2
+  3.2
+  1.3
+  2.3
+  3.3
+
+And that's all you have to do to orgnaize the data by species first. By specifying the template parameter on the 
+solver, each operation will use the same ordering for all of the data sets needed to solver the chemical system.
\ No newline at end of file
diff --git a/test/tutorial/test_vectorized_matrix_solver.cpp b/test/tutorial/test_vectorized_matrix_solver.cpp
index 3fa387a0d..dd2e6a1c2 100644
--- a/test/tutorial/test_vectorized_matrix_solver.cpp
+++ b/test/tutorial/test_vectorized_matrix_solver.cpp
@@ -51,10 +51,9 @@ int main()
 
   auto state = solver.GetState();
 
-  // mol m-3
-  state.SetConcentration(a, std::vector<double>(3, 1));
-  state.SetConcentration(b, std::vector<double>(3, 2));
-  state.SetConcentration(c, std::vector<double>(3, 3));
+  state.SetConcentration(a, {1.1, 2.1, 3.1});
+  state.SetConcentration(b, {1.2, 2.2, 3.2});
+  state.SetConcentration(c, {1.3, 2.3, 3.3});
 
   for (auto& elem : state.variables_.AsVector())
   {
@@ -67,18 +66,19 @@ int main()
     System(SystemParameters{ .gas_phase_ = gas_phase }), std::vector<Process>{ r1, r2, r3 }, params
   };
 
-  auto vectorized_state = solver.GetState();
+  auto vectorized_state = vectorized_solver.GetState();
 
-  // mol m-3
-  vectorized_state.SetConcentration(a, std::vector<double>(3, 1));
-  vectorized_state.SetConcentration(b, std::vector<double>(3, 2));
-  vectorized_state.SetConcentration(c, std::vector<double>(3, 3));
+  vectorized_state.SetConcentration(a, {1.1, 2.1, 3.1});
+  vectorized_state.SetConcentration(b, {1.2, 2.2, 3.2});
+  vectorized_state.SetConcentration(c, {1.3, 2.3, 3.3});
 
   for (auto& elem : vectorized_state.variables_.AsVector())
   {
     std::cout << elem << std::endl;
   }
 
+  std::cout << std::endl;
+
   // double k1 = 0.04;
   // double k2 = 3e7;
   // double k3 = 1e4;

From 8565b41a4f7ccb32af58ac56e62745d4fc2494e7 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 14 Nov 2023 16:55:10 -0600
Subject: [PATCH 260/318] pretty print the result and run the solver

---
 .../user_guide/vectorized_matrix_solver.rst   |  34 +++++-
 .../test_vectorized_matrix_solver.cpp         | 111 ++++++++++--------
 2 files changed, 95 insertions(+), 50 deletions(-)

diff --git a/docs/source/user_guide/vectorized_matrix_solver.rst b/docs/source/user_guide/vectorized_matrix_solver.rst
index b2d44c517..76f62f277 100644
--- a/docs/source/user_guide/vectorized_matrix_solver.rst
+++ b/docs/source/user_guide/vectorized_matrix_solver.rst
@@ -77,7 +77,7 @@ Up until now, we've mostly created our :cpp:class:`micm::RosenbrockSolver` solve
 
 .. literalinclude:: ../../../test/tutorial/test_vectorized_matrix_solver.cpp
   :language: cpp
-  :lines: 46-50
+  :lines: 86
 
 The empty angle brackets ``<>`` tell the compiler to use the default template paramters. The first two are most important and
 denote the ``MatrixPolicy`` and ``SparseMatrixPolicy`` to be used when we solve. By default, these are :cpp:class:`micm::Matrix`
@@ -89,7 +89,7 @@ they are printed in order of grid cell first and then species. Here, when settin
 
 .. literalinclude:: ../../../test/tutorial/test_vectorized_matrix_solver.cpp
   :language: cpp
-  :lines: 52-61
+  :lines: 88-97
 
 .. code-block:: bash
 
@@ -117,7 +117,7 @@ and the vectorized solver creation
 
 .. literalinclude:: ../../../test/tutorial/test_vectorized_matrix_solver.cpp
   :language: cpp
-  :lines: 65-78
+  :lines: 101-112
 
 .. code-block:: bash
 
@@ -132,4 +132,30 @@ and the vectorized solver creation
   3.3
 
 And that's all you have to do to orgnaize the data by species first. By specifying the template parameter on the 
-solver, each operation will use the same ordering for all of the data sets needed to solver the chemical system.
\ No newline at end of file
+solver, each operation will use the same ordering for all of the data sets needed to solver the chemical system.
+
+You can use the vectorized just as you would the regular solver, and in fact the same output is produced.
+
+.. literalinclude:: ../../../test/tutorial/test_vectorized_matrix_solver.cpp
+  :language: cpp
+  :lines: 116-134
+
+.. code-block:: bash
+
+  Cell 0
+   Species             Regular          Vectorized
+         A             1.02174             1.02174
+         B         1.58226e-06         1.58226e-06
+         C             2.57826             2.57826
+
+  Cell 1
+    Species             Regular          Vectorized
+          A             2.01153             2.01153
+          B         1.75155e-06         1.75155e-06
+          C             4.58846             4.58846
+
+  Cell 2
+    Species             Regular          Vectorized
+          A              3.0096              3.0096
+          B         1.82514e-06         1.82514e-06
+          C              6.5904              6.5904
\ No newline at end of file
diff --git a/test/tutorial/test_vectorized_matrix_solver.cpp b/test/tutorial/test_vectorized_matrix_solver.cpp
index dd2e6a1c2..6f6c21143 100644
--- a/test/tutorial/test_vectorized_matrix_solver.cpp
+++ b/test/tutorial/test_vectorized_matrix_solver.cpp
@@ -17,6 +17,42 @@ using Group3Matrix = micm::VectorMatrix<T, 3>;
 template<typename T>
 using Group3SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<3>>;
 
+void solve(auto& solver, auto& state)
+{
+  double k1 = 0.04;
+  double k2 = 3e7;
+  double k3 = 1e4;
+  state.SetCustomRateParameter("r1", std::vector<double>(3, k1));
+  state.SetCustomRateParameter("r2", std::vector<double>(3, k2));
+  state.SetCustomRateParameter("r3", std::vector<double>(3, k3));
+
+  double temperature = 272.5;  // [K]
+  double pressure = 101253.3;  // [Pa]
+  double air_density = 1e6;    // [mol m-3]
+
+  for (size_t cell = 0; cell < solver.parameters_.number_of_grid_cells_; ++cell)
+  {
+    state.conditions_[cell].temperature_ = temperature;
+    state.conditions_[cell].pressure_ = pressure;
+    state.conditions_[cell].air_density_ = air_density;
+  }
+
+  double time_step = 100;  // s
+
+  auto result = solver.Solve(time_step, state);
+
+  for (int i = 0; i < 10; ++i)
+  {
+    double elapsed_solve_time = 0;
+    while (elapsed_solve_time < time_step)
+    {
+      auto result = solver.Solve(time_step - elapsed_solve_time, state);
+      elapsed_solve_time = result.final_time_;
+      state.variables_ = result.result_;
+    }
+  }
+}
+
 int main()
 {
   auto a = Species("A");
@@ -44,16 +80,16 @@ int main()
                    .phase(gas_phase);
 
   auto params = RosenbrockSolverParameters::three_stage_rosenbrock_parameters(3, false);
+  auto system = System(SystemParameters{ .gas_phase_ = gas_phase });
+  auto reactions = std::vector<Process>{ r1, r2, r3 };
 
-  RosenbrockSolver<> solver{ System(SystemParameters{ .gas_phase_ = gas_phase }),
-                             std::vector<Process>{ r1, r2, r3 },
-                             params };
+  RosenbrockSolver<> solver{ system, reactions, params };
 
   auto state = solver.GetState();
 
-  state.SetConcentration(a, {1.1, 2.1, 3.1});
-  state.SetConcentration(b, {1.2, 2.2, 3.2});
-  state.SetConcentration(c, {1.3, 2.3, 3.3});
+  state.SetConcentration(a, { 1.1, 2.1, 3.1 });
+  state.SetConcentration(b, { 1.2, 2.2, 3.2 });
+  state.SetConcentration(c, { 1.3, 2.3, 3.3 });
 
   for (auto& elem : state.variables_.AsVector())
   {
@@ -62,15 +98,13 @@ int main()
 
   std::cout << std::endl;
 
-  RosenbrockSolver<Group3Matrix, Group3SparseVectorMatrix> vectorized_solver{
-    System(SystemParameters{ .gas_phase_ = gas_phase }), std::vector<Process>{ r1, r2, r3 }, params
-  };
+  RosenbrockSolver<Group3Matrix, Group3SparseVectorMatrix> vectorized_solver{ system, reactions, params };
 
   auto vectorized_state = vectorized_solver.GetState();
 
-  vectorized_state.SetConcentration(a, {1.1, 2.1, 3.1});
-  vectorized_state.SetConcentration(b, {1.2, 2.2, 3.2});
-  vectorized_state.SetConcentration(c, {1.3, 2.3, 3.3});
+  vectorized_state.SetConcentration(a, { 1.1, 2.1, 3.1 });
+  vectorized_state.SetConcentration(b, { 1.2, 2.2, 3.2 });
+  vectorized_state.SetConcentration(c, { 1.3, 2.3, 3.3 });
 
   for (auto& elem : vectorized_state.variables_.AsVector())
   {
@@ -79,38 +113,23 @@ int main()
 
   std::cout << std::endl;
 
-  // double k1 = 0.04;
-  // double k2 = 3e7;
-  // double k3 = 1e4;
-  // state.SetCustomRateParameter("r1", std::vector<double>(3, k1));
-  // state.SetCustomRateParameter("r2", std::vector<double>(3, k2));
-  // state.SetCustomRateParameter("r3", std::vector<double>(3, k3));
-
-  // double temperature = 272.5;  // [K]
-  // double pressure = 101253.3;  // [Pa]
-  // double air_density = 1e6;    // [mol m-3]
-
-  // for (size_t cell = 0; cell < solver.parameters_.number_of_grid_cells_; ++cell)
-  // {
-  //   state.conditions_[cell].temperature_ = temperature;
-  //   state.conditions_[cell].pressure_ = pressure;
-  //   state.conditions_[cell].air_density_ = air_density;
-  // }
-
-  // // choose a timestep and print the initial state
-  // double time_step = 200;  // s
-
-  // auto result = solver.Solve(time_step, state);
-
-  // for (int i = 0; i < 10; ++i)
-  // {
-  //   double elapsed_solve_time = 0;
-  //   while (elapsed_solve_time < time_step)
-  //   {
-  //     auto result = solver.Solve(time_step - elapsed_solve_time, state);
-  //     elapsed_solve_time = result.final_time_;
-  //     state.variables_[0] = result.result_.AsVector();
-  //   }
-
-  // }
+  solve(solver, state);
+  solve(vectorized_solver, vectorized_state);
+
+  for (size_t cell = 0; cell < params.number_of_grid_cells_; ++cell)
+  {
+    std::cout << "Cell " << cell << std::endl;
+    std::cout << std::setw(10) << "Species" << std::setw(20) << "Regular" << std::setw(20) << "Vectorized" << std::endl;
+
+    for (auto& species : system.UniqueNames())
+    {
+      auto regular_idx = state.variable_map_[species];
+      auto vectorized_idx = vectorized_state.variable_map_[species];
+
+      std::cout << std::setw(10) << species << std::setw(20) << state.variables_[cell][regular_idx] << std::setw(20)
+                << vectorized_state.variables_[cell][vectorized_idx] << std::endl;
+    }
+
+    std::cout << std::endl;
+  }
 }
\ No newline at end of file

From fdce0778e2e5fc3e2c01fc704ff0c56a0b55ebb4 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Tue, 14 Nov 2023 16:56:42 -0600
Subject: [PATCH 261/318] correcting result setting

---
 test/tutorial/test_rate_constants_user_defined_by_hand.cpp     | 2 +-
 test/tutorial/test_rate_constants_user_defined_with_config.cpp | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/test/tutorial/test_rate_constants_user_defined_by_hand.cpp b/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
index ec06f6638..370a5acfd 100644
--- a/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
+++ b/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
@@ -191,7 +191,7 @@ int main(const int argc, const char* argv[])
     {
       auto result = solver.Solve(time_step - elapsed_solve_time, state);
       elapsed_solve_time = result.final_time_;
-      state.variables_[0] = result.result_.AsVector();
+      state.variables_ = result.result_;
     }
 
     print_state(time_step * (i + 1), state);
diff --git a/test/tutorial/test_rate_constants_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_user_defined_with_config.cpp
index fb013fa5d..c9fd6bb53 100644
--- a/test/tutorial/test_rate_constants_user_defined_with_config.cpp
+++ b/test/tutorial/test_rate_constants_user_defined_with_config.cpp
@@ -112,7 +112,7 @@ int main(const int argc, const char* argv[])
     {
       auto result = solver.Solve(time_step - elapsed_solve_time, state);
       elapsed_solve_time = result.final_time_;
-      state.variables_[0] = result.result_.AsVector();
+      state.variables_ = result.result_;
     }
 
     print_state(time_step * (i + 1), state);

From 81fee90c072b6ccec8e1b83d364ba783a58ba8f7 Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Tue, 14 Nov 2023 15:21:34 -0800
Subject: [PATCH 262/318] Auto-format code changes (#360)

Auto-format code using Clang-Format

Co-authored-by: GitHub Actions <actions@github.com>
---
 include/micm/configure/solver_config.hpp             | 12 ++++++------
 test/unit/configure/process/test_troe_config.cpp     |  2 +-
 .../unit/configure/process/test_tunneling_config.cpp |  2 +-
 test/unit/configure/test_solver_config.cpp           |  8 ++++----
 4 files changed, 12 insertions(+), 12 deletions(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index aee1378a6..a23945926 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -524,7 +524,7 @@ namespace micm
       {
         parameters.A_ = object["A"].get<double>();
       }
-      parameters.A_ *= std::pow(MolesM3ToMoleculesCm3, reactants.second.size()-1);
+      parameters.A_ *= std::pow(MolesM3ToMoleculesCm3, reactants.second.size() - 1);
       if (object.contains("B"))
       {
         parameters.B_ = object["B"].get<double>();
@@ -606,7 +606,7 @@ namespace micm
         parameters.kinf_A_ = object["kinf_A"].get<double>();
       }
       // Account for terms in denominator and exponent that include [M] but not other reactants
-      parameters.kinf_A_ *= std::pow(MolesM3ToMoleculesCm3, reactants.second.size()-1);
+      parameters.kinf_A_ *= std::pow(MolesM3ToMoleculesCm3, reactants.second.size() - 1);
       if (object.contains("kinf_B"))
       {
         parameters.kinf_B_ = object["kinf_B"].get<double>();
@@ -664,7 +664,7 @@ namespace micm
         parameters.k0_A_ = object["k0_A"].get<double>();
       }
       // Account for the conversion of reactant concentrations (including M) to molecules cm-3
-      parameters.k0_A_ *= std::pow(MolesM3ToMoleculesCm3, reactants.second.size()-1);
+      parameters.k0_A_ *= std::pow(MolesM3ToMoleculesCm3, reactants.second.size() - 1);
       if (object.contains("k0_B"))
       {
         parameters.k0_B_ = object["k0_B"].get<double>();
@@ -678,7 +678,7 @@ namespace micm
         parameters.kinf_A_ = object["kinf_A"].get<double>();
       }
       // Account for terms in denominator and exponent that include [M] but not other reactants
-      parameters.kinf_A_ *= std::pow(MolesM3ToMoleculesCm3, reactants.second.size()-2);
+      parameters.kinf_A_ *= std::pow(MolesM3ToMoleculesCm3, reactants.second.size() - 2);
       if (object.contains("kinf_B"))
       {
         parameters.kinf_B_ = object["kinf_B"].get<double>();
@@ -744,7 +744,7 @@ namespace micm
       BranchedRateConstantParameters parameters;
       parameters.X_ = object[X].get<double>();
       // Account for the conversion of reactant concentrations to molecules cm-3
-      parameters.X_ *= std::pow(MolesM3ToMoleculesCm3, reactants.second.size()-1);
+      parameters.X_ *= std::pow(MolesM3ToMoleculesCm3, reactants.second.size() - 1);
       parameters.Y_ = object[Y].get<double>();
       parameters.a0_ = object[A0].get<double>();
       parameters.n_ = object[N].get<int>();
@@ -794,7 +794,7 @@ namespace micm
         parameters.A_ = object["A"].get<double>();
       }
       // Account for the conversion of reactant concentrations to molecules cm-3
-      parameters.A_ *= std::pow(MolesM3ToMoleculesCm3, reactants.second.size()-1);
+      parameters.A_ *= std::pow(MolesM3ToMoleculesCm3, reactants.second.size() - 1);
       if (object.contains("B"))
       {
         parameters.B_ = object["B"].get<double>();
diff --git a/test/unit/configure/process/test_troe_config.cpp b/test/unit/configure/process/test_troe_config.cpp
index b643a7ad7..a6e5437c8 100644
--- a/test/unit/configure/process/test_troe_config.cpp
+++ b/test/unit/configure/process/test_troe_config.cpp
@@ -26,7 +26,7 @@ TEST(TroeConfig, ParseConfig)
 
   // Convert Arrhenius parameters from expecting molecules cm-3 to moles m-3
   const double conv = 1.0e-6 * 6.02214076e23;
-  
+
   // first reaction
   {
     EXPECT_EQ(process_vector[0].reactants_.size(), 3);
diff --git a/test/unit/configure/process/test_tunneling_config.cpp b/test/unit/configure/process/test_tunneling_config.cpp
index ee329a888..5cb1a4c4e 100644
--- a/test/unit/configure/process/test_tunneling_config.cpp
+++ b/test/unit/configure/process/test_tunneling_config.cpp
@@ -26,7 +26,7 @@ TEST(TunnelingConfig, ParseConfig)
 
   // Convert Arrhenius parameters from expecting molecules cm-3 to moles m-3
   const double conv = 1.0e-6 * 6.02214076e23;
-  
+
   // first reaction
   {
     EXPECT_EQ(process_vector[0].reactants_.size(), 3);
diff --git a/test/unit/configure/test_solver_config.cpp b/test/unit/configure/test_solver_config.cpp
index 1f673acbe..1b406cf8d 100644
--- a/test/unit/configure/test_solver_config.cpp
+++ b/test/unit/configure/test_solver_config.cpp
@@ -112,10 +112,10 @@ TEST(SolverConfig, ReadAndParseProcessObjects)
 
   // Convert Arrhenius parameters from expecting molecules cm-3 to moles m-3
   const double conv = 1.0e-6 * 6.02214076e23;
-  A_param[0] *= conv; // 2 reactants
-  A_param[1] *= conv; // 2 reactants
-  A_param[2] *= conv; // 2 reactants
-  A_param[3] *= conv * conv; // 3 reactants
+  A_param[0] *= conv;         // 2 reactants
+  A_param[1] *= conv;         // 2 reactants
+  A_param[2] *= conv;         // 2 reactants
+  A_param[3] *= conv * conv;  // 3 reactants
 
   for (short i = 3; i < 7; i++)
   {

From 0bc5528222ad589487697a11605e9d7b73153842 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 15 Nov 2023 09:02:40 -0600
Subject: [PATCH 263/318] correcting other tutorial line numbers

---
 docs/source/user_guide/multiple_grid_cells.rst | 10 +++++-----
 docs/source/user_guide/openmp.rst              |  4 ++--
 2 files changed, 7 insertions(+), 7 deletions(-)

diff --git a/docs/source/user_guide/multiple_grid_cells.rst b/docs/source/user_guide/multiple_grid_cells.rst
index f91b9ed02..4840eca62 100644
--- a/docs/source/user_guide/multiple_grid_cells.rst
+++ b/docs/source/user_guide/multiple_grid_cells.rst
@@ -66,7 +66,7 @@ the order the species are added to the gas phase.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 73-77
+  :lines: 73-75
 
 
 Now we need to get a state and set the concentations of each of the species. In the 
@@ -76,25 +76,25 @@ to set the concentrations. Here we will set the concentations by providing the :
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 79-84
+  :lines: 77-82
 
 Then we set the reaction rates by creating a vector that is 3 elements long, one for each grid cell.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 86-91
+  :lines: 84-89
 
 And lastly set the temperature, pressure, and air density for each grid cell.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 93-102
+  :lines: 91-100
 
 Now we are ready to run the simulation.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 104-127
+  :lines: 102-125
 
 
 And these are the results.
diff --git a/docs/source/user_guide/openmp.rst b/docs/source/user_guide/openmp.rst
index 4d620d655..294d7854f 100644
--- a/docs/source/user_guide/openmp.rst
+++ b/docs/source/user_guide/openmp.rst
@@ -49,14 +49,14 @@ and run the rosenbrock solver.
 
 .. literalinclude:: ../../../test/tutorial/test_openmp.cpp
   :language: cpp
-  :lines: 29-69
+  :lines: 26-63
 
 The main function simply reads the configuration file, sets the number of threads, and then sets up an OpenMP blcok
 with three threads. The function defined above is called on each thread.
 
 .. literalinclude:: ../../../test/tutorial/test_openmp.cpp
   :language: cpp
-  :lines: 71-109
+  :lines: 65-107
 
 Running this program should give an output similar to this:
 

From 416a518e7643878d526049ed0adeaecf6e5932f1 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 15 Nov 2023 09:07:58 -0600
Subject: [PATCH 264/318] grammar

---
 docs/source/user_guide/vectorized_matrix_solver.rst | 9 ++++++---
 1 file changed, 6 insertions(+), 3 deletions(-)

diff --git a/docs/source/user_guide/vectorized_matrix_solver.rst b/docs/source/user_guide/vectorized_matrix_solver.rst
index 76f62f277..590b43e27 100644
--- a/docs/source/user_guide/vectorized_matrix_solver.rst
+++ b/docs/source/user_guide/vectorized_matrix_solver.rst
@@ -103,9 +103,12 @@ they are printed in order of grid cell first and then species. Here, when settin
   3.2
   3.3
 
+Vectorized matrix ordering
+^^^^^^^^^^^^^^^^^^^^^^^^^^
+
 But, if we create a vectorized solver, set the same concentrations and print out the state variables, we see that it is organized
 first by species and then by grid cell. Note that we needed to set some partial template speciailizations at the top of the file
-to create thise.
+to create these.
 
 At the top of the file:
 
@@ -113,7 +116,7 @@ At the top of the file:
   :language: cpp
   :lines: 14-18
 
-and the vectorized solver creation
+and then we pass these templates as the template arguments to the vectorized Rosenbrock solver 
 
 .. literalinclude:: ../../../test/tutorial/test_vectorized_matrix_solver.cpp
   :language: cpp
@@ -132,7 +135,7 @@ and the vectorized solver creation
   3.3
 
 And that's all you have to do to orgnaize the data by species first. By specifying the template parameter on the 
-solver, each operation will use the same ordering for all of the data sets needed to solver the chemical system.
+solver, each operation will use the same ordering for all of the data structures needed to solve the chemical system.
 
 You can use the vectorized just as you would the regular solver, and in fact the same output is produced.
 

From c817bd4025281b73b34051cfc9bd72aaa654263e Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Wed, 15 Nov 2023 08:41:05 -0700
Subject: [PATCH 265/318] Added test/integration/analytic_surface_rxn.cpp.

---
 test/CMakeLists.txt                                |  1 -
 .../analytic_surface_rxn.cpp}                      |  0
 test/surface_rxn/CMakeLists.txt                    | 14 --------------
 3 files changed, 15 deletions(-)
 rename test/{surface_rxn/test_surface_rxn.cpp => integration/analytic_surface_rxn.cpp} (100%)
 delete mode 100644 test/surface_rxn/CMakeLists.txt

diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt
index d392bb295..e24e29012 100644
--- a/test/CMakeLists.txt
+++ b/test/CMakeLists.txt
@@ -8,4 +8,3 @@ if(ENABLE_JSON)
 add_subdirectory(examples)
 endif()
 add_subdirectory(tutorial)
-add_subdirectory(surface_rxn)
diff --git a/test/surface_rxn/test_surface_rxn.cpp b/test/integration/analytic_surface_rxn.cpp
similarity index 100%
rename from test/surface_rxn/test_surface_rxn.cpp
rename to test/integration/analytic_surface_rxn.cpp
diff --git a/test/surface_rxn/CMakeLists.txt b/test/surface_rxn/CMakeLists.txt
deleted file mode 100644
index 35bdb28da..000000000
--- a/test/surface_rxn/CMakeLists.txt
+++ /dev/null
@@ -1,14 +0,0 @@
-################################################################################
-# Test utilities
-
-include(test_util)
-
-################################################################################
-# Tests
-
-if(ENABLE_JSON)
-  create_standard_test(NAME surface_rxn SOURCES test_surface_rxn.cpp)
-endif()
-
-################################################################################
-

From d2616bd02fe3b2d7456793d7322fa0e296b0ba8c Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Wed, 15 Nov 2023 08:47:29 -0700
Subject: [PATCH 266/318] Building analytic_surface_rxn as separate test for
 now, to be moved to analytical_policy.hpp.

---
 test/integration/CMakeLists.txt | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/test/integration/CMakeLists.txt b/test/integration/CMakeLists.txt
index df835627c..163eb902d 100644
--- a/test/integration/CMakeLists.txt
+++ b/test/integration/CMakeLists.txt
@@ -9,8 +9,9 @@ include(test_util)
 create_standard_test(NAME chapman_integration SOURCES chapman.cpp)
 create_standard_test(NAME analytical_rosenbrock_integration SOURCES analytical_rosenbrock.cpp)
 create_standard_test(NAME terminator_integration SOURCES terminator.cpp)
+create_standard_test(NAME analytical_surface_rxn SOURCES analytic_surface_rxn.cpp)
 
 if(ENABLE_LLVM)
   create_standard_test(NAME analytical_jit_rosenbrock_integration SOURCES analytical_jit_rosenbrock.cpp)
   create_standard_test(NAME jit_terminator_integration SOURCES jit_terminator.cpp)
-endif()
\ No newline at end of file
+endif()

From f3edb07415e70c3726b8cde33ee4bc84dc426523 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Wed, 15 Nov 2023 11:19:59 -0600
Subject: [PATCH 267/318] added images, sections for sparse matrix

---
 docs/source/user_guide/images/dense.png        | Bin 0 -> 377070 bytes
 docs/source/user_guide/images/sparse.png       | Bin 0 -> 372764 bytes
 .../user_guide/vectorized_matrix_solver.rst    |  14 +++++++++++++-
 3 files changed, 13 insertions(+), 1 deletion(-)
 create mode 100644 docs/source/user_guide/images/dense.png
 create mode 100644 docs/source/user_guide/images/sparse.png

diff --git a/docs/source/user_guide/images/dense.png b/docs/source/user_guide/images/dense.png
new file mode 100644
index 0000000000000000000000000000000000000000..0f69c89c858ce3fae2d91e26ef9540d2842e810b
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HcmV?d00001

diff --git a/docs/source/user_guide/vectorized_matrix_solver.rst b/docs/source/user_guide/vectorized_matrix_solver.rst
index 590b43e27..931c8f866 100644
--- a/docs/source/user_guide/vectorized_matrix_solver.rst
+++ b/docs/source/user_guide/vectorized_matrix_solver.rst
@@ -73,6 +73,8 @@ matrices are :math:`\mathrm{number\ of\ grid\ cells} \times \mathrm{number\ of\
 Regular, dense matrix ordering
 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
 
+.. image:: images/dense.png
+
 Up until now, we've mostly created our :cpp:class:`micm::RosenbrockSolver` solvers like this:
 
 .. literalinclude:: ../../../test/tutorial/test_vectorized_matrix_solver.cpp
@@ -137,6 +139,15 @@ and then we pass these templates as the template arguments to the vectorized Ros
 And that's all you have to do to orgnaize the data by species first. By specifying the template parameter on the 
 solver, each operation will use the same ordering for all of the data structures needed to solve the chemical system.
 
+
+Sparse matrix, standard ordering
+^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+.. image:: images/sparse.png
+
+Sparse matrix, vector ordering
+^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
 You can use the vectorized just as you would the regular solver, and in fact the same output is produced.
 
 .. literalinclude:: ../../../test/tutorial/test_vectorized_matrix_solver.cpp
@@ -161,4 +172,5 @@ You can use the vectorized just as you would the regular solver, and in fact the
     Species             Regular          Vectorized
           A              3.0096              3.0096
           B         1.82514e-06         1.82514e-06
-          C              6.5904              6.5904
\ No newline at end of file
+          C              6.5904              6.5904
+

From cc531f533ff627b88a6433dfaef8f6d349ad44aa Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Wed, 15 Nov 2023 11:35:17 -0800
Subject: [PATCH 268/318] update vector matrix tutorial to include sparse
 matrix description

---
 docs/source/_static/custom.css                |   4 +
 docs/source/user_guide/images/dense.png       | Bin 377070 -> 382227 bytes
 docs/source/user_guide/images/sparse.png      | Bin 372764 -> 364152 bytes
 .../user_guide/vectorized_matrix_solver.rst   | 137 ++++++++++++++----
 .../test_vectorized_matrix_solver.cpp         |  42 ++++++
 5 files changed, 151 insertions(+), 32 deletions(-)

diff --git a/docs/source/_static/custom.css b/docs/source/_static/custom.css
index 655ca3fb4..c51b21d1f 100644
--- a/docs/source/_static/custom.css
+++ b/docs/source/_static/custom.css
@@ -27,6 +27,10 @@
   transition: background-color 0.3s;
 }
 
+.transparent-image > img {
+  background-color: unset !important;
+}
+
 .download-button:hover {
   background-color: #2980b9;
 }
diff --git a/docs/source/user_guide/images/dense.png b/docs/source/user_guide/images/dense.png
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diff --git a/docs/source/user_guide/vectorized_matrix_solver.rst b/docs/source/user_guide/vectorized_matrix_solver.rst
index 931c8f866..c15de062d 100644
--- a/docs/source/user_guide/vectorized_matrix_solver.rst
+++ b/docs/source/user_guide/vectorized_matrix_solver.rst
@@ -5,7 +5,7 @@ Vectorized matrix solver
 
 Many of the tutorials have defined a chemical system without talking about their location. Each of these is essentially
 defining a `box model <https://en.wikipedia.org/wiki/Climate_model#Box_models>`_. We often want to model chemistry
-in more than one location; multiple boxes. In weather and climate models, the domain is broken up into grids 2d or 3d grids.
+in more than one location; multiple boxes. In weather and climate models, the domain is broken up into 2d or 3d grids.
 Each location may be referred to as a grid cell or column. With ``micm``, we can solve multiple grid cells simultaneously in
 several ways.
 
@@ -50,30 +50,30 @@ This entire example is contained below. Copy and paste to follow along.
 Matrix types in micm
 --------------------
 
-``micm`` has its own matrix types, each providing a separate data layout. The data layouts are meant to provide efficient access
-such that cache misses are minimized. This is done by placing all of the data into a contiguous vector, and optionally imposing
-some sort of ordering on the data, like grouping species across gridcells together in memory. 
+``micm`` has its own matrix types. These provide dense matrices (for species concentrations, reaction rates, etc.),
+and sparse matrices (for the Jacobian matrix).
+The elements of these matrices are placed in a contiguous vector, in an effort to minimize cache misses.
+Both dense and sparse matrices also have two strategies for element ordering available: standard and vector.
+The vector-ordering strategy is intented to encourage vectorization of the solver code.
 
+Dense and sparse matrix types are described in more detail below.
 
-The dimensions of all ``micm``
-matrices are :math:`\mathrm{number\ of\ grid\ cells} \times \mathrm{number\ of\ species}`
+Dense matrix
+^^^^^^^^^^^^
+.. figure:: images/dense.png
+   :alt: dense matrix ordering
+   :figclass: transparent-image
 
-* :cpp:class:`micm::Matrix`, a dense matrix, what you probably think of when you think of a matrix, with the caveat that all rows and columns live in one long array
-
-* :cpp:class:`micm::VectorMatrix`, the matrix type of interest here, where the data is ordered such that species across grid cells lie beside each other in memory
+   Element ordering for standard (left) and vector (right) ordered dense matrices.
 
-* :cpp:class:`micm::SparseMatrix`, a `sparse matrix <https://en.wikipedia.org/wiki/Sparse_matrix>`_ data structure
 
-   * The sparse matrix also allows you to specify wether the data is ordered as a regular dense matrix, with zeros removed, or with a vectorized ordering, the topic of this tutorial.
-
-      * :cpp:class:`micm::SparseMatrixStandardOrdering`
+* :cpp:class:`micm::Matrix`, a dense matrix, what you probably think of when you think of a matrix, with the caveat that all rows and columns live in one long array
 
-      * :cpp:class:`micm::SparseMatrixVectorOrdering`
+* :cpp:class:`micm::VectorMatrix`, the same as :cpp:class:`micm::Matrix`, except that the data is ordered such that columns, rather than rows, are contiguous in memory.
 
-Regular, dense matrix ordering
-^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
 
-.. image:: images/dense.png
+Dense matrix: standard ordering
+^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
 
 Up until now, we've mostly created our :cpp:class:`micm::RosenbrockSolver` solvers like this:
 
@@ -87,7 +87,8 @@ and :cpp:class:`micm::SparseMatrix`. The most visible data affected by these par
 :cpp:member:`micm::State::variables_` parameter, representing the concnetration of each of the species. 
 
 After we created that first ``solver``, if we get a state and set the concentration of the species and then print them,
-they are printed in order of grid cell first and then species. Here, when setting the species, read the double as ``grid cell.species``.
+they are printed in order of grid cell (columns) first and then species (rows).
+Here, when setting the species, read the double as ``grid cell.species``.
 
 .. literalinclude:: ../../../test/tutorial/test_vectorized_matrix_solver.cpp
   :language: cpp
@@ -105,12 +106,12 @@ they are printed in order of grid cell first and then species. Here, when settin
   3.2
   3.3
 
-Vectorized matrix ordering
-^^^^^^^^^^^^^^^^^^^^^^^^^^
+Dense matrix: vector ordering
+^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
 
 But, if we create a vectorized solver, set the same concentrations and print out the state variables, we see that it is organized
-first by species and then by grid cell. Note that we needed to set some partial template speciailizations at the top of the file
-to create these.
+first by species (rows) and then by grid cell (columns).
+Note that we needed to set some partial template specializations at the top of the file to create these.
 
 At the top of the file:
 
@@ -139,16 +140,10 @@ and then we pass these templates as the template arguments to the vectorized Ros
 And that's all you have to do to orgnaize the data by species first. By specifying the template parameter on the 
 solver, each operation will use the same ordering for all of the data structures needed to solve the chemical system.
 
-
-Sparse matrix, standard ordering
-^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
-
-.. image:: images/sparse.png
-
-Sparse matrix, vector ordering
-^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
-
-You can use the vectorized just as you would the regular solver, and in fact the same output is produced.
+It's important to note that regardless of the ordering policy, matrix elements can always be accessed using
+standard square-bracket notation: ``matrix[column][row]``.
+It's only when accessing the underlying data vector directly that you need to pay attention to the ordering strategy.
+In fact, you can use the vectorized solver just as you would the regular solver, and the same output is produced.
 
 .. literalinclude:: ../../../test/tutorial/test_vectorized_matrix_solver.cpp
   :language: cpp
@@ -174,3 +169,81 @@ You can use the vectorized just as you would the regular solver, and in fact the
           B         1.82514e-06         1.82514e-06
           C              6.5904              6.5904
 
+
+Sparse matrix
+^^^^^^^^^^^^^
+
+The sparse matrix type in ``micm`` is more-specifically a block-diagonal sparse matrix, where each block along the
+diagonal has the same sparsity structure.
+
+.. figure:: images/sparse.png
+   :alt: sparse matrix ordering
+   :figclass: transparent-image
+
+   Element ordering for standard (left) and vector (right) ordered block-diagonal sparse matrices.
+
+
+* :cpp:class:`micm::SparseMatrix`, a `sparse matrix <https://en.wikipedia.org/wiki/Sparse_matrix>`_ data structure
+
+   * The sparse matrix allows you to select the standard or vector ordering by applying a ordering policy to the :cpp:class:`micm::SparseMatrix` type.
+
+      * :cpp:class:`micm::SparseMatrixStandardOrdering`
+
+      * :cpp:class:`micm::SparseMatrixVectorOrdering`
+
+
+To demonstrate the effects of the ordering policy on sparse matrix objects, we create the same sparse matrix
+using each ordering policy:
+
+.. literalinclude:: ../../../test/tutorial/test_vectorized_matrix_solver.cpp
+  :language: cpp
+  :lines: 136-152
+
+Standard ordering is the default, and thus does not have to be specified as a template parameter.
+When creating vector-ordered matrices, specify the second template argument using
+``micm::SparseMatrixVectorOrdering<L>`` where ``L`` is the number of blocks (i.e. grid cells) in the
+block diagonal matrix.
+
+Just like the dense matrix, the square bracket notation is always used as ``matrix[block][column][row]``.
+We use this syntax to set the same values for each element of our two sparse matrices.
+We created matrices of strings so the values can be set as ``block.column.row``:
+
+.. literalinclude:: ../../../test/tutorial/test_vectorized_matrix_solver.cpp
+  :language: cpp
+  :lines: 154-165
+
+We can again see the effects of the ordering policy by accessing the underlying data vector directly:
+
+.. literalinclude:: ../../../test/tutorial/test_vectorized_matrix_solver.cpp
+  :language: cpp
+  :lines: 167-176
+
+.. code-block:: bash
+
+  Sparse matrix standard ordering elements
+  0.0.1
+  0.2.1
+  0.2.3
+  0.3.2
+  1.0.1
+  1.2.1
+  1.2.3
+  1.3.2
+  2.0.1
+  2.2.1
+  2.2.3
+  2.3.2
+  
+  Sparse matrix vector ordering elements
+  0.0.1
+  1.0.1
+  2.0.1
+  0.2.1
+  1.2.1
+  2.2.1
+  0.2.3
+  1.2.3
+  2.2.3
+  0.3.2
+  1.3.2
+  2.3.2
\ No newline at end of file
diff --git a/test/tutorial/test_vectorized_matrix_solver.cpp b/test/tutorial/test_vectorized_matrix_solver.cpp
index 6f6c21143..292e35ae2 100644
--- a/test/tutorial/test_vectorized_matrix_solver.cpp
+++ b/test/tutorial/test_vectorized_matrix_solver.cpp
@@ -132,4 +132,46 @@ int main()
 
     std::cout << std::endl;
   }
+
+  micm::SparseMatrix<std::string> sparse_matrix{
+    micm::SparseMatrix<std::string>::create(4)
+      .with_element(0, 1)
+      .with_element(2, 1)
+      .with_element(2, 3)
+      .with_element(3, 2)
+      .number_of_blocks(3)
+    };
+
+  micm::SparseMatrix<std::string, micm::SparseMatrixVectorOrdering<3>> sparse_vector_matrix{
+    micm::SparseMatrix<std::string, micm::SparseMatrixVectorOrdering<3>>::create(4)
+      .with_element(0, 1)
+      .with_element(2, 1)
+      .with_element(2, 3)
+      .with_element(3, 2)
+      .number_of_blocks(3)
+    };
+
+  sparse_matrix[0][0][1] = sparse_vector_matrix[0][0][1] = "0.0.1";
+  sparse_matrix[0][2][1] = sparse_vector_matrix[0][2][1] = "0.2.1";
+  sparse_matrix[0][2][3] = sparse_vector_matrix[0][2][3] = "0.2.3";
+  sparse_matrix[0][3][2] = sparse_vector_matrix[0][3][2] = "0.3.2";
+  sparse_matrix[1][0][1] = sparse_vector_matrix[1][0][1] = "1.0.1";
+  sparse_matrix[1][2][1] = sparse_vector_matrix[1][2][1] = "1.2.1";
+  sparse_matrix[1][2][3] = sparse_vector_matrix[1][2][3] = "1.2.3";
+  sparse_matrix[1][3][2] = sparse_vector_matrix[1][3][2] = "1.3.2";
+  sparse_matrix[2][0][1] = sparse_vector_matrix[2][0][1] = "2.0.1";
+  sparse_matrix[2][2][1] = sparse_vector_matrix[2][2][1] = "2.2.1";
+  sparse_matrix[2][2][3] = sparse_vector_matrix[2][2][3] = "2.2.3";
+  sparse_matrix[2][3][2] = sparse_vector_matrix[2][3][2] = "2.3.2";
+
+  std::cout << std::endl << "Sparse matrix standard ordering elements" << std::endl;
+  for (auto& elem : sparse_matrix.AsVector())
+  {
+    std::cout << elem << std::endl;
+  }
+  std::cout << std::endl << "Sparse matrix vector ordering elements" << std::endl;
+  for (auto& elem : sparse_vector_matrix.AsVector())
+  {
+    std::cout << elem << std::endl;
+  }
 }
\ No newline at end of file

From aabe856dc0040664ead7867a4d858ff281eb55c8 Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Wed, 15 Nov 2023 13:12:34 -0800
Subject: [PATCH 269/318] Auto-format code changes (#364)

Auto-format code using Clang-Format

Co-authored-by: GitHub Actions <actions@github.com>
---
 .../test_vectorized_matrix_solver.cpp         | 26 +++++++++----------
 1 file changed, 12 insertions(+), 14 deletions(-)

diff --git a/test/tutorial/test_vectorized_matrix_solver.cpp b/test/tutorial/test_vectorized_matrix_solver.cpp
index 292e35ae2..0bfeead52 100644
--- a/test/tutorial/test_vectorized_matrix_solver.cpp
+++ b/test/tutorial/test_vectorized_matrix_solver.cpp
@@ -133,23 +133,21 @@ int main()
     std::cout << std::endl;
   }
 
-  micm::SparseMatrix<std::string> sparse_matrix{
-    micm::SparseMatrix<std::string>::create(4)
-      .with_element(0, 1)
-      .with_element(2, 1)
-      .with_element(2, 3)
-      .with_element(3, 2)
-      .number_of_blocks(3)
-    };
+  micm::SparseMatrix<std::string> sparse_matrix{ micm::SparseMatrix<std::string>::create(4)
+                                                     .with_element(0, 1)
+                                                     .with_element(2, 1)
+                                                     .with_element(2, 3)
+                                                     .with_element(3, 2)
+                                                     .number_of_blocks(3) };
 
   micm::SparseMatrix<std::string, micm::SparseMatrixVectorOrdering<3>> sparse_vector_matrix{
     micm::SparseMatrix<std::string, micm::SparseMatrixVectorOrdering<3>>::create(4)
-      .with_element(0, 1)
-      .with_element(2, 1)
-      .with_element(2, 3)
-      .with_element(3, 2)
-      .number_of_blocks(3)
-    };
+        .with_element(0, 1)
+        .with_element(2, 1)
+        .with_element(2, 3)
+        .with_element(3, 2)
+        .number_of_blocks(3)
+  };
 
   sparse_matrix[0][0][1] = sparse_vector_matrix[0][0][1] = "0.0.1";
   sparse_matrix[0][2][1] = sparse_vector_matrix[0][2][1] = "0.2.1";

From c4f19831dfb142d826a2046fcd3a5f3196871968 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Fri, 17 Nov 2023 14:09:23 -0700
Subject: [PATCH 270/318] Added model and analytic concentration arrays.

---
 test/integration/analytic_surface_rxn.cpp | 21 +++++++++++++++++----
 1 file changed, 17 insertions(+), 4 deletions(-)

diff --git a/test/integration/analytic_surface_rxn.cpp b/test/integration/analytic_surface_rxn.cpp
index 2ade667a7..cacc8dece 100644
--- a/test/integration/analytic_surface_rxn.cpp
+++ b/test/integration/analytic_surface_rxn.cpp
@@ -1,8 +1,9 @@
 #include <micm/system/system.hpp>
-#include <micm/solver/state.hpp>
 #include <micm/system/species.hpp>
-#include <micm/process/surface_rate_constant.hpp>
+#include <micm/solver/state.hpp>
 #include <micm/solver/rosenbrock.hpp>
+#include <micm/process/surface_rate_constant.hpp>
+#include <micm/util/constants.hpp>
 
 int main(const int argc, const char* argv[])
 {
@@ -46,7 +47,7 @@ int main(const int argc, const char* argv[])
   micm::Phase gas_phase{ std::vector<micm::Species>{ foo, bar, baz } };
 
   // System
-  auto chemical_system = micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase });
+  micm::System chemical_system = micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase });
 
   // Rate
   micm::SurfaceRateConstant surface{
@@ -77,10 +78,22 @@ int main(const int argc, const char* argv[])
   double time_step = 3600;  // s
   int nstep = 24;
 
+  std::vector<std::vector<double>> model_conc(nstep, std::vector<double>(3));
+  std::vector<std::vector<double>> analytic_conc(nstep, std::vector<double>(3));
+
+  model_conc[0] = {conc_foo, 0, 0};
+  analytic_conc[0] = {conc_foo, 0, 0};
+
+  size_t idx_foo = 0, idx_bar = 1, idx_baz = 2;
+
+  std::vector<double> times;
+  times.push_back(0);
+
   for (int i = 0; i < nstep; ++i)
   {
-    double elapsed_solve_time = 0;
+    times.push_back(time_step);
 
+    double elapsed_solve_time = 0;
     while (elapsed_solve_time < time_step)
     {
       auto result = solver.Solve(time_step - elapsed_solve_time, state);

From e0769f45c95c61b41d46fe4314311297c13bc790 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Fri, 17 Nov 2023 14:16:03 -0700
Subject: [PATCH 271/318] Include gtest.h.

---
 test/integration/analytic_surface_rxn.cpp | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/test/integration/analytic_surface_rxn.cpp b/test/integration/analytic_surface_rxn.cpp
index cacc8dece..54dff9c40 100644
--- a/test/integration/analytic_surface_rxn.cpp
+++ b/test/integration/analytic_surface_rxn.cpp
@@ -1,3 +1,4 @@
+#include <gtest/gtest.h>
 #include <micm/system/system.hpp>
 #include <micm/system/species.hpp>
 #include <micm/solver/state.hpp>
@@ -99,6 +100,7 @@ int main(const int argc, const char* argv[])
       auto result = solver.Solve(time_step - elapsed_solve_time, state);
       elapsed_solve_time = result.final_time_;
       state.variables_ = result.result_;
+      EXPECT_EQ(result.state_, (micm::SolverState::Converged));
     }
   }
 

From 95249ed4fccac8f3a6916cd8f6e3255861f34f80 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Fri, 17 Nov 2023 14:29:57 -0700
Subject: [PATCH 272/318] Save model conentrations in solve loop.

---
 test/integration/analytic_surface_rxn.cpp | 10 ++++++++--
 1 file changed, 8 insertions(+), 2 deletions(-)

diff --git a/test/integration/analytic_surface_rxn.cpp b/test/integration/analytic_surface_rxn.cpp
index 54dff9c40..be5f2a5e4 100644
--- a/test/integration/analytic_surface_rxn.cpp
+++ b/test/integration/analytic_surface_rxn.cpp
@@ -95,13 +95,19 @@ int main(const int argc, const char* argv[])
     times.push_back(time_step);
 
     double elapsed_solve_time = 0;
+
+    // first iteration
+    auto result = solver.Solve(time_step - elapsed_solve_time, state);
+    elapsed_solve_time = result.final_time_;
+    // further iterations
     while (elapsed_solve_time < time_step)
     {
-      auto result = solver.Solve(time_step - elapsed_solve_time, state);
+      result = solver.Solve(time_step - elapsed_solve_time, state);
       elapsed_solve_time = result.final_time_;
       state.variables_ = result.result_;
-      EXPECT_EQ(result.state_, (micm::SolverState::Converged));
     }
+    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
+    model_conc[i] = result.result_.AsVector();
   }
 
   return 0;

From 5710f878ecc2c621b31aeffae9805e3184f9586d Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 08:12:57 -0700
Subject: [PATCH 273/318] Check surface rate constant calculation.

---
 test/integration/analytic_surface_rxn.cpp | 10 ++++++++++
 1 file changed, 10 insertions(+)

diff --git a/test/integration/analytic_surface_rxn.cpp b/test/integration/analytic_surface_rxn.cpp
index be5f2a5e4..b0b43b948 100644
--- a/test/integration/analytic_surface_rxn.cpp
+++ b/test/integration/analytic_surface_rxn.cpp
@@ -76,6 +76,13 @@ int main(const int argc, const char* argv[])
   state.SetCustomRateParameter("foo.particle number concentration [# m-3]", number_conc);
   state.SetConcentration(foo, conc_foo);
 
+
+  // Check surface reaction rate calculation
+  double mean_free_speed = std::sqrt(8.0 * GAS_CONSTANT / (M_PI * MW_foo) * temperature);
+  double k_surface_rxn = 4.0 * number_conc * M_PI * radius * radius /
+    (radius / Dg_foo + 4.0 / (mean_free_speed * rxn_gamma));
+
+
   double time_step = 3600;  // s
   int nstep = 24;
 
@@ -107,6 +114,9 @@ int main(const int argc, const char* argv[])
       state.variables_ = result.result_;
     }
     EXPECT_EQ(result.state_, (micm::SolverState::Converged));
+    std::cout << i << " " << k_surface_rxn << " "
+      << state.rate_constants_.AsVector()[0] << std::endl;
+    EXPECT_NEAR(k_surface_rxn, state.rate_constants_.AsVector()[0], 1e-8);
     model_conc[i] = result.result_.AsVector();
   }
 

From 93e5e1582ba48f6bc8e80e357ce5dc50a8ff604b Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 08:30:36 -0700
Subject: [PATCH 274/318] Adjust time step to 0.1 / k1.

---
 test/integration/analytic_surface_rxn.cpp | 31 ++++++++++++++---------
 1 file changed, 19 insertions(+), 12 deletions(-)

diff --git a/test/integration/analytic_surface_rxn.cpp b/test/integration/analytic_surface_rxn.cpp
index b0b43b948..5adc78f35 100644
--- a/test/integration/analytic_surface_rxn.cpp
+++ b/test/integration/analytic_surface_rxn.cpp
@@ -77,14 +77,14 @@ int main(const int argc, const char* argv[])
   state.SetConcentration(foo, conc_foo);
 
 
-  // Check surface reaction rate calculation
+  // Surface reaction rate calculation
   double mean_free_speed = std::sqrt(8.0 * GAS_CONSTANT / (M_PI * MW_foo) * temperature);
-  double k_surface_rxn = 4.0 * number_conc * M_PI * radius * radius /
+  double k1 = 4.0 * number_conc * M_PI * radius * radius /
     (radius / Dg_foo + 4.0 / (mean_free_speed * rxn_gamma));
 
 
-  double time_step = 3600;  // s
-  int nstep = 24;
+  double time_step = 0.1 / k1;  // s
+  int nstep = 10;
 
   std::vector<std::vector<double>> model_conc(nstep, std::vector<double>(3));
   std::vector<std::vector<double>> analytic_conc(nstep, std::vector<double>(3));
@@ -94,18 +94,14 @@ int main(const int argc, const char* argv[])
 
   size_t idx_foo = 0, idx_bar = 1, idx_baz = 2;
 
-  std::vector<double> times;
-  times.push_back(0);
-
   for (int i = 0; i < nstep; ++i)
   {
-    times.push_back(time_step);
-
     double elapsed_solve_time = 0;
 
     // first iteration
     auto result = solver.Solve(time_step - elapsed_solve_time, state);
     elapsed_solve_time = result.final_time_;
+
     // further iterations
     while (elapsed_solve_time < time_step)
     {
@@ -114,10 +110,21 @@ int main(const int argc, const char* argv[])
       state.variables_ = result.result_;
     }
     EXPECT_EQ(result.state_, (micm::SolverState::Converged));
-    std::cout << i << " " << k_surface_rxn << " "
-      << state.rate_constants_.AsVector()[0] << std::endl;
-    EXPECT_NEAR(k_surface_rxn, state.rate_constants_.AsVector()[0], 1e-8);
+
+    // Check surface reaction rate calculation
+    EXPECT_NEAR(k1, state.rate_constants_.AsVector()[0], 1e-8);
+
     model_conc[i] = result.result_.AsVector();
+
+    double time = i * time_step;
+    analytic_conc[i][idx_foo] = conc_foo * std::exp(-(k1)*time);
+
+    std::cout << i << " "
+      << time << " "
+      << k1 << " "
+      << state.rate_constants_.AsVector()[0] << " "
+      << analytic_conc[i][idx_foo] << " "
+      << std::endl;
   }
 
   return 0;

From 8f32e71eac7e1db1c568c1e4872eece817e5a278 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 08:31:58 -0700
Subject: [PATCH 275/318] Renamed file to analytical_surface_rxn.cpp.

---
 test/integration/CMakeLists.txt                                 | 2 +-
 .../{analytic_surface_rxn.cpp => analytical_surface_rxn.cpp}    | 0
 2 files changed, 1 insertion(+), 1 deletion(-)
 rename test/integration/{analytic_surface_rxn.cpp => analytical_surface_rxn.cpp} (100%)

diff --git a/test/integration/CMakeLists.txt b/test/integration/CMakeLists.txt
index 163eb902d..0949d3255 100644
--- a/test/integration/CMakeLists.txt
+++ b/test/integration/CMakeLists.txt
@@ -9,7 +9,7 @@ include(test_util)
 create_standard_test(NAME chapman_integration SOURCES chapman.cpp)
 create_standard_test(NAME analytical_rosenbrock_integration SOURCES analytical_rosenbrock.cpp)
 create_standard_test(NAME terminator_integration SOURCES terminator.cpp)
-create_standard_test(NAME analytical_surface_rxn SOURCES analytic_surface_rxn.cpp)
+create_standard_test(NAME analytical_surface_rxn SOURCES analytical_surface_rxn.cpp)
 
 if(ENABLE_LLVM)
   create_standard_test(NAME analytical_jit_rosenbrock_integration SOURCES analytical_jit_rosenbrock.cpp)
diff --git a/test/integration/analytic_surface_rxn.cpp b/test/integration/analytical_surface_rxn.cpp
similarity index 100%
rename from test/integration/analytic_surface_rxn.cpp
rename to test/integration/analytical_surface_rxn.cpp

From 07dac5f477f2f98cc8f52ddaccfd7a3473101ead Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 09:09:03 -0700
Subject: [PATCH 276/318] Use conc comparison arrays of length nstep + 1.

---
 test/integration/analytical_surface_rxn.cpp | 12 +++++++-----
 1 file changed, 7 insertions(+), 5 deletions(-)

diff --git a/test/integration/analytical_surface_rxn.cpp b/test/integration/analytical_surface_rxn.cpp
index 5adc78f35..7e42e9c28 100644
--- a/test/integration/analytical_surface_rxn.cpp
+++ b/test/integration/analytical_surface_rxn.cpp
@@ -76,39 +76,40 @@ int main(const int argc, const char* argv[])
   state.SetCustomRateParameter("foo.particle number concentration [# m-3]", number_conc);
   state.SetConcentration(foo, conc_foo);
 
-
   // Surface reaction rate calculation
   double mean_free_speed = std::sqrt(8.0 * GAS_CONSTANT / (M_PI * MW_foo) * temperature);
   double k1 = 4.0 * number_conc * M_PI * radius * radius /
     (radius / Dg_foo + 4.0 / (mean_free_speed * rxn_gamma));
 
-
   double time_step = 0.1 / k1;  // s
   int nstep = 10;
 
-  std::vector<std::vector<double>> model_conc(nstep, std::vector<double>(3));
-  std::vector<std::vector<double>> analytic_conc(nstep, std::vector<double>(3));
+  std::vector<std::vector<double>> model_conc(nstep + 1, std::vector<double>(3));
+  std::vector<std::vector<double>> analytic_conc(nstep + 1, std::vector<double>(3));
 
   model_conc[0] = {conc_foo, 0, 0};
   analytic_conc[0] = {conc_foo, 0, 0};
 
   size_t idx_foo = 0, idx_bar = 1, idx_baz = 2;
 
-  for (int i = 0; i < nstep; ++i)
+  for (int i = 1; i <= nstep; ++i)
   {
     double elapsed_solve_time = 0;
 
     // first iteration
     auto result = solver.Solve(time_step - elapsed_solve_time, state);
     elapsed_solve_time = result.final_time_;
+    state.variables_ = result.result_;
 
     // further iterations
+    /*
     while (elapsed_solve_time < time_step)
     {
       result = solver.Solve(time_step - elapsed_solve_time, state);
       elapsed_solve_time = result.final_time_;
       state.variables_ = result.result_;
     }
+    */
     EXPECT_EQ(result.state_, (micm::SolverState::Converged));
 
     // Check surface reaction rate calculation
@@ -124,6 +125,7 @@ int main(const int argc, const char* argv[])
       << k1 << " "
       << state.rate_constants_.AsVector()[0] << " "
       << analytic_conc[i][idx_foo] << " "
+      << model_conc[i][idx_foo] << " "
       << std::endl;
   }
 

From 0b0840fa1ae1fb912b47f6f35f3f34e5e745daff Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 09:28:45 -0700
Subject: [PATCH 277/318] Format stdout.

---
 test/integration/analytical_surface_rxn.cpp | 13 +++++++------
 1 file changed, 7 insertions(+), 6 deletions(-)

diff --git a/test/integration/analytical_surface_rxn.cpp b/test/integration/analytical_surface_rxn.cpp
index 7e42e9c28..c202c56e6 100644
--- a/test/integration/analytical_surface_rxn.cpp
+++ b/test/integration/analytical_surface_rxn.cpp
@@ -120,12 +120,13 @@ int main(const int argc, const char* argv[])
     double time = i * time_step;
     analytic_conc[i][idx_foo] = conc_foo * std::exp(-(k1)*time);
 
-    std::cout << i << " "
-      << time << " "
-      << k1 << " "
-      << state.rate_constants_.AsVector()[0] << " "
-      << analytic_conc[i][idx_foo] << " "
-      << model_conc[i][idx_foo] << " "
+    std::cout
+      << std::setw(3) << i << "  "
+      << std::fixed << std::setprecision(2)
+      << std::setw(5) << time << "  "
+      << std::fixed << std::setprecision(7)
+      << analytic_conc[i][idx_foo] << "  "
+      << model_conc[i][idx_foo] << "  "
       << std::endl;
   }
 

From 89b89ceeaa9b503ac0c3906a005f088bd4a443b9 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 09:39:59 -0700
Subject: [PATCH 278/318] Format test output.

---
 test/integration/analytical_surface_rxn.cpp | 18 +++++++++++++++++-
 1 file changed, 17 insertions(+), 1 deletion(-)

diff --git a/test/integration/analytical_surface_rxn.cpp b/test/integration/analytical_surface_rxn.cpp
index c202c56e6..2d1c78eae 100644
--- a/test/integration/analytical_surface_rxn.cpp
+++ b/test/integration/analytical_surface_rxn.cpp
@@ -92,6 +92,16 @@ int main(const int argc, const char* argv[])
 
   size_t idx_foo = 0, idx_bar = 1, idx_baz = 2;
 
+  std::cout << std::setw(3) << "i"
+    << std::setw(7) << "time"
+    << std::setw(11) << "anal foo"
+    << std::setw(11) << "model foo"
+    << std::setw(11) << "anal bar"
+    << std::setw(11) << "model bar"
+    << std::setw(11) << "anal baz"
+    << std::setw(11) << "model baz"
+    << std::endl;
+
   for (int i = 1; i <= nstep; ++i)
   {
     double elapsed_solve_time = 0;
@@ -118,7 +128,9 @@ int main(const int argc, const char* argv[])
     model_conc[i] = result.result_.AsVector();
 
     double time = i * time_step;
-    analytic_conc[i][idx_foo] = conc_foo * std::exp(-(k1)*time);
+    analytic_conc[i][idx_foo] = conc_foo * std::exp(- k1 * time);
+    analytic_conc[i][idx_bar] = bar_yield * (1.0 - analytic_conc[i][idx_foo]);
+    analytic_conc[i][idx_baz] = baz_yield * (1.0 - analytic_conc[i][idx_foo]);
 
     std::cout
       << std::setw(3) << i << "  "
@@ -127,6 +139,10 @@ int main(const int argc, const char* argv[])
       << std::fixed << std::setprecision(7)
       << analytic_conc[i][idx_foo] << "  "
       << model_conc[i][idx_foo] << "  "
+      << analytic_conc[i][idx_bar] << "  "
+      << model_conc[i][idx_bar] << "  "
+      << analytic_conc[i][idx_baz] << "  "
+      << model_conc[i][idx_baz] << "  "
       << std::endl;
   }
 

From 7fec54de0a3c8fa541ae1bf87c7025b3b2dea6f6 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 09:44:00 -0700
Subject: [PATCH 279/318] Check EXPECT_NEAR analytic and model concentrations.

---
 test/integration/analytical_surface_rxn.cpp | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/test/integration/analytical_surface_rxn.cpp b/test/integration/analytical_surface_rxn.cpp
index 2d1c78eae..4fc7434fa 100644
--- a/test/integration/analytical_surface_rxn.cpp
+++ b/test/integration/analytical_surface_rxn.cpp
@@ -132,6 +132,11 @@ int main(const int argc, const char* argv[])
     analytic_conc[i][idx_bar] = bar_yield * (1.0 - analytic_conc[i][idx_foo]);
     analytic_conc[i][idx_baz] = baz_yield * (1.0 - analytic_conc[i][idx_foo]);
 
+    // Check concentrations
+    EXPECT_NEAR(analytic_conc[i][idx_foo], model_conc[i][idx_foo], 1e-5);
+    EXPECT_NEAR(analytic_conc[i][idx_bar], model_conc[i][idx_bar], 1e-5);
+    EXPECT_NEAR(analytic_conc[i][idx_baz], model_conc[i][idx_baz], 1e-5);
+
     std::cout
       << std::setw(3) << i << "  "
       << std::fixed << std::setprecision(2)

From c51ddfba093f2cc33fa13b750f94aa6c8d074e7c Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 09:53:15 -0700
Subject: [PATCH 280/318] Save.

---
 test/integration/analytical_policy.hpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/test/integration/analytical_policy.hpp b/test/integration/analytical_policy.hpp
index 5ce4b25ff..4ab97da9f 100644
--- a/test/integration/analytical_policy.hpp
+++ b/test/integration/analytical_policy.hpp
@@ -1687,4 +1687,4 @@ void test_analytical_robertson(
     EXPECT_NEAR(model_concentrations[i][_c], analytical_concentrations[i][2], tol)
         << "Arrays differ at index (" << i << ", " << 2 << ")";
   }
-}
\ No newline at end of file
+}

From 968b23a31b6b131581e6624d353129803aa47967 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 12:04:09 -0700
Subject: [PATCH 281/318] Added file analytical_surface_rxn_policy.hpp.

---
 .../integration/analytical_jit_rosenbrock.cpp |   3 +-
 test/integration/analytical_rosenbrock.cpp    |   1 +
 .../analytical_surface_rxn_policy.hpp         | 156 ++++++++++++++++++
 3 files changed, 159 insertions(+), 1 deletion(-)
 create mode 100644 test/integration/analytical_surface_rxn_policy.hpp

diff --git a/test/integration/analytical_jit_rosenbrock.cpp b/test/integration/analytical_jit_rosenbrock.cpp
index af14b137e..f062d058c 100644
--- a/test/integration/analytical_jit_rosenbrock.cpp
+++ b/test/integration/analytical_jit_rosenbrock.cpp
@@ -3,6 +3,7 @@
 #include <micm/solver/jit_rosenbrock.hpp>
 
 #include "analytical_policy.hpp"
+#include "analytical_surface_rxn_policy.hpp"
 
 template<class T>
 using DefaultVectorMatrix = micm::VectorMatrix<T, 1>;
@@ -235,4 +236,4 @@ TEST(AnalyticalExamplesJitRosenbrock, Robertson)
           jit.get(), s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
         };
       });
-}
\ No newline at end of file
+}
diff --git a/test/integration/analytical_rosenbrock.cpp b/test/integration/analytical_rosenbrock.cpp
index 6d72a32ce..222cf4b2a 100644
--- a/test/integration/analytical_rosenbrock.cpp
+++ b/test/integration/analytical_rosenbrock.cpp
@@ -4,6 +4,7 @@
 #include <micm/util/matrix.hpp>
 
 #include "analytical_policy.hpp"
+#include "analytical_surface_rxn_policy.hpp"
 #include "e5.hpp"
 #include "hires.hpp"
 #include "oregonator.hpp"
diff --git a/test/integration/analytical_surface_rxn_policy.hpp b/test/integration/analytical_surface_rxn_policy.hpp
new file mode 100644
index 000000000..35197bbc8
--- /dev/null
+++ b/test/integration/analytical_surface_rxn_policy.hpp
@@ -0,0 +1,156 @@
+#include <gtest/gtest.h>
+#include <micm/system/system.hpp>
+#include <micm/system/species.hpp>
+#include <micm/solver/state.hpp>
+#include <micm/solver/rosenbrock.hpp>
+#include <micm/process/surface_rate_constant.hpp>
+#include <micm/util/constants.hpp>
+
+
+template<class OdeSolverPolicy>
+void test_analytical_surface_rxn(
+    const std::function<OdeSolverPolicy(const micm::System&, const std::vector<micm::Process>&)> create_solver)
+{
+  // parameters, from CAMP/test/unit_rxn_data/test_rxn_surface.F90
+  const double mode_GMD           = 1.0e-6;  // mode geometric mean diameter [m]
+  const double mode_GSD           = 0.1;     // mode geometric standard deviation [unitless]
+  const double DENSITY_stuff      = 1000.0;  // [kg m-3]
+  const double DENSITY_more_stuff = 1000.0;  // [kg m-3]
+  const double MW_stuff           = 0.5;     // [kg mol-1]
+  const double MW_more_stuff      = 0.2;     // [kg mol-1]
+  const double MW_foo             = 0.04607; // [kg mol-1]
+  const double Dg_foo             = 0.95e-5; // diffusion coefficient [m2 s-1]
+  const double rxn_gamma          = 2.0e-2;  // [unitless]
+  const double bar_yield          = 1.0;     // [unitless]
+  const double baz_yield          = 0.4;     // [unitless]
+
+  // environment
+  const double temperature = 272.5;  // temperature (K)
+  const double pressure = 101253.3;  // pressure (Pa)
+
+  // initial conditions
+  const double conc_foo = 1.0;
+  const double conc_stuff = 2.0e-3;
+  const double conc_more_stuff = 3.0e-3;
+
+  // effective radius
+  double radius = mode_GMD / 2.0 * exp(5.0 * log(mode_GSD) * log(mode_GSD) / 2.0);
+
+  // particle number concentration [# m-3]
+  double number_conc = 6.0 / (M_PI * std::pow(mode_GMD, 3.0)
+    * std::exp(9.0/2.0 * std::log(mode_GSD) * std::log(mode_GSD) ))
+    * (conc_stuff / DENSITY_stuff + conc_more_stuff / DENSITY_more_stuff);
+
+  micm::Species foo("foo",
+    { { "molecular weight [kg mol-1]", MW_foo },
+    { "diffusion coefficient [m2 s-1]", Dg_foo } });
+  micm::Species bar("bar");
+  micm::Species baz("baz");
+
+  // Phase
+  micm::Phase gas_phase{ std::vector<micm::Species>{ foo, bar, baz } };
+
+  // System
+  micm::System chemical_system = micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase });
+
+  // Rate
+  micm::SurfaceRateConstant surface{
+    { .label_ = "foo", .species_ = foo, .reaction_probability_ = rxn_gamma } };
+
+  // Process
+  micm::Process surface_process = micm::Process::create()
+                .reactants({ foo })
+                .products({ micm::yields(bar, bar_yield), micm::yields(baz, baz_yield) })
+                .rate_constant(surface)
+                .phase(gas_phase);
+
+  auto reactions = std::vector<micm::Process>{ surface_process };
+
+  // Solver
+  micm::RosenbrockSolver<> solver{
+    chemical_system, reactions, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+  };
+
+  // State
+  micm::State state = solver.GetState();
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.SetCustomRateParameter("foo.effective radius [m]", radius);
+  state.SetCustomRateParameter("foo.particle number concentration [# m-3]", number_conc);
+  state.SetConcentration(foo, conc_foo);
+
+  // Surface reaction rate calculation
+  double mean_free_speed = std::sqrt(8.0 * GAS_CONSTANT / (M_PI * MW_foo) * temperature);
+  double k1 = 4.0 * number_conc * M_PI * radius * radius /
+    (radius / Dg_foo + 4.0 / (mean_free_speed * rxn_gamma));
+
+  double time_step = 0.1 / k1;  // s
+  int nstep = 10;
+
+  std::vector<std::vector<double>> model_conc(nstep + 1, std::vector<double>(3));
+  std::vector<std::vector<double>> analytic_conc(nstep + 1, std::vector<double>(3));
+
+  model_conc[0] = {conc_foo, 0, 0};
+  analytic_conc[0] = {conc_foo, 0, 0};
+
+  size_t idx_foo = 0, idx_bar = 1, idx_baz = 2;
+
+  std::cout << std::setw(3) << "i"
+    << std::setw(7) << "time"
+    << std::setw(11) << "anal foo"
+    << std::setw(11) << "model foo"
+    << std::setw(11) << "anal bar"
+    << std::setw(11) << "model bar"
+    << std::setw(11) << "anal baz"
+    << std::setw(11) << "model baz"
+    << std::endl;
+
+  for (int i = 1; i <= nstep; ++i)
+  {
+    double elapsed_solve_time = 0;
+
+    // first iteration
+    auto result = solver.Solve(time_step - elapsed_solve_time, state);
+    elapsed_solve_time = result.final_time_;
+    state.variables_ = result.result_;
+
+    // further iterations
+    /*
+    while (elapsed_solve_time < time_step)
+    {
+      result = solver.Solve(time_step - elapsed_solve_time, state);
+      elapsed_solve_time = result.final_time_;
+      state.variables_ = result.result_;
+    }
+    */
+    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
+
+    // Check surface reaction rate calculation
+    EXPECT_NEAR(k1, state.rate_constants_.AsVector()[0], 1e-8);
+
+    model_conc[i] = result.result_.AsVector();
+
+    double time = i * time_step;
+    analytic_conc[i][idx_foo] = conc_foo * std::exp(- k1 * time);
+    analytic_conc[i][idx_bar] = bar_yield * (1.0 - analytic_conc[i][idx_foo]);
+    analytic_conc[i][idx_baz] = baz_yield * (1.0 - analytic_conc[i][idx_foo]);
+
+    // Check concentrations
+    EXPECT_NEAR(analytic_conc[i][idx_foo], model_conc[i][idx_foo], 1e-5);
+    EXPECT_NEAR(analytic_conc[i][idx_bar], model_conc[i][idx_bar], 1e-5);
+    EXPECT_NEAR(analytic_conc[i][idx_baz], model_conc[i][idx_baz], 1e-5);
+
+    std::cout
+      << std::setw(3) << i << "  "
+      << std::fixed << std::setprecision(2)
+      << std::setw(5) << time << "  "
+      << std::fixed << std::setprecision(7)
+      << analytic_conc[i][idx_foo] << "  "
+      << model_conc[i][idx_foo] << "  "
+      << analytic_conc[i][idx_bar] << "  "
+      << model_conc[i][idx_bar] << "  "
+      << analytic_conc[i][idx_baz] << "  "
+      << model_conc[i][idx_baz] << "  "
+      << std::endl;
+  }
+}

From 12286d67979202018d081fc6e1e2ea2bc102fcee Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 12:16:14 -0700
Subject: [PATCH 282/318] Use OdeSolverPolicy solver in
 analytical_surface_rxn_policy.hpp.

---
 test/integration/analytical_rosenbrock.cpp         | 12 ++++++++++++
 test/integration/analytical_surface_rxn_policy.hpp |  9 ++++++---
 2 files changed, 18 insertions(+), 3 deletions(-)

diff --git a/test/integration/analytical_rosenbrock.cpp b/test/integration/analytical_rosenbrock.cpp
index 222cf4b2a..55549c7a2 100644
--- a/test/integration/analytical_rosenbrock.cpp
+++ b/test/integration/analytical_rosenbrock.cpp
@@ -168,6 +168,18 @@ TEST(AnalyticalExamples, Robertson)
       });
 }
 
+TEST(AnalyticalExamples, SurfaceRxn)
+{
+  test_analytical_surface_rxn<micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>>(
+      [](const micm::System& s,
+         const std::vector<micm::Process>& p) -> micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>
+      {
+        return micm::RosenbrockSolver<micm::Matrix, SparseMatrixTest>{
+          s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}
+
 TEST(AnalyticalExamples, Oregonator)
 {
   /*
diff --git a/test/integration/analytical_surface_rxn_policy.hpp b/test/integration/analytical_surface_rxn_policy.hpp
index 35197bbc8..ba9242542 100644
--- a/test/integration/analytical_surface_rxn_policy.hpp
+++ b/test/integration/analytical_surface_rxn_policy.hpp
@@ -67,9 +67,12 @@ void test_analytical_surface_rxn(
   auto reactions = std::vector<micm::Process>{ surface_process };
 
   // Solver
-  micm::RosenbrockSolver<> solver{
-    chemical_system, reactions, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
+  // micm::RosenbrockSolver<> solver{
+  //   chemical_system, reactions, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+  // };
+
+  // Solver
+  OdeSolverPolicy solver = create_solver(chemical_system, reactions);
 
   // State
   micm::State state = solver.GetState();

From 8277e5c20cd3876dd0af5bafdc93da4a15ef55a1 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 12:21:09 -0700
Subject: [PATCH 283/318] Added TEST(AnalyticalExamplesJitRosenbrock,
 SurfaceRxn).

---
 test/integration/analytical_jit_rosenbrock.cpp | 17 +++++++++++++++++
 1 file changed, 17 insertions(+)

diff --git a/test/integration/analytical_jit_rosenbrock.cpp b/test/integration/analytical_jit_rosenbrock.cpp
index f062d058c..0c6672e25 100644
--- a/test/integration/analytical_jit_rosenbrock.cpp
+++ b/test/integration/analytical_jit_rosenbrock.cpp
@@ -237,3 +237,20 @@ TEST(AnalyticalExamplesJitRosenbrock, Robertson)
         };
       });
 }
+
+TEST(AnalyticalExamplesJitRosenbrock, SurfaceRxn)
+{
+  auto jit{ micm::JitCompiler::create() };
+  if (auto err = jit.takeError())
+  {
+    llvm::logAllUnhandledErrors(std::move(err), llvm::errs(), "[JIT Error]");
+    EXPECT_TRUE(false);
+  }
+  test_analytical_surface_rxn<DefaultJitRosenbrockSolver>(
+      [&](const micm::System& s, const std::vector<micm::Process>& p) -> DefaultJitRosenbrockSolver
+      {
+        return DefaultJitRosenbrockSolver{
+          jit.get(), s, p, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
+        };
+      });
+}

From 414362e4df05796d31d96237856d6864f615c775 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 12:31:30 -0700
Subject: [PATCH 284/318] Removed cpp version of analytical_surface_rxn.

---
 test/integration/CMakeLists.txt             |   1 -
 test/integration/analytical_surface_rxn.cpp | 155 --------------------
 2 files changed, 156 deletions(-)
 delete mode 100644 test/integration/analytical_surface_rxn.cpp

diff --git a/test/integration/CMakeLists.txt b/test/integration/CMakeLists.txt
index 0949d3255..c9e9ab9de 100644
--- a/test/integration/CMakeLists.txt
+++ b/test/integration/CMakeLists.txt
@@ -9,7 +9,6 @@ include(test_util)
 create_standard_test(NAME chapman_integration SOURCES chapman.cpp)
 create_standard_test(NAME analytical_rosenbrock_integration SOURCES analytical_rosenbrock.cpp)
 create_standard_test(NAME terminator_integration SOURCES terminator.cpp)
-create_standard_test(NAME analytical_surface_rxn SOURCES analytical_surface_rxn.cpp)
 
 if(ENABLE_LLVM)
   create_standard_test(NAME analytical_jit_rosenbrock_integration SOURCES analytical_jit_rosenbrock.cpp)
diff --git a/test/integration/analytical_surface_rxn.cpp b/test/integration/analytical_surface_rxn.cpp
deleted file mode 100644
index 4fc7434fa..000000000
--- a/test/integration/analytical_surface_rxn.cpp
+++ /dev/null
@@ -1,155 +0,0 @@
-#include <gtest/gtest.h>
-#include <micm/system/system.hpp>
-#include <micm/system/species.hpp>
-#include <micm/solver/state.hpp>
-#include <micm/solver/rosenbrock.hpp>
-#include <micm/process/surface_rate_constant.hpp>
-#include <micm/util/constants.hpp>
-
-int main(const int argc, const char* argv[])
-{
-  // parameters, from CAMP/test/unit_rxn_data/test_rxn_surface.F90
-  const double mode_GMD           = 1.0e-6;  // mode geometric mean diameter [m]
-  const double mode_GSD           = 0.1;     // mode geometric standard deviation [unitless]
-  const double DENSITY_stuff      = 1000.0;  // [kg m-3]
-  const double DENSITY_more_stuff = 1000.0;  // [kg m-3]
-  const double MW_stuff           = 0.5;     // [kg mol-1]
-  const double MW_more_stuff      = 0.2;     // [kg mol-1]
-  const double MW_foo             = 0.04607; // [kg mol-1]
-  const double Dg_foo             = 0.95e-5; // diffusion coefficient [m2 s-1]
-  const double rxn_gamma          = 2.0e-2;  // [unitless]
-  const double bar_yield          = 1.0;     // [unitless]
-  const double baz_yield          = 0.4;     // [unitless]
-
-  // environment
-  const double temperature = 272.5;  // temperature (K)
-  const double pressure = 101253.3;  // pressure (Pa)
-
-  // initial conditions
-  const double conc_foo = 1.0;
-  const double conc_stuff = 2.0e-3;
-  const double conc_more_stuff = 3.0e-3;
-
-  // effective radius
-  double radius = mode_GMD / 2.0 * exp(5.0 * log(mode_GSD) * log(mode_GSD) / 2.0);
-
-  // particle number concentration [# m-3]
-  double number_conc = 6.0 / (M_PI * std::pow(mode_GMD, 3.0)
-    * std::exp(9.0/2.0 * std::log(mode_GSD) * std::log(mode_GSD) ))
-    * (conc_stuff / DENSITY_stuff + conc_more_stuff / DENSITY_more_stuff);
-
-  micm::Species foo("foo",
-    { { "molecular weight [kg mol-1]", MW_foo },
-    { "diffusion coefficient [m2 s-1]", Dg_foo } });
-  micm::Species bar("bar");
-  micm::Species baz("baz");
-
-  // Phase
-  micm::Phase gas_phase{ std::vector<micm::Species>{ foo, bar, baz } };
-
-  // System
-  micm::System chemical_system = micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase });
-
-  // Rate
-  micm::SurfaceRateConstant surface{
-    { .label_ = "foo", .species_ = foo, .reaction_probability_ = rxn_gamma } };
-
-  // Process
-  micm::Process surface_process = micm::Process::create()
-                .reactants({ foo })
-                .products({ micm::yields(bar, bar_yield), micm::yields(baz, baz_yield) })
-                .rate_constant(surface)
-                .phase(gas_phase);
-
-  auto reactions = std::vector<micm::Process>{ surface_process };
-
-  // Solver
-  micm::RosenbrockSolver<> solver{
-    chemical_system, reactions, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
-
-  // State
-  micm::State state = solver.GetState();
-  state.conditions_[0].temperature_ = temperature;
-  state.conditions_[0].pressure_ = pressure;
-  state.SetCustomRateParameter("foo.effective radius [m]", radius);
-  state.SetCustomRateParameter("foo.particle number concentration [# m-3]", number_conc);
-  state.SetConcentration(foo, conc_foo);
-
-  // Surface reaction rate calculation
-  double mean_free_speed = std::sqrt(8.0 * GAS_CONSTANT / (M_PI * MW_foo) * temperature);
-  double k1 = 4.0 * number_conc * M_PI * radius * radius /
-    (radius / Dg_foo + 4.0 / (mean_free_speed * rxn_gamma));
-
-  double time_step = 0.1 / k1;  // s
-  int nstep = 10;
-
-  std::vector<std::vector<double>> model_conc(nstep + 1, std::vector<double>(3));
-  std::vector<std::vector<double>> analytic_conc(nstep + 1, std::vector<double>(3));
-
-  model_conc[0] = {conc_foo, 0, 0};
-  analytic_conc[0] = {conc_foo, 0, 0};
-
-  size_t idx_foo = 0, idx_bar = 1, idx_baz = 2;
-
-  std::cout << std::setw(3) << "i"
-    << std::setw(7) << "time"
-    << std::setw(11) << "anal foo"
-    << std::setw(11) << "model foo"
-    << std::setw(11) << "anal bar"
-    << std::setw(11) << "model bar"
-    << std::setw(11) << "anal baz"
-    << std::setw(11) << "model baz"
-    << std::endl;
-
-  for (int i = 1; i <= nstep; ++i)
-  {
-    double elapsed_solve_time = 0;
-
-    // first iteration
-    auto result = solver.Solve(time_step - elapsed_solve_time, state);
-    elapsed_solve_time = result.final_time_;
-    state.variables_ = result.result_;
-
-    // further iterations
-    /*
-    while (elapsed_solve_time < time_step)
-    {
-      result = solver.Solve(time_step - elapsed_solve_time, state);
-      elapsed_solve_time = result.final_time_;
-      state.variables_ = result.result_;
-    }
-    */
-    EXPECT_EQ(result.state_, (micm::SolverState::Converged));
-
-    // Check surface reaction rate calculation
-    EXPECT_NEAR(k1, state.rate_constants_.AsVector()[0], 1e-8);
-
-    model_conc[i] = result.result_.AsVector();
-
-    double time = i * time_step;
-    analytic_conc[i][idx_foo] = conc_foo * std::exp(- k1 * time);
-    analytic_conc[i][idx_bar] = bar_yield * (1.0 - analytic_conc[i][idx_foo]);
-    analytic_conc[i][idx_baz] = baz_yield * (1.0 - analytic_conc[i][idx_foo]);
-
-    // Check concentrations
-    EXPECT_NEAR(analytic_conc[i][idx_foo], model_conc[i][idx_foo], 1e-5);
-    EXPECT_NEAR(analytic_conc[i][idx_bar], model_conc[i][idx_bar], 1e-5);
-    EXPECT_NEAR(analytic_conc[i][idx_baz], model_conc[i][idx_baz], 1e-5);
-
-    std::cout
-      << std::setw(3) << i << "  "
-      << std::fixed << std::setprecision(2)
-      << std::setw(5) << time << "  "
-      << std::fixed << std::setprecision(7)
-      << analytic_conc[i][idx_foo] << "  "
-      << model_conc[i][idx_foo] << "  "
-      << analytic_conc[i][idx_bar] << "  "
-      << model_conc[i][idx_bar] << "  "
-      << analytic_conc[i][idx_baz] << "  "
-      << model_conc[i][idx_baz] << "  "
-      << std::endl;
-  }
-
-  return 0;
-}

From 9bf48a69050004fed1225501b595e19874fc832d Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 17:34:14 -0700
Subject: [PATCH 285/318] Capture last JSON object on parse failure.

---
 include/micm/configure/solver_config.hpp | 10 ++++++++++
 1 file changed, 10 insertions(+)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index a23945926..b02fc772b 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -7,6 +7,7 @@
 #include <array>
 #include <filesystem>
 #include <fstream>
+#include <sstream>
 #include <iostream>
 #include <micm/process/arrhenius_rate_constant.hpp>
 #include <micm/process/branched_rate_constant.hpp>
@@ -111,6 +112,9 @@ namespace micm
     static const inline std::string CAMP_DATA = "camp-data";
     static const inline std::string TYPE = "type";
 
+    // Error string
+    std::stringstream last_json_object_;
+
     // Functions
 
     /// @brief Parse configures
@@ -270,7 +274,10 @@ namespace micm
         }
 
         if (status != ConfigParseStatus::Success)
+        {
+          last_json_object_ << object.dump(4);
           break;
+        }
       }
 
       return status;
@@ -338,7 +345,10 @@ namespace micm
         }
 
         if (status != ConfigParseStatus::Success)
+        {
+          last_json_object_ << object.dump(4);
           break;
+        }
       }
 
       return status;

From 2d270fd6189ba395fb45fb5b7e9c307cb1ea2c79 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 17:52:20 -0700
Subject: [PATCH 286/318] Add last JSON object dump to error message.

---
 include/micm/configure/solver_config.hpp | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index b02fc772b..483139c0f 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -1109,7 +1109,8 @@ namespace micm
       if (last_parse_status_ != ConfigParseStatus::Success)
       {
         std::string msg = "Parsing configuration files failed. The parsing failed with error: " +
-                          configParseStatusToString(last_parse_status_);
+                          configParseStatusToString(last_parse_status_) +
+                          this->last_json_object_.str();
         throw std::runtime_error(msg);
       }
 

From 198ffebfcce3d4cef42403e4832a17e03adab68e Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 18:22:56 -0700
Subject: [PATCH 287/318] Added test for unknown key.

---
 test/unit/configure/test_solver_config.cpp    |   7 +
 .../CAMP/camp_unknown_key/camp_mechanism.json | 144 ++++++++++++++++++
 .../CAMP/camp_unknown_key/camp_species.json   |  53 +++++++
 .../CAMP/camp_unknown_key/config.json         |   1 +
 4 files changed, 205 insertions(+)
 create mode 100644 test/unit/unit_configs/CAMP/camp_unknown_key/camp_mechanism.json
 create mode 100644 test/unit/unit_configs/CAMP/camp_unknown_key/camp_species.json
 create mode 100644 test/unit/unit_configs/CAMP/camp_unknown_key/config.json

diff --git a/test/unit/configure/test_solver_config.cpp b/test/unit/configure/test_solver_config.cpp
index 1b406cf8d..837844734 100644
--- a/test/unit/configure/test_solver_config.cpp
+++ b/test/unit/configure/test_solver_config.cpp
@@ -16,6 +16,13 @@ TEST(SolverConfig, NoConfigFilesFound)
   EXPECT_EQ(micm::ConfigParseStatus::NoConfigFilesFound, status);
 }
 
+TEST(SolverConfig, UnknownKey)
+{
+  micm::SolverConfig solverConfig{};
+  auto status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_unknown_key/config.json");
+  EXPECT_EQ(micm::ConfigParseStatus::UnknownKey, status);
+}
+
 TEST(SolverConfig, ReadAndParseCAMPFiles)
 {
   micm::SolverConfig solverConfig{};
diff --git a/test/unit/unit_configs/CAMP/camp_unknown_key/camp_mechanism.json b/test/unit/unit_configs/CAMP/camp_unknown_key/camp_mechanism.json
new file mode 100644
index 000000000..18c99c037
--- /dev/null
+++ b/test/unit/unit_configs/CAMP/camp_unknown_key/camp_mechanism.json
@@ -0,0 +1,144 @@
+{
+  "camp-data" : [
+    {
+      "name" : "Chapman",
+      "type" : "MECHANISM",
+      "reactions" : [
+        {
+          "type" : "UNKNOWN",
+          "reactants" : {
+            "O2" : { }
+          },
+          "products" : {
+            "O" : { "yield" : 2.0 }
+          },
+          "MUSICA name" : "UNKNOWN"
+        },
+        {
+          "type" : "PHOTOLYSIS",
+          "reactants" : {
+            "O2" : { }
+          },
+          "products" : {
+            "O" : { "yield" : 2.0 }
+          },
+          "MUSICA name" : "O2_1"
+        },
+        {
+          "type" : "PHOTOLYSIS",
+          "reactants" : {
+            "O3" : { }
+          },
+          "products" : {
+            "O1D" : { },
+            "O2" : { }
+          },
+          "MUSICA name" : "O3_1"
+        },
+        {
+          "type" : "PHOTOLYSIS",
+          "reactants" : {
+            "O3" : { }
+          },
+          "products" : {
+            "O" : { },
+            "O2" : { }
+          },
+          "MUSICA name" : "O3_2"
+        },
+        {
+          "type" : "ARRHENIUS",
+          "reactants" : {
+            "O1D" : { },
+            "N2" : { }
+          },
+          "products" : {
+            "O" : { },
+            "N2" : { }
+          },
+          "A" : 2.15e-11,
+          "C" : 110.0
+        },
+        {
+          "type" : "ARRHENIUS",
+          "reactants" : {
+            "O1D" : { },
+            "O2" : { }
+          },
+          "products" : {
+            "O" : { },
+            "O2" : { }
+          },
+          "A" : 3.3e-11,
+          "C" : 55.0
+        },
+        {
+          "type" : "ARRHENIUS",
+          "reactants" : {
+            "O" : { },
+            "O3" : { }
+          },
+          "products" : {
+            "O2" : { "yield" : 2.0 }
+          },
+          "A" : 8.0e-12,
+          "C" : -2060.00
+        },
+        {
+          "type" : "ARRHENIUS",
+          "reactants" : {
+            "O" : { },
+            "O2" : { },
+            "M" : { }
+          },
+          "products" : {
+            "O3" : { },
+            "M" : { }
+          },
+          "A" : 6.0e-34,
+          "B" : 2.4
+        },
+        {
+          "type" : "EMISSION",
+          "species" : "O1D",
+          "MUSICA name" : "O1D"
+        },
+        {
+          "type" : "EMISSION",
+          "species" : "O",
+          "MUSICA name" : "O"
+        },
+        {
+          "type" : "EMISSION",
+          "species" : "O3",
+          "MUSICA name" : "O3"
+        },
+        {
+          "type" : "FIRST_ORDER_LOSS",
+          "species" : "N2",
+          "MUSICA name" : "N2"
+        },
+        {
+          "type" : "FIRST_ORDER_LOSS",
+          "species" : "O2",
+          "MUSICA name" : "O2"
+        },
+        {
+          "type" : "FIRST_ORDER_LOSS",
+          "species" : "CO2",
+          "MUSICA name" : "CO2"
+        },
+        {
+          "type" : "FIRST_ORDER_LOSS",
+          "species" : "Ar",
+          "MUSICA name" : "Ar"
+        },
+        {
+          "type" : "FIRST_ORDER_LOSS",
+          "species" : "H2O",
+          "MUSICA name" : "H2O"
+        }
+      ]
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/CAMP/camp_unknown_key/camp_species.json b/test/unit/unit_configs/CAMP/camp_unknown_key/camp_species.json
new file mode 100644
index 000000000..75fc517ac
--- /dev/null
+++ b/test/unit/unit_configs/CAMP/camp_unknown_key/camp_species.json
@@ -0,0 +1,53 @@
+{
+  "camp-data" : [
+    {
+      "type" : "RELATIVE_TOLERANCE",
+      "value" : 1.0e-4
+    },
+    {
+      "name" : "M",
+      "type" : "CHEM_SPEC",
+      "tracer type" : "CONSTANT"
+    },
+    {
+      "name" : "Ar",
+      "type" : "CHEM_SPEC",
+      "absolute tolerance" : 1.0e-12
+    },
+    {
+      "name" : "CO2",
+      "type" : "CHEM_SPEC",
+      "absolute tolerance" : 1.0e-12
+    },
+    {
+      "name" : "H2O",
+      "type" : "CHEM_SPEC",
+      "absolute tolerance" : 1.0e-12
+    },
+    {
+      "name" : "N2",
+      "type" : "CHEM_SPEC",
+      "absolute tolerance" : 1.0e-12
+    },
+    {
+      "name" : "O1D",
+      "type" : "CHEM_SPEC",
+      "absolute tolerance" : 1.0e-12
+    },
+    {
+      "name" : "O",
+      "type" : "CHEM_SPEC",
+      "absolute tolerance" : 1.0e-12
+    },
+    {
+      "name" : "O2",
+      "type" : "CHEM_SPEC",
+      "absolute tolerance" : 1.0e-12
+    },
+    {
+      "name" : "O3",
+      "type" : "CHEM_SPEC",
+      "absolute tolerance" : 1.0e-12
+    }
+  ]
+}
\ No newline at end of file
diff --git a/test/unit/unit_configs/CAMP/camp_unknown_key/config.json b/test/unit/unit_configs/CAMP/camp_unknown_key/config.json
new file mode 100644
index 000000000..95836f060
--- /dev/null
+++ b/test/unit/unit_configs/CAMP/camp_unknown_key/config.json
@@ -0,0 +1 @@
+{"camp-files": ["camp_species.json", "camp_mechanism.json"]}

From 69e2951fb70dd91798ee1815605f93464470cd21 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 18:35:56 -0700
Subject: [PATCH 288/318] Save.

---
 include/micm/configure/solver_config.hpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 483139c0f..5285ed2af 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -1111,6 +1111,7 @@ namespace micm
         std::string msg = "Parsing configuration files failed. The parsing failed with error: " +
                           configParseStatusToString(last_parse_status_) +
                           this->last_json_object_.str();
+        std::cerr << msg << std::endl;
         throw std::runtime_error(msg);
       }
 

From 9c537dde619c05e82fb7e5b053a5f378e008d18c Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 18:54:20 -0700
Subject: [PATCH 289/318] Simplified unknown type JSON.

---
 test/unit/configure/test_solver_config.cpp    |   7 +
 .../CAMP/camp_unknown_key/camp_mechanism.json | 128 +-----------------
 .../CAMP/camp_unknown_key/camp_species.json   |  40 +-----
 3 files changed, 12 insertions(+), 163 deletions(-)

diff --git a/test/unit/configure/test_solver_config.cpp b/test/unit/configure/test_solver_config.cpp
index 837844734..f62e69914 100644
--- a/test/unit/configure/test_solver_config.cpp
+++ b/test/unit/configure/test_solver_config.cpp
@@ -21,6 +21,13 @@ TEST(SolverConfig, UnknownKey)
   micm::SolverConfig solverConfig{};
   auto status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_unknown_key/config.json");
   EXPECT_EQ(micm::ConfigParseStatus::UnknownKey, status);
+  try
+  {
+    micm::SolverParameters solver_params = solverConfig.GetSolverParams();
+  }
+  catch (...)
+  {
+  }
 }
 
 TEST(SolverConfig, ReadAndParseCAMPFiles)
diff --git a/test/unit/unit_configs/CAMP/camp_unknown_key/camp_mechanism.json b/test/unit/unit_configs/CAMP/camp_unknown_key/camp_mechanism.json
index 18c99c037..85df7aea4 100644
--- a/test/unit/unit_configs/CAMP/camp_unknown_key/camp_mechanism.json
+++ b/test/unit/unit_configs/CAMP/camp_unknown_key/camp_mechanism.json
@@ -7,136 +7,12 @@
         {
           "type" : "UNKNOWN",
           "reactants" : {
-            "O2" : { }
+            "A" : { }
           },
           "products" : {
-            "O" : { "yield" : 2.0 }
+            "B" : { "yield" : 2.0 }
           },
           "MUSICA name" : "UNKNOWN"
-        },
-        {
-          "type" : "PHOTOLYSIS",
-          "reactants" : {
-            "O2" : { }
-          },
-          "products" : {
-            "O" : { "yield" : 2.0 }
-          },
-          "MUSICA name" : "O2_1"
-        },
-        {
-          "type" : "PHOTOLYSIS",
-          "reactants" : {
-            "O3" : { }
-          },
-          "products" : {
-            "O1D" : { },
-            "O2" : { }
-          },
-          "MUSICA name" : "O3_1"
-        },
-        {
-          "type" : "PHOTOLYSIS",
-          "reactants" : {
-            "O3" : { }
-          },
-          "products" : {
-            "O" : { },
-            "O2" : { }
-          },
-          "MUSICA name" : "O3_2"
-        },
-        {
-          "type" : "ARRHENIUS",
-          "reactants" : {
-            "O1D" : { },
-            "N2" : { }
-          },
-          "products" : {
-            "O" : { },
-            "N2" : { }
-          },
-          "A" : 2.15e-11,
-          "C" : 110.0
-        },
-        {
-          "type" : "ARRHENIUS",
-          "reactants" : {
-            "O1D" : { },
-            "O2" : { }
-          },
-          "products" : {
-            "O" : { },
-            "O2" : { }
-          },
-          "A" : 3.3e-11,
-          "C" : 55.0
-        },
-        {
-          "type" : "ARRHENIUS",
-          "reactants" : {
-            "O" : { },
-            "O3" : { }
-          },
-          "products" : {
-            "O2" : { "yield" : 2.0 }
-          },
-          "A" : 8.0e-12,
-          "C" : -2060.00
-        },
-        {
-          "type" : "ARRHENIUS",
-          "reactants" : {
-            "O" : { },
-            "O2" : { },
-            "M" : { }
-          },
-          "products" : {
-            "O3" : { },
-            "M" : { }
-          },
-          "A" : 6.0e-34,
-          "B" : 2.4
-        },
-        {
-          "type" : "EMISSION",
-          "species" : "O1D",
-          "MUSICA name" : "O1D"
-        },
-        {
-          "type" : "EMISSION",
-          "species" : "O",
-          "MUSICA name" : "O"
-        },
-        {
-          "type" : "EMISSION",
-          "species" : "O3",
-          "MUSICA name" : "O3"
-        },
-        {
-          "type" : "FIRST_ORDER_LOSS",
-          "species" : "N2",
-          "MUSICA name" : "N2"
-        },
-        {
-          "type" : "FIRST_ORDER_LOSS",
-          "species" : "O2",
-          "MUSICA name" : "O2"
-        },
-        {
-          "type" : "FIRST_ORDER_LOSS",
-          "species" : "CO2",
-          "MUSICA name" : "CO2"
-        },
-        {
-          "type" : "FIRST_ORDER_LOSS",
-          "species" : "Ar",
-          "MUSICA name" : "Ar"
-        },
-        {
-          "type" : "FIRST_ORDER_LOSS",
-          "species" : "H2O",
-          "MUSICA name" : "H2O"
         }
       ]
     }
diff --git a/test/unit/unit_configs/CAMP/camp_unknown_key/camp_species.json b/test/unit/unit_configs/CAMP/camp_unknown_key/camp_species.json
index 75fc517ac..ac75910b9 100644
--- a/test/unit/unit_configs/CAMP/camp_unknown_key/camp_species.json
+++ b/test/unit/unit_configs/CAMP/camp_unknown_key/camp_species.json
@@ -1,53 +1,19 @@
 {
   "camp-data" : [
-    {
-      "type" : "RELATIVE_TOLERANCE",
-      "value" : 1.0e-4
-    },
     {
       "name" : "M",
       "type" : "CHEM_SPEC",
       "tracer type" : "CONSTANT"
     },
     {
-      "name" : "Ar",
-      "type" : "CHEM_SPEC",
-      "absolute tolerance" : 1.0e-12
-    },
-    {
-      "name" : "CO2",
-      "type" : "CHEM_SPEC",
-      "absolute tolerance" : 1.0e-12
-    },
-    {
-      "name" : "H2O",
-      "type" : "CHEM_SPEC",
-      "absolute tolerance" : 1.0e-12
-    },
-    {
-      "name" : "N2",
-      "type" : "CHEM_SPEC",
-      "absolute tolerance" : 1.0e-12
-    },
-    {
-      "name" : "O1D",
-      "type" : "CHEM_SPEC",
-      "absolute tolerance" : 1.0e-12
-    },
-    {
-      "name" : "O",
-      "type" : "CHEM_SPEC",
-      "absolute tolerance" : 1.0e-12
-    },
-    {
-      "name" : "O2",
+      "name" : "A",
       "type" : "CHEM_SPEC",
       "absolute tolerance" : 1.0e-12
     },
     {
-      "name" : "O3",
+      "name" : "B",
       "type" : "CHEM_SPEC",
       "absolute tolerance" : 1.0e-12
     }
   ]
-}
\ No newline at end of file
+}

From 8b5df488faa34a063621d6c59b3a403839a4689a Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 19:00:43 -0700
Subject: [PATCH 290/318] Format last JSON.

---
 include/micm/configure/solver_config.hpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 5285ed2af..661b0424b 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -1109,7 +1109,7 @@ namespace micm
       if (last_parse_status_ != ConfigParseStatus::Success)
       {
         std::string msg = "Parsing configuration files failed. The parsing failed with error: " +
-                          configParseStatusToString(last_parse_status_) +
+                          configParseStatusToString(last_parse_status_) + "\n" +
                           this->last_json_object_.str();
         std::cerr << msg << std::endl;
         throw std::runtime_error(msg);

From 408821b08e7dfd97456451ebecce4225465f5cf4 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 19:38:32 -0700
Subject: [PATCH 291/318] Added valid reaction.

---
 include/micm/configure/solver_config.hpp               |  4 ++--
 .../CAMP/camp_unknown_key/camp_mechanism.json          | 10 ++++++++++
 2 files changed, 12 insertions(+), 2 deletions(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 661b0424b..6222db42c 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -275,7 +275,7 @@ namespace micm
 
         if (status != ConfigParseStatus::Success)
         {
-          last_json_object_ << object.dump(4);
+          last_json_object_ << object.dump(4) << std::endl;
           break;
         }
       }
@@ -346,7 +346,7 @@ namespace micm
 
         if (status != ConfigParseStatus::Success)
         {
-          last_json_object_ << object.dump(4);
+          last_json_object_ << object.dump(4) << std::endl;
           break;
         }
       }
diff --git a/test/unit/unit_configs/CAMP/camp_unknown_key/camp_mechanism.json b/test/unit/unit_configs/CAMP/camp_unknown_key/camp_mechanism.json
index 85df7aea4..9d7d2f408 100644
--- a/test/unit/unit_configs/CAMP/camp_unknown_key/camp_mechanism.json
+++ b/test/unit/unit_configs/CAMP/camp_unknown_key/camp_mechanism.json
@@ -4,6 +4,16 @@
       "name" : "Chapman",
       "type" : "MECHANISM",
       "reactions" : [
+        {
+          "type" : "PHOTOLYSIS",
+          "reactants" : {
+            "A" : { }
+          },
+          "products" : {
+            "B" : { "yield" : 2.0 }
+          },
+          "MUSICA name" : "R_AB"
+        },
         {
           "type" : "UNKNOWN",
           "reactants" : {

From a378efaac0bbd879b5c00012079ab4e6f7e8b5c7 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 19:58:02 -0700
Subject: [PATCH 292/318] Save.

---
 include/micm/configure/solver_config.hpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 6222db42c..350f8a8d1 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -346,6 +346,7 @@ namespace micm
 
         if (status != ConfigParseStatus::Success)
         {
+          std::cout << "TEST" << std::endl;
           last_json_object_ << object.dump(4) << std::endl;
           break;
         }

From dc662bf37e9eec957f2c84ab804481c9b934a1a7 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Sun, 19 Nov 2023 20:13:52 -0700
Subject: [PATCH 293/318] Save.

---
 include/micm/configure/solver_config.hpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 350f8a8d1..4ebcf22d1 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -346,7 +346,7 @@ namespace micm
 
         if (status != ConfigParseStatus::Success)
         {
-          std::cout << "TEST" << std::endl;
+          std::cerr << type << std::endl;
           last_json_object_ << object.dump(4) << std::endl;
           break;
         }

From 1ae1ec08f56feac1a1664a7db4e4e00adc5223bb Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 20 Nov 2023 08:02:26 -0700
Subject: [PATCH 294/318] Omit long MECHANISM lists in last JSON error
 messages.

---
 include/micm/configure/solver_config.hpp | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 4ebcf22d1..0741ebad4 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -346,8 +346,10 @@ namespace micm
 
         if (status != ConfigParseStatus::Success)
         {
-          std::cerr << type << std::endl;
-          last_json_object_ << object.dump(4) << std::endl;
+          if (type != "MECHANISM")
+          {
+            last_json_object_ << object.dump(4) << std::endl;
+          }
           break;
         }
       }

From 1ba7cf535b0160c80a7d5d04e0d3adb61eeacddc Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 20 Nov 2023 14:01:07 -0700
Subject: [PATCH 295/318] In TEST(SolverConfig, UnknownKey), catch
 std::runtime_error.

---
 test/unit/configure/test_solver_config.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/test/unit/configure/test_solver_config.cpp b/test/unit/configure/test_solver_config.cpp
index f62e69914..59043266d 100644
--- a/test/unit/configure/test_solver_config.cpp
+++ b/test/unit/configure/test_solver_config.cpp
@@ -25,7 +25,7 @@ TEST(SolverConfig, UnknownKey)
   {
     micm::SolverParameters solver_params = solverConfig.GetSolverParams();
   }
-  catch (...)
+  catch (std::runtime_error)
   {
   }
 }

From e1f22598054db3475f89662d83c4ee07b79081c8 Mon Sep 17 00:00:00 2001
From: David Fillmore <fillmore@ucar.edu>
Date: Mon, 20 Nov 2023 14:14:09 -0700
Subject: [PATCH 296/318] Added additional unit test for bad JSON output.

---
 test/unit/configure/test_solver_config.cpp    | 14 +++++++++++++
 .../CAMP/camp_bad_type/camp_mechanism.json    | 20 +++++++++++++++++++
 .../CAMP/camp_bad_type/camp_species.json      | 19 ++++++++++++++++++
 .../CAMP/camp_bad_type/config.json            |  1 +
 4 files changed, 54 insertions(+)
 create mode 100644 test/unit/unit_configs/CAMP/camp_bad_type/camp_mechanism.json
 create mode 100644 test/unit/unit_configs/CAMP/camp_bad_type/camp_species.json
 create mode 100644 test/unit/unit_configs/CAMP/camp_bad_type/config.json

diff --git a/test/unit/configure/test_solver_config.cpp b/test/unit/configure/test_solver_config.cpp
index 59043266d..16777202f 100644
--- a/test/unit/configure/test_solver_config.cpp
+++ b/test/unit/configure/test_solver_config.cpp
@@ -30,6 +30,20 @@ TEST(SolverConfig, UnknownKey)
   }
 }
 
+TEST(SolverConfig, BadType)
+{
+  micm::SolverConfig solverConfig{};
+  auto status = solverConfig.ReadAndParse("./unit_configs/CAMP/camp_bad_type/config.json");
+  EXPECT_EQ(micm::ConfigParseStatus::UnknownKey, status);
+  try
+  {
+    micm::SolverParameters solver_params = solverConfig.GetSolverParams();
+  }
+  catch (std::runtime_error)
+  {
+  }
+}
+
 TEST(SolverConfig, ReadAndParseCAMPFiles)
 {
   micm::SolverConfig solverConfig{};
diff --git a/test/unit/unit_configs/CAMP/camp_bad_type/camp_mechanism.json b/test/unit/unit_configs/CAMP/camp_bad_type/camp_mechanism.json
new file mode 100644
index 000000000..b92e49014
--- /dev/null
+++ b/test/unit/unit_configs/CAMP/camp_bad_type/camp_mechanism.json
@@ -0,0 +1,20 @@
+{
+  "camp-data" : [
+    {
+      "name" : "Chapman",
+      "type" : "MECHANISM",
+      "reactions" : [
+        {
+          "type" : "PHOTOLYSIS",
+          "reactants" : {
+            "A" : { }
+          },
+          "products" : {
+            "B" : { "yield" : 2.0 }
+          },
+          "MUSICA name" : "R_AB"
+        }
+      ]
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/CAMP/camp_bad_type/camp_species.json b/test/unit/unit_configs/CAMP/camp_bad_type/camp_species.json
new file mode 100644
index 000000000..d3ac03536
--- /dev/null
+++ b/test/unit/unit_configs/CAMP/camp_bad_type/camp_species.json
@@ -0,0 +1,19 @@
+{
+  "camp-data" : [
+    {
+      "name" : "A",
+      "type" : "CHEM_SPEC",
+      "absolute tolerance" : 1.0e-12
+    },
+    {
+      "name" : "B",
+      "type" : "CHEM_SPEC",
+      "absolute tolerance" : 1.0e-12
+    },
+    {
+      "name" : "M",
+      "type" : "MOLECULE",
+      "tracer type" : "CONSTANT"
+    }
+  ]
+}
diff --git a/test/unit/unit_configs/CAMP/camp_bad_type/config.json b/test/unit/unit_configs/CAMP/camp_bad_type/config.json
new file mode 100644
index 000000000..95836f060
--- /dev/null
+++ b/test/unit/unit_configs/CAMP/camp_bad_type/config.json
@@ -0,0 +1 @@
+{"camp-files": ["camp_species.json", "camp_mechanism.json"]}

From 3e253e654b69879011c2ecce1d0c2c561aa7a433 Mon Sep 17 00:00:00 2001
From: GitHub Actions <actions@github.com>
Date: Tue, 21 Nov 2023 17:24:25 +0000
Subject: [PATCH 297/318] Auto-format code using Clang-Format

---
 include/micm/configure/solver_config.hpp | 5 ++---
 1 file changed, 2 insertions(+), 3 deletions(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 0741ebad4..3d5621278 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -7,7 +7,6 @@
 #include <array>
 #include <filesystem>
 #include <fstream>
-#include <sstream>
 #include <iostream>
 #include <micm/process/arrhenius_rate_constant.hpp>
 #include <micm/process/branched_rate_constant.hpp>
@@ -22,6 +21,7 @@
 #include <micm/system/system.hpp>
 #include <micm/util/constants.hpp>
 #include <nlohmann/json.hpp>
+#include <sstream>
 
 namespace micm
 {
@@ -1112,8 +1112,7 @@ namespace micm
       if (last_parse_status_ != ConfigParseStatus::Success)
       {
         std::string msg = "Parsing configuration files failed. The parsing failed with error: " +
-                          configParseStatusToString(last_parse_status_) + "\n" +
-                          this->last_json_object_.str();
+                          configParseStatusToString(last_parse_status_) + "\n" + this->last_json_object_.str();
         std::cerr << msg << std::endl;
         throw std::runtime_error(msg);
       }

From 5212eafcca488eb95bf831c55c25dc31b95af6c8 Mon Sep 17 00:00:00 2001
From: Qina Tan <72781532+qinatan@users.noreply.github.com>
Date: Tue, 21 Nov 2023 10:32:56 -0700
Subject: [PATCH 298/318] Cuda solver (#358)

* cuda solve done - no testing yet

* argument changed

* test added for solve()

* test

* fixing bug

* fixing bug

* fixing bug

* modified variable name

* fixing bug

* fixing debug

* fixing bug

* added function call

* added kernel call

* fixing bug

* fixing bug

* fixing bug

* fixing bugs

* fixing test template

* added constructor

* modified constructor

* modified constructor

* modified constructor

* modified test

* modified test

* modified test

* modified constructor

* test

* modified constructor

* modified constructor

* test

* test

* test

* modified constructor

* added CudaLuDecomposition Constructor

* test

* test

* added header

* test

* test

* test

* modified

* test

* test

* ready to test

* bug

* segment fault fixed?

* segfault fixed?

* memory issue

* memory issue fixed?

* test segfault

* test memory

* test memory

* print

* test on gpu node

* assignment after memory allocation

* print

* print

* no array access

* no memory copy

* uncomment

* test

* run on cpu only

* debug cpu code

* empty function

* add constructor

* changed to LuDecomposition

* test with LuDecomposition class

* without kernel

* finding segment fault

* minor change

* minor change

* finding segment fault

* finding segment fault

* finding segment fault

* finding segment fault

* finding segment fault

* finding segment fault

* no cudafree

* find memory fault

* find memory fault

* find memory fault

* find memory fault

* find memory fault

* find memory fault

* find memory fault

* runnning all tests

* clean up print statements

* added time measurement

* added bit by bit GPU accuracy testing.. not yet merge main

* added licent

* added endif

* fixing bug

* removed used_cuda

* no gpu validation test

* no gpu validation

* modified solve function

* added gpuValidation

* added licent

* uncommented cudafreee

* used #pramga once

* used #pramga once
---
 include/micm/solver/cuda_linear_solver.cuh    |  17 +
 include/micm/solver/cuda_linear_solver.hpp    |  56 +++
 include/micm/solver/cuda_lu_decomposition.hpp |  90 ++---
 include/micm/solver/linear_solver.hpp         |   2 +-
 include/micm/solver/linear_solver.inl         |   1 -
 include/micm/util/cuda_param.hpp              | 141 ++++---
 src/solver/CMakeLists.txt                     |   1 +
 src/solver/linear_solver.cu                   | 157 ++++++++
 src/solver/lu_decomposition.cu                | 357 +++++++++---------
 test/unit/solver/CMakeLists.txt               |   1 +
 test/unit/solver/test_cuda_linear_solver.cpp  | 164 ++++++++
 .../solver/test_cuda_lu_decomposition.cpp     |   2 +-
 12 files changed, 694 insertions(+), 295 deletions(-)
 create mode 100644 include/micm/solver/cuda_linear_solver.cuh
 create mode 100644 include/micm/solver/cuda_linear_solver.hpp
 create mode 100644 src/solver/linear_solver.cu
 create mode 100644 test/unit/solver/test_cuda_linear_solver.cpp

diff --git a/include/micm/solver/cuda_linear_solver.cuh b/include/micm/solver/cuda_linear_solver.cuh
new file mode 100644
index 000000000..f2014dbb0
--- /dev/null
+++ b/include/micm/solver/cuda_linear_solver.cuh
@@ -0,0 +1,17 @@
+// Copyright (C) 2023 National Center for Atmospheric Research,
+//
+// SPDX-License-Identifier: Apache-2.0
+
+#pragma once
+#include <micm/util/cuda_param.hpp>
+#include <vector>
+namespace micm
+{
+  namespace cuda
+  {
+    std::chrono::nanoseconds SolveKernelDriver(
+     CudaLinearSolverParam& linearSolver,
+     CudaSparseMatrixParam& sparseMatrix, 
+     CudaMatrixParam& denseMatrix);
+  }  // namespace cuda
+}  // namespace micm
diff --git a/include/micm/solver/cuda_linear_solver.hpp b/include/micm/solver/cuda_linear_solver.hpp
new file mode 100644
index 000000000..6b7190d61
--- /dev/null
+++ b/include/micm/solver/cuda_linear_solver.hpp
@@ -0,0 +1,56 @@
+// Copyright (C) 2023 National Center for Atmospheric Research,
+//
+// SPDX-License-Identifier: Apache-2.0
+#pragma once
+#include <chrono>
+#include <functional>
+#include <micm/solver/linear_solver.hpp> 
+#include <micm/solver/lu_decomposition.hpp>
+#include <micm/solver/cuda_lu_decomposition.hpp>
+#include <micm/util/cuda_param.hpp>
+#include <micm/solver/cuda_linear_solver.cuh>
+
+namespace micm{
+    template<typename T, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy = CudaLuDecomposition>
+    class CudaLinearSolver : public LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy> {
+    public:
+        //constructor
+        CudaLinearSolver(){};
+
+        CudaLinearSolver(const SparseMatrixPolicy<T>& matrix, T initial_value): LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy> (matrix, initial_value){};
+    
+        CudaLinearSolver(const SparseMatrixPolicy<T>& matrix, T initial_value, const std::function<LuDecompositionPolicy(const SparseMatrixPolicy<T>&)> create_lu_decomp)
+        : linearSolver(matrix, initial_value, create_lu_decomp); 
+       
+        template<template<class> class MatrixPolicy > 
+        requires(VectorizableDense<MatrixPolicy<T>> || VectorizableSparse<SparseMatrixPolicy<T>>)
+        std::chrono::nanoseconds Solve(const MatrixPolicy<T>&b, MatrixPolicy<T>& x, SparseMatrixPolicy<T>& lower_matrix,
+        SparseMatrixPolicy<T>& upper_matrix)
+        {
+            CudaLinearSolverParam linearSolver;
+            CudaSparseMatrixParam sparseMatrix; 
+            CudaMatrixParam denseMatrix;
+            linearSolver.nLij_Lii_ = this->nLij_Lii_.data(); 
+            linearSolver.nLij_Lii_size_ = this->nLij_Lii_.size(); 
+            linearSolver.Lij_yj_= this->Lij_yj_.data();
+            linearSolver.Lij_yj_size_ = this->Lij_yj_.size();
+            linearSolver.nUij_Uii_ = this->nUij_Uii_.data();
+            linearSolver.nUij_Uii_size_ = this->nUij_Uii_.size();
+            linearSolver.Uij_xj_ = this->Uij_xj_.data(); 
+            linearSolver.Uij_xj_size_ = this->Uij_xj_.size(); 
+            sparseMatrix.lower_matrix_ = lower_matrix.AsVector().data(); 
+            sparseMatrix.lower_matrix_size_ = lower_matrix.AsVector().size();
+            sparseMatrix.upper_matrix_ = upper_matrix.AsVector().data(); 
+            sparseMatrix.upper_matrix_size_ = upper_matrix.AsVector().size(); 
+            denseMatrix.b_ = b.AsVector().data(); 
+            denseMatrix.x_ = x.AsVector().data();
+            denseMatrix.b_size_= b.AsVector().size();
+            denseMatrix.x_size_= x.AsVector().size();
+            denseMatrix.n_grids_ = b.size(); //number of grids
+            denseMatrix.b_column_counts_ = b[0].size(); 
+            denseMatrix.x_column_counts_= x[0].size();
+            //calling kernel driver
+            return micm::cuda::SolveKernelDriver(linearSolver, sparseMatrix, denseMatrix);
+        };
+    };
+}//end micm
diff --git a/include/micm/solver/cuda_lu_decomposition.hpp b/include/micm/solver/cuda_lu_decomposition.hpp
index 118a64fe7..710b63604 100644
--- a/include/micm/solver/cuda_lu_decomposition.hpp
+++ b/include/micm/solver/cuda_lu_decomposition.hpp
@@ -9,12 +9,14 @@
 #include <micm/util/cuda_param.hpp>
 #include <stdexcept>
 
-namespace micm
-{
-  class CudaLuDecomposition : public LuDecomposition
-  {
-   public:
-    CudaLuDecomposition(){};
+
+namespace micm{
+    class CudaLuDecomposition: public LuDecomposition{
+    public: 
+    CudaLuDecomposition(){}; 
+
+    template<typename T, typename OrderingPolicy>
+    CudaLuDecomposition(const SparseMatrix<T, OrderingPolicy>& matrix): LuDecomposition(matrix){};    
 
     template<typename T, template<class> typename SparseMatrixPolicy>
     requires VectorizableSparse<SparseMatrixPolicy<T>> std::chrono::nanoseconds
@@ -22,44 +24,46 @@ namespace micm
     const;
   };
 
-  template<typename T, template<class> class SparseMatrixPolicy>
-  requires(VectorizableSparse<SparseMatrixPolicy<T>>) std::chrono::nanoseconds
-      CudaLuDecomposition::Decompose(const SparseMatrixPolicy<T>& A, SparseMatrixPolicy<T>& L, SparseMatrixPolicy<T>& U)
-  const
-  {
-    CudaSparseMatrixParam sparseMatrix;
-    sparseMatrix.A_ = A.AsVector().data();
-    sparseMatrix.A_size_ = A.AsVector().size();
-    sparseMatrix.L_ = L.AsVector().data();
-    sparseMatrix.L_size_ = L.AsVector().size();
-    sparseMatrix.U_ = U.AsVector().data();
-    sparseMatrix.U_size_ = U.AsVector().size();
-    sparseMatrix.n_grids_ = A.size();
-
-    CudaSolverParam solver;
-    solver.do_aik_ = do_aik_.data();
-    solver.do_aik_size_ = do_aik_.size();
-    solver.aik_ = aik_.data();
-    solver.aik_size_ = aik_.size();
-    solver.do_aki_ = do_aki_.data();
-    solver.do_aki_size_ = do_aki_.size();
-    solver.aki_ = aki_.data();
-    solver.aki_size_ = aki_.size();
-    solver.uii_ = uii_.data();
-    solver.uii_size_ = uii_.size();
-
-    solver.niLU_ = niLU_.data();
-    solver.niLU_size_ = niLU_.size();
-    solver.uik_nkj_ = uik_nkj_.data();
-    solver.uik_nkj_size_ = uik_nkj_.size();
-    solver.lij_ujk_ = lij_ujk_.data();
-    solver.lij_ujk_size_ = lij_ujk_.size();
-    solver.lki_nkj_ = lki_nkj_.data();
-    solver.lki_nkj_size_ = lki_nkj_.size();
-    solver.lkj_uji_ = lkj_uji_.data();
-    solver.lkj_uji_size_ = lkj_uji_.size();
+    template<typename T, template<class> class SparseMatrixPolicy>
+    requires(VectorizableSparse<SparseMatrixPolicy<T>>) 
+    std::chrono::nanoseconds CudaLuDecomposition::Decompose(
+        const SparseMatrixPolicy<T>& A, 
+        SparseMatrixPolicy<T>& L, 
+        SparseMatrixPolicy<T>& U) const
+    {
+        CudaSparseMatrixParam sparseMatrix; 
+        sparseMatrix.A_ = A.AsVector().data(); 
+        sparseMatrix.A_size_ = A.AsVector().size(); 
+        sparseMatrix.L_ = L.AsVector().data(); 
+        sparseMatrix.L_size_ = L.AsVector().size(); 
+        sparseMatrix.U_ = U.AsVector().data(); 
+        sparseMatrix.U_size_ = U.AsVector().size(); 
+        sparseMatrix.n_grids_ = A.size();
+        
+        CudaSolverParam solver;    
+        solver.do_aik_ = this->do_aik_.data(); 
+        solver.do_aik_size_ = this->do_aik_.size(); 
+        solver.aik_ = this->aik_.data(); 
+        solver.aik_size_ = this->aik_.size(); 
+        solver.do_aki_ = this->do_aki_.data(); 
+        solver.do_aki_size_ = this->do_aki_.size(); 
+        solver.aki_ = this->aki_.data(); 
+        solver.aki_size_ = this->aki_.size(); 
+        solver.uii_ = this->uii_.data(); 
+        solver.uii_size_ = this->uii_.size(); 
+        
+        solver.niLU_ = this->niLU_.data(); 
+        solver.niLU_size_ = this->niLU_.size(); 
+        solver.uik_nkj_ = this->uik_nkj_.data(); 
+        solver.uik_nkj_size_ = this->uik_nkj_.size(); 
+        solver.lij_ujk_ = this->lij_ujk_.data(); 
+        solver.lij_ujk_size_ = this->lij_ujk_.size(); 
+        solver.lki_nkj_ = this->lki_nkj_.data(); 
+        solver.lki_nkj_size_ = this->lki_nkj_.size(); 
+        solver.lkj_uji_ =  this->lkj_uji_.data(); 
+        solver.lkj_uji_size_ = this->lkj_uji_.size(); 
 
     // calling kernelSetup function
     return micm::cuda::DecomposeKernelDriver(sparseMatrix, solver);
   }
-}  // namespace micm
\ No newline at end of file
+}  // namespace micm
diff --git a/include/micm/solver/linear_solver.hpp b/include/micm/solver/linear_solver.hpp
index 9af334502..150cf0276 100644
--- a/include/micm/solver/linear_solver.hpp
+++ b/include/micm/solver/linear_solver.hpp
@@ -50,7 +50,7 @@ namespace micm
 
     LuDecompositionPolicy lu_decomp_;
 
-   public:
+    public:
     /// @brief default constructor
     LinearSolver(){};
 
diff --git a/include/micm/solver/linear_solver.inl b/include/micm/solver/linear_solver.inl
index 741958ff6..74d2724c1 100644
--- a/include/micm/solver/linear_solver.inl
+++ b/include/micm/solver/linear_solver.inl
@@ -3,7 +3,6 @@
 
 namespace micm
 {
-
   template<template<class> class MatrixPolicy>
   inline std::vector<std::size_t> DiagonalMarkowitzReorder(const MatrixPolicy<int>& matrix)
   {
diff --git a/include/micm/util/cuda_param.hpp b/include/micm/util/cuda_param.hpp
index 759e2bf4b..411920294 100644
--- a/include/micm/util/cuda_param.hpp
+++ b/include/micm/util/cuda_param.hpp
@@ -1,69 +1,88 @@
 // Copyright (C) 2023 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
+
 #pragma once
+#include<vector>
 
-#include <vector>
+  const size_t BLOCK_SIZE = 320;
+  //member data of class CudaProcessSet grouped in struct passing to kernel driver function 
+  struct CudaProcessSetParam{
+    const size_t* number_of_reactants_; 
+    const size_t* reactant_ids_; 
+    size_t reactant_ids_size_; 
+    const size_t* number_of_products_; 
+    const size_t* product_ids_; 
+    size_t product_ids_size_; 
+    const double* yields_; 
+    size_t yields_size_; 
+    const size_t* jacobian_flat_ids_; 
+    size_t jacobian_flat_ids_size_; 
+}; 
 
-// member data of class CudaProcessSet grouped in struct passing to kernel driver function
-const size_t BLOCK_SIZE = 320;
-struct CudaProcessSetParam
-{
-  const size_t* number_of_reactants_;
-  const size_t* reactant_ids_;
-  size_t reactant_ids_size_;
-  const size_t* number_of_products_;
-  const size_t* product_ids_;
-  size_t product_ids_size_;
-  const double* yields_;
-  size_t yields_size_;
-  const size_t* jacobian_flat_ids_;
-  size_t jacobian_flat_ids_size_;
-};
+  struct CudaSolverParam{
+    const std::pair<size_t, size_t>* niLU_; 
+    size_t niLU_size_;
+    const char* do_aik_;
+    size_t do_aik_size_; 
+    const size_t* aik_;
+    size_t aik_size_;  
+    const std::pair<size_t, size_t>* uik_nkj_; 
+    size_t uik_nkj_size_; 
+    const std::pair<size_t, size_t>* lij_ujk_; 
+    size_t lij_ujk_size_; 
+    const char* do_aki_;
+    size_t do_aki_size_; 
+    const size_t* aki_; 
+    size_t aki_size_;
+    const std::pair<size_t, size_t>* lki_nkj_;
+    size_t lki_nkj_size_; 
+    const std::pair<size_t, size_t>* lkj_uji_;  
+    size_t lkj_uji_size_;  
+    const size_t* uii_; 
+    size_t uii_size_; 
+  };
+  
+  struct CudaLinearSolverParam{
+    const std::pair<size_t, size_t>* nLij_Lii_; 
+    size_t nLij_Lii_size_;
+    const std::pair<size_t, size_t>* Lij_yj_; 
+    size_t Lij_yj_size_;
+    const std::pair<size_t, size_t>* nUij_Uii_;
+    size_t nUij_Uii_size_;
+    const std::pair< size_t, size_t>* Uij_xj_;
+    size_t Uij_xj_size_;
+  };
 
-struct CudaSolverParam
-{
-  const std::pair<size_t, size_t>* niLU_;
-  size_t niLU_size_;
-  const char* do_aik_;
-  size_t do_aik_size_;
-  const size_t* aik_;
-  size_t aik_size_;
-  const std::pair<size_t, size_t>* uik_nkj_;
-  size_t uik_nkj_size_;
-  const std::pair<size_t, size_t>* lij_ujk_;
-  size_t lij_ujk_size_;
-  const char* do_aki_;
-  size_t do_aki_size_;
-  const size_t* aki_;
-  size_t aki_size_;
-  const std::pair<size_t, size_t>* lki_nkj_;
-  size_t lki_nkj_size_;
-  const std::pair<size_t, size_t>* lkj_uji_;
-  size_t lkj_uji_size_;
-  const size_t* uii_;
-  size_t uii_size_;
-};
-// different matrix data grouped in struct passing to kernel driver function
-struct CudaMatrixParam
-{
-  const double* rate_constants_;
-  const double* state_variables_;
-  double* forcing_;
-  size_t n_grids_;
-  size_t n_reactions_;
-  size_t n_species_;
+ //different matrix data grouped in struct passing to kernel driver function 
+    struct CudaMatrixParam{
+     const double* rate_constants_; 
+     const double* state_variables_; 
+     double* forcing_; 
+     const double* b_; 
+     double* x_;
+     size_t x_size_;
+     size_t b_size_;
+     size_t n_grids_; 
+     size_t n_reactions_; 
+     size_t n_species_; 
+     size_t b_column_counts_; 
+     size_t x_column_counts_;
+}; 
+
+//sparseMatrix data grouped in struct passing to kernel driver function 
+struct CudaSparseMatrixParam{
+   double* jacobian_; 
+   size_t jacobian_size_; 
+   const double* A_; 
+   size_t A_size_; 
+   double* L_; 
+   size_t L_size_; 
+   double* U_;
+   size_t U_size_; 
+   size_t n_grids_;
+   const double* lower_matrix_; 
+   size_t lower_matrix_size_; 
+   const double* upper_matrix_; 
+   size_t upper_matrix_size_; 
 };
-// sparseMatrix data grouped in struct passing to kernel driver function
-struct CudaSparseMatrixParam
-{
-  double* jacobian_;
-  size_t jacobian_size_;
-  const double* A_;
-  size_t A_size_;
-  double* L_;
-  size_t L_size_;
-  double* U_;
-  size_t U_size_;
-  size_t n_grids_;
-};
\ No newline at end of file
diff --git a/src/solver/CMakeLists.txt b/src/solver/CMakeLists.txt
index caf73c9da..2c5ca20ee 100644
--- a/src/solver/CMakeLists.txt
+++ b/src/solver/CMakeLists.txt
@@ -2,5 +2,6 @@ if(ENABLE_CUDA)
   target_sources(micm_cuda
      PRIVATE
      lu_decomposition.cu
+     linear_solver.cu
   )
 endif()
\ No newline at end of file
diff --git a/src/solver/linear_solver.cu b/src/solver/linear_solver.cu
new file mode 100644
index 000000000..ae8d6f32e
--- /dev/null
+++ b/src/solver/linear_solver.cu
@@ -0,0 +1,157 @@
+// Copyright (C) 2023 National Center for Atmospheric Research,
+//
+// SPDX-License-Identifier: Apache-2.0
+
+#include <iostream> 
+#include <vector>
+#include <chrono>
+#include <micm/util/cuda_param.hpp> 
+struct SolveDevice{
+    std::pair<size_t, size_t>* nLij_Lii_;
+    std::pair<size_t, size_t>* Lij_yj_; 
+    std::pair<size_t, size_t>* nUij_Uii_;
+    std::pair<size_t, size_t>* Uij_xj_;
+    double* lower_matrix_;
+    double* upper_matrix_; 
+    double* b_; 
+    double* x_;
+};
+namespace micm{
+    namespace cuda{
+__global__ void SolveKernel(SolveDevice* device, 
+                            size_t n_grids,
+                            size_t b_column_counts,
+                            size_t x_column_counts,
+                            size_t nLij_Lii_size,
+                            size_t nUij_Uii_size)
+{
+    size_t tid = blockIdx.x * blockDim.x + threadIdx.x;
+
+    double* b = device->b_;
+    double* x = device->x_;
+    double* y = device->x_; //Alias x for consistency with equation, but to reuse memory
+    double* lower_matrix = device->lower_matrix_;
+    double* upper_matrix = device->upper_matrix_;
+    std::pair<size_t, size_t>* nLij_Lii = device->nLij_Lii_;
+    std::pair<size_t, size_t>* Lij_yj = device->Lij_yj_;
+    std::pair<size_t, size_t>* nUij_Uii = device->nUij_Uii_;
+    std::pair<size_t, size_t>* Uij_xj = device->Uij_xj_;
+
+   if (tid < n_grids)
+   { 
+        size_t b_column_index = 0;
+        size_t x_column_index = 0;
+        size_t y_column_index = 0;
+        size_t b_column_backward_index = b_column_counts -1;
+        size_t x_column_backward_index = x_column_counts -1;
+        size_t Lij_yj_index = 0; 
+        size_t Uij_xj_index = 0;
+       
+        for (size_t j = 0; j < nLij_Lii_size; ++j)
+        {
+            auto& nLij_Lii_element = nLij_Lii[j]; 
+            y[y_column_index * n_grids + tid] = b[b_column_index++ * n_grids + tid]; 
+            for (size_t i = 0; i < nLij_Lii_element.first; ++i)
+            {
+                size_t lower_matrix_index = Lij_yj[Lij_yj_index].first + tid;
+                size_t y_index = Lij_yj[Lij_yj_index].second * n_grids + tid; 
+                y[y_column_index * n_grids + tid] -= lower_matrix[lower_matrix_index] * y[y_index];
+                ++Lij_yj_index;  
+            }
+            y[y_column_index++ * n_grids + tid] /= lower_matrix[nLij_Lii_element.second + tid]; 
+        }
+        
+        for (size_t k = 0; k < nUij_Uii_size; ++k)
+        {   
+            auto& nUij_Uii_element = nUij_Uii[k]; 
+        
+            for (size_t i = 0; i < nUij_Uii_element.first; ++i)
+            {
+                size_t upper_matrix_index = Uij_xj[Uij_xj_index].first + tid;
+                size_t x_index = Uij_xj[Uij_xj_index].second * n_grids + tid;
+                x[x_column_backward_index * n_grids + tid] -= upper_matrix[upper_matrix_index] * x[x_index];
+                ++Uij_xj_index;
+            }
+            x[x_column_backward_index * n_grids + tid] /= upper_matrix[nUij_Uii_element.second + tid];
+            
+            if (x_column_backward_index != 0)
+            {
+                --x_column_backward_index;
+            }
+        }
+    }
+}
+    std::chrono::nanoseconds SolveKernelDriver(CudaLinearSolverParam& linearSolver,CudaSparseMatrixParam& sparseMatrix, CudaMatrixParam& denseMatrix)
+    {
+    //create device pointer
+    std::pair<size_t, size_t>* d_nLij_Lii; 
+    std::pair<size_t, size_t>* d_Lij_yj; 
+    std::pair<size_t, size_t>* d_nUij_Uii; 
+    std::pair<size_t, size_t>* d_Uij_xj;
+    double* d_lower_matrix; 
+    double* d_upper_matrix;
+    double* d_b; 
+    double* d_x;
+    SolveDevice* device;
+
+    //allocate device memory 
+    cudaMalloc(&d_nLij_Lii, sizeof(std::pair<size_t, size_t>)* linearSolver.nLij_Lii_size_); 
+    cudaMalloc(&d_Lij_yj, sizeof(std::pair<size_t, size_t>)* linearSolver.Lij_yj_size_); 
+    cudaMalloc(&d_nUij_Uii, sizeof(std::pair<size_t, size_t>)* linearSolver.nUij_Uii_size_);
+    cudaMalloc(&d_Uij_xj, sizeof(std::pair<size_t, size_t>)* linearSolver.Uij_xj_size_); 
+    
+    cudaMalloc(&d_lower_matrix, sizeof(double)* sparseMatrix.lower_matrix_size_); 
+    cudaMalloc(&d_upper_matrix, sizeof(double)* sparseMatrix.upper_matrix_size_);
+    cudaMalloc(&d_b, sizeof(double)* denseMatrix.b_size_);
+    cudaMalloc(&d_x, sizeof(double)* denseMatrix.x_size_); 
+    cudaMalloc(&device, sizeof(SolveDevice));
+
+    //transfer memory from host to device
+    cudaMemcpy(d_nLij_Lii, linearSolver.nLij_Lii_, sizeof(std::pair<size_t, size_t>)* linearSolver.nLij_Lii_size_,cudaMemcpyHostToDevice);
+    cudaMemcpy(d_Lij_yj, linearSolver.Lij_yj_, sizeof(std::pair<size_t, size_t>)* linearSolver.Lij_yj_size_,cudaMemcpyHostToDevice);
+    cudaMemcpy(d_nUij_Uii, linearSolver.nUij_Uii_, sizeof(std::pair<size_t, size_t>)* linearSolver.nUij_Uii_size_,cudaMemcpyHostToDevice);
+    cudaMemcpy(d_Uij_xj, linearSolver.Uij_xj_, sizeof(std::pair<size_t, size_t>)* linearSolver.Uij_xj_size_, cudaMemcpyHostToDevice);
+    
+    cudaMemcpy(d_lower_matrix, sparseMatrix.lower_matrix_, sizeof(double)*sparseMatrix.lower_matrix_size_, cudaMemcpyHostToDevice);
+    cudaMemcpy(d_upper_matrix, sparseMatrix.upper_matrix_, sizeof(double)*sparseMatrix.upper_matrix_size_, cudaMemcpyHostToDevice);
+    cudaMemcpy(d_b, denseMatrix.b_, sizeof(double)* denseMatrix.b_size_, cudaMemcpyHostToDevice);
+    cudaMemcpy(d_x, denseMatrix.x_, sizeof(double)* denseMatrix.x_size_, cudaMemcpyHostToDevice);
+    
+    cudaMemcpy(&(device->nLij_Lii_), &d_nLij_Lii, sizeof(std::pair<size_t, size_t>*),cudaMemcpyHostToDevice);
+    cudaMemcpy(&(device->Lij_yj_), &d_Lij_yj, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
+    cudaMemcpy(&(device->nUij_Uii_), &d_nUij_Uii, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
+    cudaMemcpy(&(device->Uij_xj_), &d_Uij_xj, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
+    
+    cudaMemcpy(&(device->lower_matrix_), &d_lower_matrix, sizeof(double*), cudaMemcpyHostToDevice);
+    cudaMemcpy(&(device->upper_matrix_), &d_upper_matrix, sizeof(double*), cudaMemcpyHostToDevice);
+    cudaMemcpy(&(device->b_), &d_b, sizeof(double*), cudaMemcpyHostToDevice); 
+    cudaMemcpy(&(device->x_),&d_x, sizeof(double*), cudaMemcpyHostToDevice);
+    
+    //kernel call 
+    size_t num_block = (denseMatrix.n_grids_ + BLOCK_SIZE - 1) / BLOCK_SIZE;
+    auto startTime = std::chrono::high_resolution_clock::now();
+    SolveKernel<<<num_block, BLOCK_SIZE>>>(device, 
+                                          denseMatrix.n_grids_, 
+                                          denseMatrix.b_column_counts_, 
+                                          denseMatrix.x_column_counts_,
+                                          linearSolver.nLij_Lii_size_,
+                                          linearSolver.nUij_Uii_size_);
+    cudaDeviceSynchronize();
+    auto endTime = std::chrono::high_resolution_clock::now();
+    auto kernel_duration = std::chrono::duration_cast<std::chrono::nanoseconds>(endTime - startTime);
+    cudaMemcpy(denseMatrix.x_, d_x, sizeof(double)* denseMatrix.x_size_, cudaMemcpyDeviceToHost);
+
+    //clean up 
+    cudaFree(d_nLij_Lii);
+    cudaFree(d_Lij_yj); 
+    cudaFree(d_nUij_Uii); 
+    cudaFree(d_Uij_xj);
+    cudaFree(d_lower_matrix); 
+    cudaFree(d_upper_matrix);
+    cudaFree(d_b); 
+    cudaFree(d_x);
+    cudaFree(device);
+    return kernel_duration;
+    }
+  }//end cuda 
+}// end micm 
\ No newline at end of file
diff --git a/src/solver/lu_decomposition.cu b/src/solver/lu_decomposition.cu
index 1381e71d7..c1d93f23d 100644
--- a/src/solver/lu_decomposition.cu
+++ b/src/solver/lu_decomposition.cu
@@ -6,193 +6,174 @@
 #include <micm/util/cuda_param.hpp>
 #include <vector>
 
-// grouped parameters passing to DecomposeKernel()
-struct DecomposeDevice
-{
-  double* A_;
-  double* L_;
-  double* U_;
-  char* do_aik_;
-  size_t* aik_;
-  char* do_aki_;
-  size_t* aki_;
-  size_t* uii_;
-  std::pair<size_t, size_t>* niLU_;
-  std::pair<size_t, size_t>* uik_nkj_;
-  std::pair<size_t, size_t>* lij_ujk_;
-  std::pair<size_t, size_t>* lki_nkj_;
-  std::pair<size_t, size_t>* lkj_uji_;
-  size_t n_grids_;
-  size_t niLU_size_;
-};
-namespace micm
-{
-  namespace cuda
-  {
-    __global__ void DecomposeKernel(DecomposeDevice* device)
-    {
-      size_t tid = blockIdx.x * blockDim.x + threadIdx.x;
-      double* A = device->A_;
-      double* L = device->L_;
-      double* U = device->U_;
-      std::pair<size_t, size_t>* lkj_uji = device->lkj_uji_;
-      std::pair<size_t, size_t>* uik_nkj = device->uik_nkj_;
-      std::pair<size_t, size_t>* lij_ujk = device->lij_ujk_;
-      std::pair<size_t, size_t>* lki_nkj = device->lki_nkj_;
-      size_t do_aik_offset = 0;  // boolean vector
-      size_t aik_offset = 0;
-      size_t uik_nkj_offset = 0;
-      size_t lij_ujk_offset = 0;
-      size_t do_aki_offset = 0;  // boolean vector
-      size_t aki_offset = 0;
-      size_t lki_nkj_offset = 0;
-      size_t lkj_uji_offset = 0;
-      size_t uii_offset = 0;
-
-      if (tid < device->n_grids_)
-      {
-        // loop through every element in niLU
-        for (size_t i = 0; i < device->niLU_size_; i++)
+//grouped parameters passing to DecomposeKernel()
+struct DecomposeDevice{
+    double* A_; 
+    double* L_; 
+    double* U_; 
+    char* do_aik_; 
+    size_t* aik_; 
+    char* do_aki_;
+    size_t* aki_;  
+    size_t* uii_; 
+    std::pair<size_t,size_t>* niLU_;
+    std::pair<size_t, size_t>* uik_nkj_; 
+    std::pair<size_t, size_t>* lij_ujk_;
+    std::pair<size_t, size_t>* lki_nkj_; 
+    std::pair<size_t, size_t>* lkj_uji_;
+}; 
+namespace micm{
+    namespace cuda{        
+        __global__ void DecomposeKernel(DecomposeDevice* device, size_t n_grids, size_t niLU_size)
         {
-          // upper triangular matrix
-          auto inLU = device->niLU_[i];
-          for (size_t iU = 0; iU < inLU.second; ++iU)
-          {
-            if (device->do_aik_[do_aik_offset++])
-            {
-              size_t U_idx = uik_nkj[uik_nkj_offset].first + tid;
-              size_t A_idx = device->aik_[aik_offset++] + tid;
-              U[U_idx] = A[A_idx];
-            }
-
-            for (size_t ikj = 0; ikj < uik_nkj[uik_nkj_offset].second; ++ikj)
-            {
-              size_t U_idx_1 = uik_nkj[uik_nkj_offset].first + tid;
-              size_t L_idx = lij_ujk[lij_ujk_offset].first + tid;
-              size_t U_idx_2 = lij_ujk[lij_ujk_offset].second + tid;
-              U[U_idx_1] -= L[L_idx] * U[U_idx_2];
-              ++lij_ujk_offset;
-            }
-            ++uik_nkj_offset;
-          }
-          // lower triangular matrix
-
-          L[lki_nkj[lki_nkj_offset++].first + tid] = 1.0;
-
-          for (size_t iL = 0; iL < inLU.first; ++iL)
-          {
-            if (device->do_aki_[do_aki_offset++])
-            {
-              size_t L_idx = lki_nkj[lki_nkj_offset].first + tid;
-              size_t A_idx = device->aki_[aki_offset++] + tid;
-              L[L_idx] = A[A_idx];
-            }
-            for (size_t ikj = 0; ikj < lki_nkj[lki_nkj_offset].second; ++ikj)
-            {
-              size_t L_idx_1 = lki_nkj[lki_nkj_offset].first + tid;
-              size_t L_idx_2 = lkj_uji[lkj_uji_offset].first + tid;
-              size_t U_idx = lkj_uji[lkj_uji_offset].second + tid;
-              L[L_idx_1] -= L[L_idx_2] * U[U_idx];
-              ++lkj_uji_offset;
+            size_t tid = blockIdx.x * blockDim.x + threadIdx.x;
+            double* A = device->A_; 
+            double* L = device->L_;
+            double* U = device->U_;
+            std::pair<size_t, size_t>* lkj_uji = device->lkj_uji_;
+            std::pair<size_t, size_t>* uik_nkj = device->uik_nkj_;
+            std::pair<size_t, size_t>* lij_ujk = device->lij_ujk_;
+            std::pair<size_t, size_t>* lki_nkj = device->lki_nkj_;
+            size_t do_aik_offset = 0; //boolean vector 
+            size_t aik_offset = 0;
+            size_t uik_nkj_offset = 0; 
+            size_t lij_ujk_offset = 0; 
+            size_t do_aki_offset = 0; //boolean vector 
+            size_t aki_offset = 0; 
+            size_t lki_nkj_offset = 0; 
+            size_t lkj_uji_offset = 0; 
+            size_t uii_offset = 0; 
+            
+            if (tid < n_grids){
+                //loop through every element in niLU 
+                for (size_t i = 0; i < niLU_size; i++){
+                    //upper triangular matrix 
+                    auto inLU = device->niLU_[i]; 
+                    for (size_t iU = 0; iU < inLU.second; ++iU){
+                        if(device->do_aik_[do_aik_offset++]){
+                            size_t U_idx = uik_nkj[uik_nkj_offset].first + tid;
+                            size_t A_idx =  device->aik_[aik_offset++]+ tid; 
+                            U[U_idx] = A[A_idx];
+                        }
+                        
+                        for (size_t ikj = 0; ikj < uik_nkj[uik_nkj_offset].second; ++ikj){
+                            size_t U_idx_1 = uik_nkj[uik_nkj_offset].first + tid; 
+                            size_t L_idx = lij_ujk[lij_ujk_offset].first + tid;
+                            size_t U_idx_2 = lij_ujk[lij_ujk_offset].second + tid;
+                            U[U_idx_1] -= L[L_idx] * U[U_idx_2]; 
+                            ++lij_ujk_offset; 
+                        }
+                        ++uik_nkj_offset; 
+                    }
+                   // lower triangular matrix
+                   
+                    L[lki_nkj[lki_nkj_offset++].first + tid] = 1.0;         
+                    
+                    for (size_t iL = 0; iL <inLU.first; ++iL){
+                        if(device->do_aki_[do_aki_offset++]){
+                            size_t L_idx = lki_nkj[lki_nkj_offset].first + tid; 
+                            size_t A_idx = device->aki_[aki_offset++] + tid; 
+                            L[L_idx] = A[A_idx]; 
+                        }
+                        for(size_t ikj = 0; ikj < lki_nkj[lki_nkj_offset].second;++ikj){
+                            size_t L_idx_1 = lki_nkj[lki_nkj_offset].first + tid;
+                            size_t L_idx_2 = lkj_uji[lkj_uji_offset].first + tid;
+                            size_t U_idx = lkj_uji[lkj_uji_offset].second + tid; 
+                            L[L_idx_1] -= L[L_idx_2] * U[U_idx];
+                            ++lkj_uji_offset; 
+                        }
+                        L[lki_nkj[lki_nkj_offset].first + tid]/=U[device->uii_[uii_offset] + tid]; 
+                        ++lki_nkj_offset; 
+                        ++uii_offset; 
+                     }
+                }
             }
-            L[lki_nkj[lki_nkj_offset].first + tid] /= U[device->uii_[uii_offset] + tid];
-            ++lki_nkj_offset;
-            ++uii_offset;
-          }
-        }
-      }
-    }  // end of kernel
-
-    std::chrono::nanoseconds DecomposeKernelDriver(CudaSparseMatrixParam& sparseMatrix, CudaSolverParam& solver)
-    {
-      // create device pointers and allocate device memory
-      double* d_A;
-      double* d_L;
-      double* d_U;
-      bool* d_do_aik;
-      size_t* d_aik;
-      bool* d_do_aki;
-      size_t* d_aki;
-      size_t* d_uii;
-      std::pair<size_t, size_t>* d_niLU;
-      std::pair<size_t, size_t>* d_uik_nkj;
-      std::pair<size_t, size_t>* d_lij_ujk;
-      std::pair<size_t, size_t>* d_lki_nkj;
-      std::pair<size_t, size_t>* d_lkj_uji;
-      DecomposeDevice* device;
-
-      cudaMalloc(&d_A, sizeof(double) * sparseMatrix.A_size_);
-      cudaMalloc(&d_L, sizeof(double) * sparseMatrix.L_size_);
-      cudaMalloc(&d_U, sizeof(double) * sparseMatrix.U_size_);
-      cudaMalloc(&d_do_aik, sizeof(char) * solver.do_aik_size_);
-      cudaMalloc(&d_aik, sizeof(size_t) * solver.aik_size_);
-      cudaMalloc(&d_do_aki, sizeof(char) * solver.do_aki_size_);
-      cudaMalloc(&d_aki, sizeof(size_t) * solver.aki_size_);
-      cudaMalloc(&d_uii, sizeof(size_t) * solver.uii_size_);
-      cudaMalloc(&d_niLU, sizeof(std::pair<size_t, size_t>) * solver.niLU_size_);
-      cudaMalloc(&d_uik_nkj, sizeof(std::pair<size_t, size_t>) * solver.uik_nkj_size_);
-      cudaMalloc(&d_lij_ujk, sizeof(std::pair<size_t, size_t>) * solver.lij_ujk_size_);
-      cudaMalloc(&d_lki_nkj, sizeof(std::pair<size_t, size_t>) * solver.lki_nkj_size_);
-      cudaMalloc(&d_lkj_uji, sizeof(std::pair<size_t, size_t>) * solver.lkj_uji_size_);
-      cudaMalloc(&device, sizeof(DecomposeDevice));
-
-      // transfer data from host to device
-      cudaMemcpy(d_A, sparseMatrix.A_, sizeof(double) * sparseMatrix.A_size_, cudaMemcpyHostToDevice);
-      cudaMemcpy(d_L, sparseMatrix.L_, sizeof(double) * sparseMatrix.L_size_, cudaMemcpyHostToDevice);
-      cudaMemcpy(d_U, sparseMatrix.U_, sizeof(double) * sparseMatrix.U_size_, cudaMemcpyHostToDevice);
-      cudaMemcpy(d_do_aik, solver.do_aik_, sizeof(char) * solver.do_aik_size_, cudaMemcpyHostToDevice);
-      cudaMemcpy(d_aik, solver.aik_, sizeof(size_t) * solver.aik_size_, cudaMemcpyHostToDevice);
-      cudaMemcpy(d_do_aki, solver.do_aki_, sizeof(char) * solver.do_aki_size_, cudaMemcpyHostToDevice);
-      cudaMemcpy(d_aki, solver.aki_, sizeof(size_t) * solver.aki_size_, cudaMemcpyHostToDevice);
-      cudaMemcpy(d_uii, solver.uii_, sizeof(size_t) * solver.uii_size_, cudaMemcpyHostToDevice);
-      cudaMemcpy(d_niLU, solver.niLU_, sizeof(std::pair<size_t, size_t>) * solver.niLU_size_, cudaMemcpyHostToDevice);
-      cudaMemcpy(
-          d_uik_nkj, solver.uik_nkj_, sizeof(std::pair<size_t, size_t>) * solver.uik_nkj_size_, cudaMemcpyHostToDevice);
-      cudaMemcpy(
-          d_lij_ujk, solver.lij_ujk_, sizeof(std::pair<size_t, size_t>) * solver.lij_ujk_size_, cudaMemcpyHostToDevice);
-      cudaMemcpy(
-          d_lki_nkj, solver.lki_nkj_, sizeof(std::pair<size_t, size_t>) * solver.lki_nkj_size_, cudaMemcpyHostToDevice);
-      cudaMemcpy(
-          d_lkj_uji, solver.lkj_uji_, sizeof(std::pair<size_t, size_t>) * solver.lkj_uji_size_, cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->A_), &d_A, sizeof(double*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->L_), &d_L, sizeof(double*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->U_), &d_U, sizeof(double*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->do_aik_), &d_do_aik, sizeof(char*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->aik_), &d_aik, sizeof(size_t*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->do_aki_), &d_do_aki, sizeof(char*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->aki_), &d_aki, sizeof(size_t*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->uii_), &d_uii, sizeof(size_t*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->niLU_), &d_niLU, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->uik_nkj_), &d_uik_nkj, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->lij_ujk_), &d_lij_ujk, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->lki_nkj_), &d_lki_nkj, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
-      cudaMemcpy(&(device->lkj_uji_), &d_lkj_uji, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
-
-      // total number of threads is number of blocks in sparseMatrix A
-      size_t num_block = (sparseMatrix.n_grids_ + BLOCK_SIZE - 1) / BLOCK_SIZE;
-      device->n_grids_ = sparseMatrix.n_grids_;
-      device->niLU_size_ = solver.niLU_size_;
-
-      // call kernel
-      auto startTime = std::chrono::high_resolution_clock::now();
-      DecomposeKernel<<<num_block, BLOCK_SIZE>>>(device);
-      cudaDeviceSynchronize();
-      auto endTime = std::chrono::high_resolution_clock::now();
-      auto kernel_duration = std::chrono::duration_cast<std::chrono::nanoseconds>(endTime - startTime);
-      cudaMemcpy(sparseMatrix.L_, d_L, sizeof(double) * sparseMatrix.L_size_, cudaMemcpyDeviceToHost);
-      cudaMemcpy(sparseMatrix.U_, d_U, sizeof(double) * sparseMatrix.U_size_, cudaMemcpyDeviceToHost);
-
-      // clean up
-      cudaFree(d_A);
-      cudaFree(d_L);
-      cudaFree(d_U);
-      cudaFree(d_do_aik);
-      cudaFree(d_aik);
-      cudaFree(d_do_aki);
-      cudaFree(d_aki);
-      cudaFree(d_uii);
-      cudaFree(device);
-      return kernel_duration;
-    }  // end kernelDriver
-  }    // namespace cuda
-}  // namespace micm
\ No newline at end of file
+        }// end of kernel
+    
+        std::chrono::nanoseconds DecomposeKernelDriver(
+            CudaSparseMatrixParam& sparseMatrix, 
+            CudaSolverParam& solver){
+            //create device pointers and allocate device memory 
+            double* d_A; 
+            double* d_L; 
+            double* d_U; 
+            bool* d_do_aik; 
+            size_t* d_aik; 
+            bool* d_do_aki;
+            size_t* d_aki;  
+            size_t* d_uii; 
+            std::pair<size_t, size_t>* d_niLU; 
+            std::pair<size_t, size_t>* d_uik_nkj; 
+            std::pair<size_t, size_t>* d_lij_ujk;
+            std::pair<size_t, size_t>* d_lki_nkj; 
+            std::pair<size_t, size_t>* d_lkj_uji;
+            DecomposeDevice* device; 
+        
+            cudaMalloc(&d_A,sizeof(double)* sparseMatrix.A_size_); 
+            cudaMalloc(&d_L,sizeof(double)* sparseMatrix.L_size_); 
+            cudaMalloc(&d_U,sizeof(double)* sparseMatrix.U_size_); 
+            cudaMalloc(&d_do_aik,sizeof(char)* solver.do_aik_size_); 
+            cudaMalloc(&d_aik,sizeof(size_t)* solver.aik_size_); 
+            cudaMalloc(&d_do_aki,sizeof(char)* solver.do_aki_size_); 
+            cudaMalloc(&d_aki,sizeof(size_t)* solver.aki_size_); 
+            cudaMalloc(&d_uii,sizeof(size_t)* solver.uii_size_); 
+            cudaMalloc(&d_niLU,sizeof(std::pair<size_t, size_t>)* solver.niLU_size_); 
+            cudaMalloc(&d_uik_nkj,sizeof(std::pair<size_t, size_t>)* solver.uik_nkj_size_); 
+            cudaMalloc(&d_lij_ujk,sizeof(std::pair<size_t, size_t>)* solver.lij_ujk_size_); 
+            cudaMalloc(&d_lki_nkj,sizeof(std::pair<size_t, size_t>)* solver.lki_nkj_size_); 
+            cudaMalloc(&d_lkj_uji,sizeof(std::pair<size_t, size_t>)* solver.lkj_uji_size_);
+            cudaMalloc(&device, sizeof(DecomposeDevice)); 
+            
+            //transfer data from host to device 
+            cudaMemcpy(d_A, sparseMatrix.A_, sizeof(double)* sparseMatrix.A_size_, cudaMemcpyHostToDevice);             
+            cudaMemcpy(d_L, sparseMatrix.L_, sizeof(double)* sparseMatrix.L_size_, cudaMemcpyHostToDevice); 
+            cudaMemcpy(d_U, sparseMatrix.U_, sizeof(double)* sparseMatrix.U_size_, cudaMemcpyHostToDevice); 
+            cudaMemcpy(d_do_aik, solver.do_aik_, sizeof(char)* solver.do_aik_size_, cudaMemcpyHostToDevice); 
+            cudaMemcpy(d_aik, solver.aik_, sizeof(size_t)* solver.aik_size_, cudaMemcpyHostToDevice); 
+            cudaMemcpy(d_do_aki, solver.do_aki_, sizeof(char)* solver.do_aki_size_, cudaMemcpyHostToDevice); 
+            cudaMemcpy(d_aki, solver.aki_, sizeof(size_t)*solver.aki_size_, cudaMemcpyHostToDevice); 
+            cudaMemcpy(d_uii, solver.uii_, sizeof(size_t)* solver.uii_size_, cudaMemcpyHostToDevice);       
+            cudaMemcpy(d_niLU, solver.niLU_, sizeof(std::pair<size_t, size_t>)*solver.niLU_size_, cudaMemcpyHostToDevice); 
+            cudaMemcpy(d_uik_nkj, solver.uik_nkj_, sizeof(std::pair<size_t, size_t>)*solver.uik_nkj_size_, cudaMemcpyHostToDevice);
+            cudaMemcpy(d_lij_ujk, solver.lij_ujk_, sizeof(std::pair<size_t, size_t>)*solver.lij_ujk_size_, cudaMemcpyHostToDevice);
+            cudaMemcpy(d_lki_nkj, solver.lki_nkj_, sizeof(std::pair<size_t, size_t>)*solver.lki_nkj_size_, cudaMemcpyHostToDevice);
+            cudaMemcpy(d_lkj_uji, solver.lkj_uji_, sizeof(std::pair<size_t, size_t>)*solver.lkj_uji_size_, cudaMemcpyHostToDevice);
+            cudaMemcpy(&(device->A_),&d_A, sizeof(double*), cudaMemcpyHostToDevice);
+            cudaMemcpy(&(device->L_),&d_L, sizeof(double*), cudaMemcpyHostToDevice); 
+            cudaMemcpy(&(device->U_),&d_U, sizeof(double*), cudaMemcpyHostToDevice); 
+            cudaMemcpy(&(device->do_aik_), &d_do_aik, sizeof(char*), cudaMemcpyHostToDevice); 
+            cudaMemcpy(&(device->aik_), &d_aik, sizeof(size_t*), cudaMemcpyHostToDevice); 
+            cudaMemcpy(&(device->do_aki_),&d_do_aki,sizeof(char*),cudaMemcpyHostToDevice); 
+            cudaMemcpy(&(device->aki_),&d_aki, sizeof(size_t*), cudaMemcpyHostToDevice); 
+            cudaMemcpy(&(device->uii_), &d_uii, sizeof(size_t*), cudaMemcpyHostToDevice);
+            cudaMemcpy(&(device->niLU_), &d_niLU, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
+            cudaMemcpy(&(device->uik_nkj_), &d_uik_nkj, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice); 
+            cudaMemcpy(&(device->lij_ujk_), &d_lij_ujk, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice); 
+            cudaMemcpy(&(device->lki_nkj_), &d_lki_nkj, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice); 
+            cudaMemcpy(&(device->lkj_uji_), &d_lkj_uji, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice); 
+        
+            //total number of threads is number of blocks in sparseMatrix A 
+            size_t num_block = (sparseMatrix.n_grids_ + BLOCK_SIZE - 1) / BLOCK_SIZE; 
+          
+           // call kernel
+            auto startTime = std::chrono::high_resolution_clock::now();
+            DecomposeKernel<<<num_block, BLOCK_SIZE>>>(device, sparseMatrix.n_grids_, solver.niLU_size_); 
+            cudaDeviceSynchronize();
+            auto endTime = std::chrono::high_resolution_clock::now();
+            auto kernel_duration = std::chrono::duration_cast<std::chrono::nanoseconds>(endTime - startTime);
+            cudaMemcpy(sparseMatrix.L_, d_L, sizeof(double)* sparseMatrix.L_size_, cudaMemcpyDeviceToHost); 
+            cudaMemcpy(sparseMatrix.U_, d_U, sizeof(double)* sparseMatrix.U_size_, cudaMemcpyDeviceToHost); 
+        //clean up 
+        cudaFree(d_A); 
+        cudaFree(d_L); 
+        cudaFree(d_U); 
+        cudaFree(d_do_aik); 
+        cudaFree(d_aik);
+        cudaFree(d_do_aki); 
+        cudaFree(d_aki); 
+        cudaFree(d_uii); 
+        cudaFree(device); 
+        return kernel_duration; 
+    }//end kernelDriver
+ }//end cuda 
+}//end micm
\ No newline at end of file
diff --git a/test/unit/solver/CMakeLists.txt b/test/unit/solver/CMakeLists.txt
index c45f12645..f2302671e 100644
--- a/test/unit/solver/CMakeLists.txt
+++ b/test/unit/solver/CMakeLists.txt
@@ -15,6 +15,7 @@ create_standard_test(NAME state SOURCES test_state.cpp)
 # GPU tests
 if(ENABLE_CUDA)
   create_standard_test(NAME cuda_lu_decomposition SOURCES test_cuda_lu_decomposition.cpp LIBRARIES musica::micm_cuda)
+  create_standard_test(NAME cuda_linear_solver SOURCES test_cuda_linear_solver.cpp LIBRARIES musica::micm_cuda)
 endif()
 
 if(ENABLE_LLVM)
diff --git a/test/unit/solver/test_cuda_linear_solver.cpp b/test/unit/solver/test_cuda_linear_solver.cpp
new file mode 100644
index 000000000..6a127a628
--- /dev/null
+++ b/test/unit/solver/test_cuda_linear_solver.cpp
@@ -0,0 +1,164 @@
+#pragma once
+#include <gtest/gtest.h>
+#include <functional>
+#include <random>
+#include <micm/util/matrix.hpp>
+#include <micm/util/sparse_matrix.hpp>
+#include <micm/util/sparse_matrix_vector_ordering.hpp>
+#include <micm/util/vector_matrix.hpp>
+#include <micm/solver/linear_solver.hpp>
+#include <micm/solver/lu_decomposition.hpp>
+#include <micm/solver/cuda_linear_solver.hpp>
+#include <micm/solver/cuda_lu_decomposition.hpp>
+#include "test_linear_solver_policy.hpp"
+
+template<class T>
+using Group1VectorMatrix = micm::VectorMatrix<T, 1>;
+template<class T>
+using Group2VectorMatrix = micm::VectorMatrix<T, 2>;
+template<class T>
+using Group3VectorMatrix = micm::VectorMatrix<T, 3>;
+template<class T>
+using Group4VectorMatrix = micm::VectorMatrix<T, 4>;
+template<class T>
+using Group10000VectorMatrix = micm::VectorMatrix<T, 10000>;
+
+
+template<class T>
+using Group1SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<1>>;
+template<class T>
+using Group2SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<2>>;
+template<class T>
+using Group3SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<3>>;
+template<class T>
+using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<4>>;
+template<class T>
+using Group10000SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<10000>>;
+
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+std::vector<double> linearSolverGenerator(
+    const std::function<LinearSolverPolicy(const SparseMatrixPolicy<double>, double)> create_linear_solver,
+    std::size_t number_of_blocks)
+{
+  auto gen_bool = std::bind(std::uniform_int_distribution<>(0, 1), std::default_random_engine());
+  auto get_double = std::bind(std::lognormal_distribution(-2.0, 2.0), std::default_random_engine());
+
+  auto builder = SparseMatrixPolicy<double>::create(10).number_of_blocks(number_of_blocks).initial_value(1.0e-30);
+  for (std::size_t i = 0; i < 10; ++i)
+    for (std::size_t j = 0; j < 10; ++j)
+      if (i == j || gen_bool())
+        builder = builder.with_element(i, j);
+
+  SparseMatrixPolicy<double> A(builder);
+  MatrixPolicy<double> b(number_of_blocks, 10, 0.0);
+  MatrixPolicy<double> x(number_of_blocks, 10, 100.0);
+
+  for (std::size_t i = 0; i < 10; ++i)
+    for (std::size_t j = 0; j < 10; ++j)
+      if (!A.IsZero(i, j))
+        for (std::size_t i_block = 0; i_block < number_of_blocks; ++i_block)
+          A[i_block][i][j] = get_double();
+
+  for (std::size_t i = 0; i < 10; ++i)
+    for (std::size_t i_block = 0; i_block < number_of_blocks; ++i_block)
+      b[i_block][i] = get_double();
+
+  LinearSolverPolicy solver = create_linear_solver(A, 1.0e-30);
+  auto lu = micm::LuDecomposition::GetLUMatrices(A, 1.0e-30);
+  auto lower_matrix = std::move(lu.first);
+  auto upper_matrix = std::move(lu.second);
+  solver.Factor(A, lower_matrix, upper_matrix);
+  solver.template Solve<MatrixPolicy>(b, x, lower_matrix, upper_matrix);
+  return x.AsVector();
+}
+
+//bit to bit variation between CPU and GPU result with randomMatrixVectorOrdering
+void gpuValidation(){
+   std::vector<double> cpu_x = linearSolverGenerator<Group10000VectorMatrix, Group10000SparseVectorMatrix, micm::LinearSolver<double, Group10000SparseVectorMatrix>>(
+      [](const Group10000SparseVectorMatrix<double>& matrix,
+         double initial_value) -> micm::LinearSolver<double, Group10000SparseVectorMatrix> {
+        return micm::LinearSolver<double, Group10000SparseVectorMatrix>{ matrix, initial_value };
+      },
+      10000);
+
+  std::vector<double> gpu_x = linearSolverGenerator<Group10000VectorMatrix, Group10000SparseVectorMatrix, micm::CudaLinearSolver<double, Group10000SparseVectorMatrix>>(
+      [](const Group10000SparseVectorMatrix<double>& matrix,
+         double initial_value) -> micm::CudaLinearSolver<double, Group10000SparseVectorMatrix> {
+        return micm::CudaLinearSolver<double, Group10000SparseVectorMatrix>{ matrix, initial_value };
+      },
+      10000);
+
+  for (int i = 0; i < cpu_x.size(); i++){
+    EXPECT_EQ(cpu_x, gpu_x); 
+  }
+}
+
+
+TEST(CudaLinearSolver, DenseMatrixVectorOrdering)
+{
+  testDenseMatrix<Group1VectorMatrix, Group1SparseVectorMatrix, micm::CudaLinearSolver<double, Group1SparseVectorMatrix, micm::CudaLuDecomposition>>(
+      [](const Group1SparseVectorMatrix<double>& matrix,
+         double initial_value) -> micm::CudaLinearSolver<double, Group1SparseVectorMatrix, micm::CudaLuDecomposition> {
+        return micm::CudaLinearSolver<double, Group1SparseVectorMatrix, micm::CudaLuDecomposition>{matrix, initial_value};
+      });
+}
+
+TEST(CudaLinearSolver, RandomMatrixVectorOrdering)
+{
+  testRandomMatrix<Group1VectorMatrix, Group1SparseVectorMatrix, micm::CudaLinearSolver<double, Group1SparseVectorMatrix>>(
+      [](const Group1SparseVectorMatrix<double>& matrix,
+         double initial_value) -> micm::CudaLinearSolver<double, Group1SparseVectorMatrix> {
+        return micm::CudaLinearSolver<double, Group1SparseVectorMatrix>{ matrix, initial_value };
+      },
+      1);
+  testRandomMatrix<Group2VectorMatrix, Group2SparseVectorMatrix, micm::CudaLinearSolver<double, Group2SparseVectorMatrix>>(
+      [](const Group2SparseVectorMatrix<double>& matrix,
+         double initial_value) -> micm::CudaLinearSolver<double, Group2SparseVectorMatrix> {
+        return micm::CudaLinearSolver<double, Group2SparseVectorMatrix>{ matrix, initial_value };
+      },
+      2);
+  testRandomMatrix<Group3VectorMatrix, Group3SparseVectorMatrix, micm::CudaLinearSolver<double, Group3SparseVectorMatrix>>(
+      [](const Group3SparseVectorMatrix<double>& matrix,
+         double initial_value) -> micm::CudaLinearSolver<double, Group3SparseVectorMatrix> {
+        return micm::CudaLinearSolver<double, Group3SparseVectorMatrix>{ matrix, initial_value };
+      },
+      3);
+  testRandomMatrix<Group4VectorMatrix, Group4SparseVectorMatrix, micm::CudaLinearSolver<double, Group4SparseVectorMatrix>>(
+      [](const Group4SparseVectorMatrix<double>& matrix,
+         double initial_value) -> micm::CudaLinearSolver<double, Group4SparseVectorMatrix> {
+        return micm::CudaLinearSolver<double, Group4SparseVectorMatrix>{ matrix, initial_value };
+      },
+      4);
+  gpuValidation();
+  
+}
+
+TEST(CudaLinearSolver, DiagonalMatrixVectorOrdering)
+{
+  testDiagonalMatrix<Group1VectorMatrix, Group1SparseVectorMatrix, micm::CudaLinearSolver<double, Group1SparseVectorMatrix>>(
+      [](const Group1SparseVectorMatrix<double>& matrix,
+         double initial_value) -> micm::CudaLinearSolver<double, Group1SparseVectorMatrix> {
+        return micm::CudaLinearSolver<double, Group1SparseVectorMatrix>{ matrix, initial_value };
+      },
+      1);
+  testDiagonalMatrix<Group2VectorMatrix, Group2SparseVectorMatrix, micm::CudaLinearSolver<double, Group2SparseVectorMatrix>>(
+      [](const Group2SparseVectorMatrix<double>& matrix,
+         double initial_value) -> micm::CudaLinearSolver<double, Group2SparseVectorMatrix> {
+        return micm::CudaLinearSolver<double, Group2SparseVectorMatrix>{ matrix, initial_value };
+      },
+      2);
+  testDiagonalMatrix<Group3VectorMatrix, Group3SparseVectorMatrix, micm::CudaLinearSolver<double, Group3SparseVectorMatrix>>(
+      [](const Group3SparseVectorMatrix<double>& matrix,
+         double initial_value) -> micm::CudaLinearSolver<double, Group3SparseVectorMatrix> {
+        return micm::CudaLinearSolver<double, Group3SparseVectorMatrix>{ matrix, initial_value };
+      },
+      3);
+  testDiagonalMatrix<Group4VectorMatrix, Group4SparseVectorMatrix, micm::CudaLinearSolver<double, Group4SparseVectorMatrix>>(
+      [](const Group4SparseVectorMatrix<double>& matrix,
+         double initial_value) -> micm::CudaLinearSolver<double, Group4SparseVectorMatrix> {
+        return micm::CudaLinearSolver<double, Group4SparseVectorMatrix>{ matrix, initial_value };
+      },
+      4);
+}
+
+
diff --git a/test/unit/solver/test_cuda_lu_decomposition.cpp b/test/unit/solver/test_cuda_lu_decomposition.cpp
index 06512d939..a18e25336 100644
--- a/test/unit/solver/test_cuda_lu_decomposition.cpp
+++ b/test/unit/solver/test_cuda_lu_decomposition.cpp
@@ -92,7 +92,7 @@ void testRandomMatrix(size_t n_grids)
         for (std::size_t i_block = 0; i_block < n_grids; ++i_block)
           A[i_block][i][j] = get_double();
 
-  micm::LuDecomposition gpu_lud(A);
+  micm::CudaLuDecomposition gpu_lud(A);
   auto gpu_LU = micm::CudaLuDecomposition::GetLUMatrices(A, 1.0e-30);
   gpu_lud.Decompose<double, SparseMatrixPolicy>(A, gpu_LU.first, gpu_LU.second);
   check_results<double, SparseMatrixPolicy>(

From 56222ef889d0677544b1383e961732d739253334 Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Tue, 21 Nov 2023 09:35:38 -0800
Subject: [PATCH 299/318] Auto-format code changes (#371)

Auto-format code using Clang-Format

Co-authored-by: GitHub Actions <actions@github.com>
---
 include/micm/solver/cuda_linear_solver.hpp    |  96 ++---
 include/micm/solver/cuda_lu_decomposition.hpp |  88 ++---
 include/micm/solver/linear_solver.hpp         |   2 +-
 include/micm/util/cuda_param.hpp              | 161 ++++----
 src/solver/linear_solver.cu                   | 296 ++++++++-------
 src/solver/lu_decomposition.cu                | 352 +++++++++---------
 .../analytical_surface_rxn_policy.hpp         |  88 ++---
 test/unit/solver/test_cuda_linear_solver.cpp  |  44 ++-
 8 files changed, 587 insertions(+), 540 deletions(-)

diff --git a/include/micm/solver/cuda_linear_solver.hpp b/include/micm/solver/cuda_linear_solver.hpp
index 6b7190d61..fe80cd954 100644
--- a/include/micm/solver/cuda_linear_solver.hpp
+++ b/include/micm/solver/cuda_linear_solver.hpp
@@ -4,53 +4,61 @@
 #pragma once
 #include <chrono>
 #include <functional>
-#include <micm/solver/linear_solver.hpp> 
-#include <micm/solver/lu_decomposition.hpp>
+#include <micm/solver/cuda_linear_solver.cuh>
 #include <micm/solver/cuda_lu_decomposition.hpp>
+#include <micm/solver/linear_solver.hpp>
+#include <micm/solver/lu_decomposition.hpp>
 #include <micm/util/cuda_param.hpp>
-#include <micm/solver/cuda_linear_solver.cuh>
 
-namespace micm{
-    template<typename T, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy = CudaLuDecomposition>
-    class CudaLinearSolver : public LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy> {
-    public:
-        //constructor
-        CudaLinearSolver(){};
+namespace micm
+{
+  template<typename T, template<class> class SparseMatrixPolicy, class LuDecompositionPolicy = CudaLuDecomposition>
+  class CudaLinearSolver : public LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy>
+  {
+   public:
+    // constructor
+    CudaLinearSolver(){};
+
+    CudaLinearSolver(const SparseMatrixPolicy<T>& matrix, T initial_value)
+        : LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy>(matrix, initial_value){};
+
+    CudaLinearSolver(
+        const SparseMatrixPolicy<T>& matrix,
+        T initial_value,
+        const std::function<LuDecompositionPolicy(const SparseMatrixPolicy<T>&)> create_lu_decomp)
+        : linearSolver(matrix, initial_value, create_lu_decomp);
 
-        CudaLinearSolver(const SparseMatrixPolicy<T>& matrix, T initial_value): LinearSolver<T, SparseMatrixPolicy, LuDecompositionPolicy> (matrix, initial_value){};
-    
-        CudaLinearSolver(const SparseMatrixPolicy<T>& matrix, T initial_value, const std::function<LuDecompositionPolicy(const SparseMatrixPolicy<T>&)> create_lu_decomp)
-        : linearSolver(matrix, initial_value, create_lu_decomp); 
-       
-        template<template<class> class MatrixPolicy > 
-        requires(VectorizableDense<MatrixPolicy<T>> || VectorizableSparse<SparseMatrixPolicy<T>>)
-        std::chrono::nanoseconds Solve(const MatrixPolicy<T>&b, MatrixPolicy<T>& x, SparseMatrixPolicy<T>& lower_matrix,
+    template<template<class> class MatrixPolicy>
+    requires(VectorizableDense<MatrixPolicy<T>> || VectorizableSparse<SparseMatrixPolicy<T>>) std::chrono::nanoseconds Solve(
+        const MatrixPolicy<T>& b,
+        MatrixPolicy<T>& x,
+        SparseMatrixPolicy<T>& lower_matrix,
         SparseMatrixPolicy<T>& upper_matrix)
-        {
-            CudaLinearSolverParam linearSolver;
-            CudaSparseMatrixParam sparseMatrix; 
-            CudaMatrixParam denseMatrix;
-            linearSolver.nLij_Lii_ = this->nLij_Lii_.data(); 
-            linearSolver.nLij_Lii_size_ = this->nLij_Lii_.size(); 
-            linearSolver.Lij_yj_= this->Lij_yj_.data();
-            linearSolver.Lij_yj_size_ = this->Lij_yj_.size();
-            linearSolver.nUij_Uii_ = this->nUij_Uii_.data();
-            linearSolver.nUij_Uii_size_ = this->nUij_Uii_.size();
-            linearSolver.Uij_xj_ = this->Uij_xj_.data(); 
-            linearSolver.Uij_xj_size_ = this->Uij_xj_.size(); 
-            sparseMatrix.lower_matrix_ = lower_matrix.AsVector().data(); 
-            sparseMatrix.lower_matrix_size_ = lower_matrix.AsVector().size();
-            sparseMatrix.upper_matrix_ = upper_matrix.AsVector().data(); 
-            sparseMatrix.upper_matrix_size_ = upper_matrix.AsVector().size(); 
-            denseMatrix.b_ = b.AsVector().data(); 
-            denseMatrix.x_ = x.AsVector().data();
-            denseMatrix.b_size_= b.AsVector().size();
-            denseMatrix.x_size_= x.AsVector().size();
-            denseMatrix.n_grids_ = b.size(); //number of grids
-            denseMatrix.b_column_counts_ = b[0].size(); 
-            denseMatrix.x_column_counts_= x[0].size();
-            //calling kernel driver
-            return micm::cuda::SolveKernelDriver(linearSolver, sparseMatrix, denseMatrix);
-        };
+    {
+      CudaLinearSolverParam linearSolver;
+      CudaSparseMatrixParam sparseMatrix;
+      CudaMatrixParam denseMatrix;
+      linearSolver.nLij_Lii_ = this->nLij_Lii_.data();
+      linearSolver.nLij_Lii_size_ = this->nLij_Lii_.size();
+      linearSolver.Lij_yj_ = this->Lij_yj_.data();
+      linearSolver.Lij_yj_size_ = this->Lij_yj_.size();
+      linearSolver.nUij_Uii_ = this->nUij_Uii_.data();
+      linearSolver.nUij_Uii_size_ = this->nUij_Uii_.size();
+      linearSolver.Uij_xj_ = this->Uij_xj_.data();
+      linearSolver.Uij_xj_size_ = this->Uij_xj_.size();
+      sparseMatrix.lower_matrix_ = lower_matrix.AsVector().data();
+      sparseMatrix.lower_matrix_size_ = lower_matrix.AsVector().size();
+      sparseMatrix.upper_matrix_ = upper_matrix.AsVector().data();
+      sparseMatrix.upper_matrix_size_ = upper_matrix.AsVector().size();
+      denseMatrix.b_ = b.AsVector().data();
+      denseMatrix.x_ = x.AsVector().data();
+      denseMatrix.b_size_ = b.AsVector().size();
+      denseMatrix.x_size_ = x.AsVector().size();
+      denseMatrix.n_grids_ = b.size();  // number of grids
+      denseMatrix.b_column_counts_ = b[0].size();
+      denseMatrix.x_column_counts_ = x[0].size();
+      // calling kernel driver
+      return micm::cuda::SolveKernelDriver(linearSolver, sparseMatrix, denseMatrix);
     };
-}//end micm
+  };
+}  // namespace micm
diff --git a/include/micm/solver/cuda_lu_decomposition.hpp b/include/micm/solver/cuda_lu_decomposition.hpp
index 710b63604..6315b3d44 100644
--- a/include/micm/solver/cuda_lu_decomposition.hpp
+++ b/include/micm/solver/cuda_lu_decomposition.hpp
@@ -9,14 +9,16 @@
 #include <micm/util/cuda_param.hpp>
 #include <stdexcept>
 
-
-namespace micm{
-    class CudaLuDecomposition: public LuDecomposition{
-    public: 
-    CudaLuDecomposition(){}; 
+namespace micm
+{
+  class CudaLuDecomposition : public LuDecomposition
+  {
+   public:
+    CudaLuDecomposition(){};
 
     template<typename T, typename OrderingPolicy>
-    CudaLuDecomposition(const SparseMatrix<T, OrderingPolicy>& matrix): LuDecomposition(matrix){};    
+    CudaLuDecomposition(const SparseMatrix<T, OrderingPolicy>& matrix)
+        : LuDecomposition(matrix){};
 
     template<typename T, template<class> typename SparseMatrixPolicy>
     requires VectorizableSparse<SparseMatrixPolicy<T>> std::chrono::nanoseconds
@@ -24,44 +26,42 @@ namespace micm{
     const;
   };
 
-    template<typename T, template<class> class SparseMatrixPolicy>
-    requires(VectorizableSparse<SparseMatrixPolicy<T>>) 
-    std::chrono::nanoseconds CudaLuDecomposition::Decompose(
-        const SparseMatrixPolicy<T>& A, 
-        SparseMatrixPolicy<T>& L, 
-        SparseMatrixPolicy<T>& U) const
-    {
-        CudaSparseMatrixParam sparseMatrix; 
-        sparseMatrix.A_ = A.AsVector().data(); 
-        sparseMatrix.A_size_ = A.AsVector().size(); 
-        sparseMatrix.L_ = L.AsVector().data(); 
-        sparseMatrix.L_size_ = L.AsVector().size(); 
-        sparseMatrix.U_ = U.AsVector().data(); 
-        sparseMatrix.U_size_ = U.AsVector().size(); 
-        sparseMatrix.n_grids_ = A.size();
-        
-        CudaSolverParam solver;    
-        solver.do_aik_ = this->do_aik_.data(); 
-        solver.do_aik_size_ = this->do_aik_.size(); 
-        solver.aik_ = this->aik_.data(); 
-        solver.aik_size_ = this->aik_.size(); 
-        solver.do_aki_ = this->do_aki_.data(); 
-        solver.do_aki_size_ = this->do_aki_.size(); 
-        solver.aki_ = this->aki_.data(); 
-        solver.aki_size_ = this->aki_.size(); 
-        solver.uii_ = this->uii_.data(); 
-        solver.uii_size_ = this->uii_.size(); 
-        
-        solver.niLU_ = this->niLU_.data(); 
-        solver.niLU_size_ = this->niLU_.size(); 
-        solver.uik_nkj_ = this->uik_nkj_.data(); 
-        solver.uik_nkj_size_ = this->uik_nkj_.size(); 
-        solver.lij_ujk_ = this->lij_ujk_.data(); 
-        solver.lij_ujk_size_ = this->lij_ujk_.size(); 
-        solver.lki_nkj_ = this->lki_nkj_.data(); 
-        solver.lki_nkj_size_ = this->lki_nkj_.size(); 
-        solver.lkj_uji_ =  this->lkj_uji_.data(); 
-        solver.lkj_uji_size_ = this->lkj_uji_.size(); 
+  template<typename T, template<class> class SparseMatrixPolicy>
+  requires(VectorizableSparse<SparseMatrixPolicy<T>>) std::chrono::nanoseconds
+      CudaLuDecomposition::Decompose(const SparseMatrixPolicy<T>& A, SparseMatrixPolicy<T>& L, SparseMatrixPolicy<T>& U)
+  const
+  {
+    CudaSparseMatrixParam sparseMatrix;
+    sparseMatrix.A_ = A.AsVector().data();
+    sparseMatrix.A_size_ = A.AsVector().size();
+    sparseMatrix.L_ = L.AsVector().data();
+    sparseMatrix.L_size_ = L.AsVector().size();
+    sparseMatrix.U_ = U.AsVector().data();
+    sparseMatrix.U_size_ = U.AsVector().size();
+    sparseMatrix.n_grids_ = A.size();
+
+    CudaSolverParam solver;
+    solver.do_aik_ = this->do_aik_.data();
+    solver.do_aik_size_ = this->do_aik_.size();
+    solver.aik_ = this->aik_.data();
+    solver.aik_size_ = this->aik_.size();
+    solver.do_aki_ = this->do_aki_.data();
+    solver.do_aki_size_ = this->do_aki_.size();
+    solver.aki_ = this->aki_.data();
+    solver.aki_size_ = this->aki_.size();
+    solver.uii_ = this->uii_.data();
+    solver.uii_size_ = this->uii_.size();
+
+    solver.niLU_ = this->niLU_.data();
+    solver.niLU_size_ = this->niLU_.size();
+    solver.uik_nkj_ = this->uik_nkj_.data();
+    solver.uik_nkj_size_ = this->uik_nkj_.size();
+    solver.lij_ujk_ = this->lij_ujk_.data();
+    solver.lij_ujk_size_ = this->lij_ujk_.size();
+    solver.lki_nkj_ = this->lki_nkj_.data();
+    solver.lki_nkj_size_ = this->lki_nkj_.size();
+    solver.lkj_uji_ = this->lkj_uji_.data();
+    solver.lkj_uji_size_ = this->lkj_uji_.size();
 
     // calling kernelSetup function
     return micm::cuda::DecomposeKernelDriver(sparseMatrix, solver);
diff --git a/include/micm/solver/linear_solver.hpp b/include/micm/solver/linear_solver.hpp
index 150cf0276..9af334502 100644
--- a/include/micm/solver/linear_solver.hpp
+++ b/include/micm/solver/linear_solver.hpp
@@ -50,7 +50,7 @@ namespace micm
 
     LuDecompositionPolicy lu_decomp_;
 
-    public:
+   public:
     /// @brief default constructor
     LinearSolver(){};
 
diff --git a/include/micm/util/cuda_param.hpp b/include/micm/util/cuda_param.hpp
index 411920294..2f680e915 100644
--- a/include/micm/util/cuda_param.hpp
+++ b/include/micm/util/cuda_param.hpp
@@ -3,86 +3,91 @@
 // SPDX-License-Identifier: Apache-2.0
 
 #pragma once
-#include<vector>
+#include <vector>
 
-  const size_t BLOCK_SIZE = 320;
-  //member data of class CudaProcessSet grouped in struct passing to kernel driver function 
-  struct CudaProcessSetParam{
-    const size_t* number_of_reactants_; 
-    const size_t* reactant_ids_; 
-    size_t reactant_ids_size_; 
-    const size_t* number_of_products_; 
-    const size_t* product_ids_; 
-    size_t product_ids_size_; 
-    const double* yields_; 
-    size_t yields_size_; 
-    const size_t* jacobian_flat_ids_; 
-    size_t jacobian_flat_ids_size_; 
-}; 
+const size_t BLOCK_SIZE = 320;
+// member data of class CudaProcessSet grouped in struct passing to kernel driver function
+struct CudaProcessSetParam
+{
+  const size_t* number_of_reactants_;
+  const size_t* reactant_ids_;
+  size_t reactant_ids_size_;
+  const size_t* number_of_products_;
+  const size_t* product_ids_;
+  size_t product_ids_size_;
+  const double* yields_;
+  size_t yields_size_;
+  const size_t* jacobian_flat_ids_;
+  size_t jacobian_flat_ids_size_;
+};
 
-  struct CudaSolverParam{
-    const std::pair<size_t, size_t>* niLU_; 
-    size_t niLU_size_;
-    const char* do_aik_;
-    size_t do_aik_size_; 
-    const size_t* aik_;
-    size_t aik_size_;  
-    const std::pair<size_t, size_t>* uik_nkj_; 
-    size_t uik_nkj_size_; 
-    const std::pair<size_t, size_t>* lij_ujk_; 
-    size_t lij_ujk_size_; 
-    const char* do_aki_;
-    size_t do_aki_size_; 
-    const size_t* aki_; 
-    size_t aki_size_;
-    const std::pair<size_t, size_t>* lki_nkj_;
-    size_t lki_nkj_size_; 
-    const std::pair<size_t, size_t>* lkj_uji_;  
-    size_t lkj_uji_size_;  
-    const size_t* uii_; 
-    size_t uii_size_; 
-  };
-  
-  struct CudaLinearSolverParam{
-    const std::pair<size_t, size_t>* nLij_Lii_; 
-    size_t nLij_Lii_size_;
-    const std::pair<size_t, size_t>* Lij_yj_; 
-    size_t Lij_yj_size_;
-    const std::pair<size_t, size_t>* nUij_Uii_;
-    size_t nUij_Uii_size_;
-    const std::pair< size_t, size_t>* Uij_xj_;
-    size_t Uij_xj_size_;
-  };
+struct CudaSolverParam
+{
+  const std::pair<size_t, size_t>* niLU_;
+  size_t niLU_size_;
+  const char* do_aik_;
+  size_t do_aik_size_;
+  const size_t* aik_;
+  size_t aik_size_;
+  const std::pair<size_t, size_t>* uik_nkj_;
+  size_t uik_nkj_size_;
+  const std::pair<size_t, size_t>* lij_ujk_;
+  size_t lij_ujk_size_;
+  const char* do_aki_;
+  size_t do_aki_size_;
+  const size_t* aki_;
+  size_t aki_size_;
+  const std::pair<size_t, size_t>* lki_nkj_;
+  size_t lki_nkj_size_;
+  const std::pair<size_t, size_t>* lkj_uji_;
+  size_t lkj_uji_size_;
+  const size_t* uii_;
+  size_t uii_size_;
+};
 
- //different matrix data grouped in struct passing to kernel driver function 
-    struct CudaMatrixParam{
-     const double* rate_constants_; 
-     const double* state_variables_; 
-     double* forcing_; 
-     const double* b_; 
-     double* x_;
-     size_t x_size_;
-     size_t b_size_;
-     size_t n_grids_; 
-     size_t n_reactions_; 
-     size_t n_species_; 
-     size_t b_column_counts_; 
-     size_t x_column_counts_;
-}; 
+struct CudaLinearSolverParam
+{
+  const std::pair<size_t, size_t>* nLij_Lii_;
+  size_t nLij_Lii_size_;
+  const std::pair<size_t, size_t>* Lij_yj_;
+  size_t Lij_yj_size_;
+  const std::pair<size_t, size_t>* nUij_Uii_;
+  size_t nUij_Uii_size_;
+  const std::pair<size_t, size_t>* Uij_xj_;
+  size_t Uij_xj_size_;
+};
+
+// different matrix data grouped in struct passing to kernel driver function
+struct CudaMatrixParam
+{
+  const double* rate_constants_;
+  const double* state_variables_;
+  double* forcing_;
+  const double* b_;
+  double* x_;
+  size_t x_size_;
+  size_t b_size_;
+  size_t n_grids_;
+  size_t n_reactions_;
+  size_t n_species_;
+  size_t b_column_counts_;
+  size_t x_column_counts_;
+};
 
-//sparseMatrix data grouped in struct passing to kernel driver function 
-struct CudaSparseMatrixParam{
-   double* jacobian_; 
-   size_t jacobian_size_; 
-   const double* A_; 
-   size_t A_size_; 
-   double* L_; 
-   size_t L_size_; 
-   double* U_;
-   size_t U_size_; 
-   size_t n_grids_;
-   const double* lower_matrix_; 
-   size_t lower_matrix_size_; 
-   const double* upper_matrix_; 
-   size_t upper_matrix_size_; 
+// sparseMatrix data grouped in struct passing to kernel driver function
+struct CudaSparseMatrixParam
+{
+  double* jacobian_;
+  size_t jacobian_size_;
+  const double* A_;
+  size_t A_size_;
+  double* L_;
+  size_t L_size_;
+  double* U_;
+  size_t U_size_;
+  size_t n_grids_;
+  const double* lower_matrix_;
+  size_t lower_matrix_size_;
+  const double* upper_matrix_;
+  size_t upper_matrix_size_;
 };
diff --git a/src/solver/linear_solver.cu b/src/solver/linear_solver.cu
index ae8d6f32e..947572d27 100644
--- a/src/solver/linear_solver.cu
+++ b/src/solver/linear_solver.cu
@@ -2,156 +2,186 @@
 //
 // SPDX-License-Identifier: Apache-2.0
 
-#include <iostream> 
-#include <vector>
 #include <chrono>
-#include <micm/util/cuda_param.hpp> 
-struct SolveDevice{
-    std::pair<size_t, size_t>* nLij_Lii_;
-    std::pair<size_t, size_t>* Lij_yj_; 
-    std::pair<size_t, size_t>* nUij_Uii_;
-    std::pair<size_t, size_t>* Uij_xj_;
-    double* lower_matrix_;
-    double* upper_matrix_; 
-    double* b_; 
-    double* x_;
+#include <iostream>
+#include <micm/util/cuda_param.hpp>
+#include <vector>
+struct SolveDevice
+{
+  std::pair<size_t, size_t>* nLij_Lii_;
+  std::pair<size_t, size_t>* Lij_yj_;
+  std::pair<size_t, size_t>* nUij_Uii_;
+  std::pair<size_t, size_t>* Uij_xj_;
+  double* lower_matrix_;
+  double* upper_matrix_;
+  double* b_;
+  double* x_;
 };
-namespace micm{
-    namespace cuda{
-__global__ void SolveKernel(SolveDevice* device, 
-                            size_t n_grids,
-                            size_t b_column_counts,
-                            size_t x_column_counts,
-                            size_t nLij_Lii_size,
-                            size_t nUij_Uii_size)
+namespace micm
 {
-    size_t tid = blockIdx.x * blockDim.x + threadIdx.x;
+  namespace cuda
+  {
+    __global__ void SolveKernel(
+        SolveDevice* device,
+        size_t n_grids,
+        size_t b_column_counts,
+        size_t x_column_counts,
+        size_t nLij_Lii_size,
+        size_t nUij_Uii_size)
+    {
+      size_t tid = blockIdx.x * blockDim.x + threadIdx.x;
 
-    double* b = device->b_;
-    double* x = device->x_;
-    double* y = device->x_; //Alias x for consistency with equation, but to reuse memory
-    double* lower_matrix = device->lower_matrix_;
-    double* upper_matrix = device->upper_matrix_;
-    std::pair<size_t, size_t>* nLij_Lii = device->nLij_Lii_;
-    std::pair<size_t, size_t>* Lij_yj = device->Lij_yj_;
-    std::pair<size_t, size_t>* nUij_Uii = device->nUij_Uii_;
-    std::pair<size_t, size_t>* Uij_xj = device->Uij_xj_;
+      double* b = device->b_;
+      double* x = device->x_;
+      double* y = device->x_;  // Alias x for consistency with equation, but to reuse memory
+      double* lower_matrix = device->lower_matrix_;
+      double* upper_matrix = device->upper_matrix_;
+      std::pair<size_t, size_t>* nLij_Lii = device->nLij_Lii_;
+      std::pair<size_t, size_t>* Lij_yj = device->Lij_yj_;
+      std::pair<size_t, size_t>* nUij_Uii = device->nUij_Uii_;
+      std::pair<size_t, size_t>* Uij_xj = device->Uij_xj_;
 
-   if (tid < n_grids)
-   { 
+      if (tid < n_grids)
+      {
         size_t b_column_index = 0;
         size_t x_column_index = 0;
         size_t y_column_index = 0;
-        size_t b_column_backward_index = b_column_counts -1;
-        size_t x_column_backward_index = x_column_counts -1;
-        size_t Lij_yj_index = 0; 
+        size_t b_column_backward_index = b_column_counts - 1;
+        size_t x_column_backward_index = x_column_counts - 1;
+        size_t Lij_yj_index = 0;
         size_t Uij_xj_index = 0;
-       
+
         for (size_t j = 0; j < nLij_Lii_size; ++j)
         {
-            auto& nLij_Lii_element = nLij_Lii[j]; 
-            y[y_column_index * n_grids + tid] = b[b_column_index++ * n_grids + tid]; 
-            for (size_t i = 0; i < nLij_Lii_element.first; ++i)
-            {
-                size_t lower_matrix_index = Lij_yj[Lij_yj_index].first + tid;
-                size_t y_index = Lij_yj[Lij_yj_index].second * n_grids + tid; 
-                y[y_column_index * n_grids + tid] -= lower_matrix[lower_matrix_index] * y[y_index];
-                ++Lij_yj_index;  
-            }
-            y[y_column_index++ * n_grids + tid] /= lower_matrix[nLij_Lii_element.second + tid]; 
+          auto& nLij_Lii_element = nLij_Lii[j];
+          y[y_column_index * n_grids + tid] = b[b_column_index++ * n_grids + tid];
+          for (size_t i = 0; i < nLij_Lii_element.first; ++i)
+          {
+            size_t lower_matrix_index = Lij_yj[Lij_yj_index].first + tid;
+            size_t y_index = Lij_yj[Lij_yj_index].second * n_grids + tid;
+            y[y_column_index * n_grids + tid] -= lower_matrix[lower_matrix_index] * y[y_index];
+            ++Lij_yj_index;
+          }
+          y[y_column_index++ * n_grids + tid] /= lower_matrix[nLij_Lii_element.second + tid];
         }
-        
+
         for (size_t k = 0; k < nUij_Uii_size; ++k)
-        {   
-            auto& nUij_Uii_element = nUij_Uii[k]; 
-        
-            for (size_t i = 0; i < nUij_Uii_element.first; ++i)
-            {
-                size_t upper_matrix_index = Uij_xj[Uij_xj_index].first + tid;
-                size_t x_index = Uij_xj[Uij_xj_index].second * n_grids + tid;
-                x[x_column_backward_index * n_grids + tid] -= upper_matrix[upper_matrix_index] * x[x_index];
-                ++Uij_xj_index;
-            }
-            x[x_column_backward_index * n_grids + tid] /= upper_matrix[nUij_Uii_element.second + tid];
-            
-            if (x_column_backward_index != 0)
-            {
-                --x_column_backward_index;
-            }
+        {
+          auto& nUij_Uii_element = nUij_Uii[k];
+
+          for (size_t i = 0; i < nUij_Uii_element.first; ++i)
+          {
+            size_t upper_matrix_index = Uij_xj[Uij_xj_index].first + tid;
+            size_t x_index = Uij_xj[Uij_xj_index].second * n_grids + tid;
+            x[x_column_backward_index * n_grids + tid] -= upper_matrix[upper_matrix_index] * x[x_index];
+            ++Uij_xj_index;
+          }
+          x[x_column_backward_index * n_grids + tid] /= upper_matrix[nUij_Uii_element.second + tid];
+
+          if (x_column_backward_index != 0)
+          {
+            --x_column_backward_index;
+          }
         }
+      }
     }
-}
-    std::chrono::nanoseconds SolveKernelDriver(CudaLinearSolverParam& linearSolver,CudaSparseMatrixParam& sparseMatrix, CudaMatrixParam& denseMatrix)
+    std::chrono::nanoseconds
+    SolveKernelDriver(CudaLinearSolverParam& linearSolver, CudaSparseMatrixParam& sparseMatrix, CudaMatrixParam& denseMatrix)
     {
-    //create device pointer
-    std::pair<size_t, size_t>* d_nLij_Lii; 
-    std::pair<size_t, size_t>* d_Lij_yj; 
-    std::pair<size_t, size_t>* d_nUij_Uii; 
-    std::pair<size_t, size_t>* d_Uij_xj;
-    double* d_lower_matrix; 
-    double* d_upper_matrix;
-    double* d_b; 
-    double* d_x;
-    SolveDevice* device;
+      // create device pointer
+      std::pair<size_t, size_t>* d_nLij_Lii;
+      std::pair<size_t, size_t>* d_Lij_yj;
+      std::pair<size_t, size_t>* d_nUij_Uii;
+      std::pair<size_t, size_t>* d_Uij_xj;
+      double* d_lower_matrix;
+      double* d_upper_matrix;
+      double* d_b;
+      double* d_x;
+      SolveDevice* device;
+
+      // allocate device memory
+      cudaMalloc(&d_nLij_Lii, sizeof(std::pair<size_t, size_t>) * linearSolver.nLij_Lii_size_);
+      cudaMalloc(&d_Lij_yj, sizeof(std::pair<size_t, size_t>) * linearSolver.Lij_yj_size_);
+      cudaMalloc(&d_nUij_Uii, sizeof(std::pair<size_t, size_t>) * linearSolver.nUij_Uii_size_);
+      cudaMalloc(&d_Uij_xj, sizeof(std::pair<size_t, size_t>) * linearSolver.Uij_xj_size_);
+
+      cudaMalloc(&d_lower_matrix, sizeof(double) * sparseMatrix.lower_matrix_size_);
+      cudaMalloc(&d_upper_matrix, sizeof(double) * sparseMatrix.upper_matrix_size_);
+      cudaMalloc(&d_b, sizeof(double) * denseMatrix.b_size_);
+      cudaMalloc(&d_x, sizeof(double) * denseMatrix.x_size_);
+      cudaMalloc(&device, sizeof(SolveDevice));
+
+      // transfer memory from host to device
+      cudaMemcpy(
+          d_nLij_Lii,
+          linearSolver.nLij_Lii_,
+          sizeof(std::pair<size_t, size_t>) * linearSolver.nLij_Lii_size_,
+          cudaMemcpyHostToDevice);
+      cudaMemcpy(
+          d_Lij_yj,
+          linearSolver.Lij_yj_,
+          sizeof(std::pair<size_t, size_t>) * linearSolver.Lij_yj_size_,
+          cudaMemcpyHostToDevice);
+      cudaMemcpy(
+          d_nUij_Uii,
+          linearSolver.nUij_Uii_,
+          sizeof(std::pair<size_t, size_t>) * linearSolver.nUij_Uii_size_,
+          cudaMemcpyHostToDevice);
+      cudaMemcpy(
+          d_Uij_xj,
+          linearSolver.Uij_xj_,
+          sizeof(std::pair<size_t, size_t>) * linearSolver.Uij_xj_size_,
+          cudaMemcpyHostToDevice);
+
+      cudaMemcpy(
+          d_lower_matrix,
+          sparseMatrix.lower_matrix_,
+          sizeof(double) * sparseMatrix.lower_matrix_size_,
+          cudaMemcpyHostToDevice);
+      cudaMemcpy(
+          d_upper_matrix,
+          sparseMatrix.upper_matrix_,
+          sizeof(double) * sparseMatrix.upper_matrix_size_,
+          cudaMemcpyHostToDevice);
+      cudaMemcpy(d_b, denseMatrix.b_, sizeof(double) * denseMatrix.b_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(d_x, denseMatrix.x_, sizeof(double) * denseMatrix.x_size_, cudaMemcpyHostToDevice);
+
+      cudaMemcpy(&(device->nLij_Lii_), &d_nLij_Lii, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->Lij_yj_), &d_Lij_yj, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->nUij_Uii_), &d_nUij_Uii, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->Uij_xj_), &d_Uij_xj, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
 
-    //allocate device memory 
-    cudaMalloc(&d_nLij_Lii, sizeof(std::pair<size_t, size_t>)* linearSolver.nLij_Lii_size_); 
-    cudaMalloc(&d_Lij_yj, sizeof(std::pair<size_t, size_t>)* linearSolver.Lij_yj_size_); 
-    cudaMalloc(&d_nUij_Uii, sizeof(std::pair<size_t, size_t>)* linearSolver.nUij_Uii_size_);
-    cudaMalloc(&d_Uij_xj, sizeof(std::pair<size_t, size_t>)* linearSolver.Uij_xj_size_); 
-    
-    cudaMalloc(&d_lower_matrix, sizeof(double)* sparseMatrix.lower_matrix_size_); 
-    cudaMalloc(&d_upper_matrix, sizeof(double)* sparseMatrix.upper_matrix_size_);
-    cudaMalloc(&d_b, sizeof(double)* denseMatrix.b_size_);
-    cudaMalloc(&d_x, sizeof(double)* denseMatrix.x_size_); 
-    cudaMalloc(&device, sizeof(SolveDevice));
+      cudaMemcpy(&(device->lower_matrix_), &d_lower_matrix, sizeof(double*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->upper_matrix_), &d_upper_matrix, sizeof(double*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->b_), &d_b, sizeof(double*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->x_), &d_x, sizeof(double*), cudaMemcpyHostToDevice);
 
-    //transfer memory from host to device
-    cudaMemcpy(d_nLij_Lii, linearSolver.nLij_Lii_, sizeof(std::pair<size_t, size_t>)* linearSolver.nLij_Lii_size_,cudaMemcpyHostToDevice);
-    cudaMemcpy(d_Lij_yj, linearSolver.Lij_yj_, sizeof(std::pair<size_t, size_t>)* linearSolver.Lij_yj_size_,cudaMemcpyHostToDevice);
-    cudaMemcpy(d_nUij_Uii, linearSolver.nUij_Uii_, sizeof(std::pair<size_t, size_t>)* linearSolver.nUij_Uii_size_,cudaMemcpyHostToDevice);
-    cudaMemcpy(d_Uij_xj, linearSolver.Uij_xj_, sizeof(std::pair<size_t, size_t>)* linearSolver.Uij_xj_size_, cudaMemcpyHostToDevice);
-    
-    cudaMemcpy(d_lower_matrix, sparseMatrix.lower_matrix_, sizeof(double)*sparseMatrix.lower_matrix_size_, cudaMemcpyHostToDevice);
-    cudaMemcpy(d_upper_matrix, sparseMatrix.upper_matrix_, sizeof(double)*sparseMatrix.upper_matrix_size_, cudaMemcpyHostToDevice);
-    cudaMemcpy(d_b, denseMatrix.b_, sizeof(double)* denseMatrix.b_size_, cudaMemcpyHostToDevice);
-    cudaMemcpy(d_x, denseMatrix.x_, sizeof(double)* denseMatrix.x_size_, cudaMemcpyHostToDevice);
-    
-    cudaMemcpy(&(device->nLij_Lii_), &d_nLij_Lii, sizeof(std::pair<size_t, size_t>*),cudaMemcpyHostToDevice);
-    cudaMemcpy(&(device->Lij_yj_), &d_Lij_yj, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
-    cudaMemcpy(&(device->nUij_Uii_), &d_nUij_Uii, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
-    cudaMemcpy(&(device->Uij_xj_), &d_Uij_xj, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
-    
-    cudaMemcpy(&(device->lower_matrix_), &d_lower_matrix, sizeof(double*), cudaMemcpyHostToDevice);
-    cudaMemcpy(&(device->upper_matrix_), &d_upper_matrix, sizeof(double*), cudaMemcpyHostToDevice);
-    cudaMemcpy(&(device->b_), &d_b, sizeof(double*), cudaMemcpyHostToDevice); 
-    cudaMemcpy(&(device->x_),&d_x, sizeof(double*), cudaMemcpyHostToDevice);
-    
-    //kernel call 
-    size_t num_block = (denseMatrix.n_grids_ + BLOCK_SIZE - 1) / BLOCK_SIZE;
-    auto startTime = std::chrono::high_resolution_clock::now();
-    SolveKernel<<<num_block, BLOCK_SIZE>>>(device, 
-                                          denseMatrix.n_grids_, 
-                                          denseMatrix.b_column_counts_, 
-                                          denseMatrix.x_column_counts_,
-                                          linearSolver.nLij_Lii_size_,
-                                          linearSolver.nUij_Uii_size_);
-    cudaDeviceSynchronize();
-    auto endTime = std::chrono::high_resolution_clock::now();
-    auto kernel_duration = std::chrono::duration_cast<std::chrono::nanoseconds>(endTime - startTime);
-    cudaMemcpy(denseMatrix.x_, d_x, sizeof(double)* denseMatrix.x_size_, cudaMemcpyDeviceToHost);
+      // kernel call
+      size_t num_block = (denseMatrix.n_grids_ + BLOCK_SIZE - 1) / BLOCK_SIZE;
+      auto startTime = std::chrono::high_resolution_clock::now();
+      SolveKernel<<<num_block, BLOCK_SIZE>>>(
+          device,
+          denseMatrix.n_grids_,
+          denseMatrix.b_column_counts_,
+          denseMatrix.x_column_counts_,
+          linearSolver.nLij_Lii_size_,
+          linearSolver.nUij_Uii_size_);
+      cudaDeviceSynchronize();
+      auto endTime = std::chrono::high_resolution_clock::now();
+      auto kernel_duration = std::chrono::duration_cast<std::chrono::nanoseconds>(endTime - startTime);
+      cudaMemcpy(denseMatrix.x_, d_x, sizeof(double) * denseMatrix.x_size_, cudaMemcpyDeviceToHost);
 
-    //clean up 
-    cudaFree(d_nLij_Lii);
-    cudaFree(d_Lij_yj); 
-    cudaFree(d_nUij_Uii); 
-    cudaFree(d_Uij_xj);
-    cudaFree(d_lower_matrix); 
-    cudaFree(d_upper_matrix);
-    cudaFree(d_b); 
-    cudaFree(d_x);
-    cudaFree(device);
-    return kernel_duration;
+      // clean up
+      cudaFree(d_nLij_Lii);
+      cudaFree(d_Lij_yj);
+      cudaFree(d_nUij_Uii);
+      cudaFree(d_Uij_xj);
+      cudaFree(d_lower_matrix);
+      cudaFree(d_upper_matrix);
+      cudaFree(d_b);
+      cudaFree(d_x);
+      cudaFree(device);
+      return kernel_duration;
     }
-  }//end cuda 
-}// end micm 
\ No newline at end of file
+  }  // namespace cuda
+}  // namespace micm
\ No newline at end of file
diff --git a/src/solver/lu_decomposition.cu b/src/solver/lu_decomposition.cu
index c1d93f23d..6c1826e88 100644
--- a/src/solver/lu_decomposition.cu
+++ b/src/solver/lu_decomposition.cu
@@ -6,174 +6,188 @@
 #include <micm/util/cuda_param.hpp>
 #include <vector>
 
-//grouped parameters passing to DecomposeKernel()
-struct DecomposeDevice{
-    double* A_; 
-    double* L_; 
-    double* U_; 
-    char* do_aik_; 
-    size_t* aik_; 
-    char* do_aki_;
-    size_t* aki_;  
-    size_t* uii_; 
-    std::pair<size_t,size_t>* niLU_;
-    std::pair<size_t, size_t>* uik_nkj_; 
-    std::pair<size_t, size_t>* lij_ujk_;
-    std::pair<size_t, size_t>* lki_nkj_; 
-    std::pair<size_t, size_t>* lkj_uji_;
-}; 
-namespace micm{
-    namespace cuda{        
-        __global__ void DecomposeKernel(DecomposeDevice* device, size_t n_grids, size_t niLU_size)
+// grouped parameters passing to DecomposeKernel()
+struct DecomposeDevice
+{
+  double* A_;
+  double* L_;
+  double* U_;
+  char* do_aik_;
+  size_t* aik_;
+  char* do_aki_;
+  size_t* aki_;
+  size_t* uii_;
+  std::pair<size_t, size_t>* niLU_;
+  std::pair<size_t, size_t>* uik_nkj_;
+  std::pair<size_t, size_t>* lij_ujk_;
+  std::pair<size_t, size_t>* lki_nkj_;
+  std::pair<size_t, size_t>* lkj_uji_;
+};
+namespace micm
+{
+  namespace cuda
+  {
+    __global__ void DecomposeKernel(DecomposeDevice* device, size_t n_grids, size_t niLU_size)
+    {
+      size_t tid = blockIdx.x * blockDim.x + threadIdx.x;
+      double* A = device->A_;
+      double* L = device->L_;
+      double* U = device->U_;
+      std::pair<size_t, size_t>* lkj_uji = device->lkj_uji_;
+      std::pair<size_t, size_t>* uik_nkj = device->uik_nkj_;
+      std::pair<size_t, size_t>* lij_ujk = device->lij_ujk_;
+      std::pair<size_t, size_t>* lki_nkj = device->lki_nkj_;
+      size_t do_aik_offset = 0;  // boolean vector
+      size_t aik_offset = 0;
+      size_t uik_nkj_offset = 0;
+      size_t lij_ujk_offset = 0;
+      size_t do_aki_offset = 0;  // boolean vector
+      size_t aki_offset = 0;
+      size_t lki_nkj_offset = 0;
+      size_t lkj_uji_offset = 0;
+      size_t uii_offset = 0;
+
+      if (tid < n_grids)
+      {
+        // loop through every element in niLU
+        for (size_t i = 0; i < niLU_size; i++)
         {
-            size_t tid = blockIdx.x * blockDim.x + threadIdx.x;
-            double* A = device->A_; 
-            double* L = device->L_;
-            double* U = device->U_;
-            std::pair<size_t, size_t>* lkj_uji = device->lkj_uji_;
-            std::pair<size_t, size_t>* uik_nkj = device->uik_nkj_;
-            std::pair<size_t, size_t>* lij_ujk = device->lij_ujk_;
-            std::pair<size_t, size_t>* lki_nkj = device->lki_nkj_;
-            size_t do_aik_offset = 0; //boolean vector 
-            size_t aik_offset = 0;
-            size_t uik_nkj_offset = 0; 
-            size_t lij_ujk_offset = 0; 
-            size_t do_aki_offset = 0; //boolean vector 
-            size_t aki_offset = 0; 
-            size_t lki_nkj_offset = 0; 
-            size_t lkj_uji_offset = 0; 
-            size_t uii_offset = 0; 
-            
-            if (tid < n_grids){
-                //loop through every element in niLU 
-                for (size_t i = 0; i < niLU_size; i++){
-                    //upper triangular matrix 
-                    auto inLU = device->niLU_[i]; 
-                    for (size_t iU = 0; iU < inLU.second; ++iU){
-                        if(device->do_aik_[do_aik_offset++]){
-                            size_t U_idx = uik_nkj[uik_nkj_offset].first + tid;
-                            size_t A_idx =  device->aik_[aik_offset++]+ tid; 
-                            U[U_idx] = A[A_idx];
-                        }
-                        
-                        for (size_t ikj = 0; ikj < uik_nkj[uik_nkj_offset].second; ++ikj){
-                            size_t U_idx_1 = uik_nkj[uik_nkj_offset].first + tid; 
-                            size_t L_idx = lij_ujk[lij_ujk_offset].first + tid;
-                            size_t U_idx_2 = lij_ujk[lij_ujk_offset].second + tid;
-                            U[U_idx_1] -= L[L_idx] * U[U_idx_2]; 
-                            ++lij_ujk_offset; 
-                        }
-                        ++uik_nkj_offset; 
-                    }
-                   // lower triangular matrix
-                   
-                    L[lki_nkj[lki_nkj_offset++].first + tid] = 1.0;         
-                    
-                    for (size_t iL = 0; iL <inLU.first; ++iL){
-                        if(device->do_aki_[do_aki_offset++]){
-                            size_t L_idx = lki_nkj[lki_nkj_offset].first + tid; 
-                            size_t A_idx = device->aki_[aki_offset++] + tid; 
-                            L[L_idx] = A[A_idx]; 
-                        }
-                        for(size_t ikj = 0; ikj < lki_nkj[lki_nkj_offset].second;++ikj){
-                            size_t L_idx_1 = lki_nkj[lki_nkj_offset].first + tid;
-                            size_t L_idx_2 = lkj_uji[lkj_uji_offset].first + tid;
-                            size_t U_idx = lkj_uji[lkj_uji_offset].second + tid; 
-                            L[L_idx_1] -= L[L_idx_2] * U[U_idx];
-                            ++lkj_uji_offset; 
-                        }
-                        L[lki_nkj[lki_nkj_offset].first + tid]/=U[device->uii_[uii_offset] + tid]; 
-                        ++lki_nkj_offset; 
-                        ++uii_offset; 
-                     }
-                }
+          // upper triangular matrix
+          auto inLU = device->niLU_[i];
+          for (size_t iU = 0; iU < inLU.second; ++iU)
+          {
+            if (device->do_aik_[do_aik_offset++])
+            {
+              size_t U_idx = uik_nkj[uik_nkj_offset].first + tid;
+              size_t A_idx = device->aik_[aik_offset++] + tid;
+              U[U_idx] = A[A_idx];
+            }
+
+            for (size_t ikj = 0; ikj < uik_nkj[uik_nkj_offset].second; ++ikj)
+            {
+              size_t U_idx_1 = uik_nkj[uik_nkj_offset].first + tid;
+              size_t L_idx = lij_ujk[lij_ujk_offset].first + tid;
+              size_t U_idx_2 = lij_ujk[lij_ujk_offset].second + tid;
+              U[U_idx_1] -= L[L_idx] * U[U_idx_2];
+              ++lij_ujk_offset;
+            }
+            ++uik_nkj_offset;
+          }
+          // lower triangular matrix
+
+          L[lki_nkj[lki_nkj_offset++].first + tid] = 1.0;
+
+          for (size_t iL = 0; iL < inLU.first; ++iL)
+          {
+            if (device->do_aki_[do_aki_offset++])
+            {
+              size_t L_idx = lki_nkj[lki_nkj_offset].first + tid;
+              size_t A_idx = device->aki_[aki_offset++] + tid;
+              L[L_idx] = A[A_idx];
             }
-        }// end of kernel
-    
-        std::chrono::nanoseconds DecomposeKernelDriver(
-            CudaSparseMatrixParam& sparseMatrix, 
-            CudaSolverParam& solver){
-            //create device pointers and allocate device memory 
-            double* d_A; 
-            double* d_L; 
-            double* d_U; 
-            bool* d_do_aik; 
-            size_t* d_aik; 
-            bool* d_do_aki;
-            size_t* d_aki;  
-            size_t* d_uii; 
-            std::pair<size_t, size_t>* d_niLU; 
-            std::pair<size_t, size_t>* d_uik_nkj; 
-            std::pair<size_t, size_t>* d_lij_ujk;
-            std::pair<size_t, size_t>* d_lki_nkj; 
-            std::pair<size_t, size_t>* d_lkj_uji;
-            DecomposeDevice* device; 
-        
-            cudaMalloc(&d_A,sizeof(double)* sparseMatrix.A_size_); 
-            cudaMalloc(&d_L,sizeof(double)* sparseMatrix.L_size_); 
-            cudaMalloc(&d_U,sizeof(double)* sparseMatrix.U_size_); 
-            cudaMalloc(&d_do_aik,sizeof(char)* solver.do_aik_size_); 
-            cudaMalloc(&d_aik,sizeof(size_t)* solver.aik_size_); 
-            cudaMalloc(&d_do_aki,sizeof(char)* solver.do_aki_size_); 
-            cudaMalloc(&d_aki,sizeof(size_t)* solver.aki_size_); 
-            cudaMalloc(&d_uii,sizeof(size_t)* solver.uii_size_); 
-            cudaMalloc(&d_niLU,sizeof(std::pair<size_t, size_t>)* solver.niLU_size_); 
-            cudaMalloc(&d_uik_nkj,sizeof(std::pair<size_t, size_t>)* solver.uik_nkj_size_); 
-            cudaMalloc(&d_lij_ujk,sizeof(std::pair<size_t, size_t>)* solver.lij_ujk_size_); 
-            cudaMalloc(&d_lki_nkj,sizeof(std::pair<size_t, size_t>)* solver.lki_nkj_size_); 
-            cudaMalloc(&d_lkj_uji,sizeof(std::pair<size_t, size_t>)* solver.lkj_uji_size_);
-            cudaMalloc(&device, sizeof(DecomposeDevice)); 
-            
-            //transfer data from host to device 
-            cudaMemcpy(d_A, sparseMatrix.A_, sizeof(double)* sparseMatrix.A_size_, cudaMemcpyHostToDevice);             
-            cudaMemcpy(d_L, sparseMatrix.L_, sizeof(double)* sparseMatrix.L_size_, cudaMemcpyHostToDevice); 
-            cudaMemcpy(d_U, sparseMatrix.U_, sizeof(double)* sparseMatrix.U_size_, cudaMemcpyHostToDevice); 
-            cudaMemcpy(d_do_aik, solver.do_aik_, sizeof(char)* solver.do_aik_size_, cudaMemcpyHostToDevice); 
-            cudaMemcpy(d_aik, solver.aik_, sizeof(size_t)* solver.aik_size_, cudaMemcpyHostToDevice); 
-            cudaMemcpy(d_do_aki, solver.do_aki_, sizeof(char)* solver.do_aki_size_, cudaMemcpyHostToDevice); 
-            cudaMemcpy(d_aki, solver.aki_, sizeof(size_t)*solver.aki_size_, cudaMemcpyHostToDevice); 
-            cudaMemcpy(d_uii, solver.uii_, sizeof(size_t)* solver.uii_size_, cudaMemcpyHostToDevice);       
-            cudaMemcpy(d_niLU, solver.niLU_, sizeof(std::pair<size_t, size_t>)*solver.niLU_size_, cudaMemcpyHostToDevice); 
-            cudaMemcpy(d_uik_nkj, solver.uik_nkj_, sizeof(std::pair<size_t, size_t>)*solver.uik_nkj_size_, cudaMemcpyHostToDevice);
-            cudaMemcpy(d_lij_ujk, solver.lij_ujk_, sizeof(std::pair<size_t, size_t>)*solver.lij_ujk_size_, cudaMemcpyHostToDevice);
-            cudaMemcpy(d_lki_nkj, solver.lki_nkj_, sizeof(std::pair<size_t, size_t>)*solver.lki_nkj_size_, cudaMemcpyHostToDevice);
-            cudaMemcpy(d_lkj_uji, solver.lkj_uji_, sizeof(std::pair<size_t, size_t>)*solver.lkj_uji_size_, cudaMemcpyHostToDevice);
-            cudaMemcpy(&(device->A_),&d_A, sizeof(double*), cudaMemcpyHostToDevice);
-            cudaMemcpy(&(device->L_),&d_L, sizeof(double*), cudaMemcpyHostToDevice); 
-            cudaMemcpy(&(device->U_),&d_U, sizeof(double*), cudaMemcpyHostToDevice); 
-            cudaMemcpy(&(device->do_aik_), &d_do_aik, sizeof(char*), cudaMemcpyHostToDevice); 
-            cudaMemcpy(&(device->aik_), &d_aik, sizeof(size_t*), cudaMemcpyHostToDevice); 
-            cudaMemcpy(&(device->do_aki_),&d_do_aki,sizeof(char*),cudaMemcpyHostToDevice); 
-            cudaMemcpy(&(device->aki_),&d_aki, sizeof(size_t*), cudaMemcpyHostToDevice); 
-            cudaMemcpy(&(device->uii_), &d_uii, sizeof(size_t*), cudaMemcpyHostToDevice);
-            cudaMemcpy(&(device->niLU_), &d_niLU, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
-            cudaMemcpy(&(device->uik_nkj_), &d_uik_nkj, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice); 
-            cudaMemcpy(&(device->lij_ujk_), &d_lij_ujk, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice); 
-            cudaMemcpy(&(device->lki_nkj_), &d_lki_nkj, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice); 
-            cudaMemcpy(&(device->lkj_uji_), &d_lkj_uji, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice); 
-        
-            //total number of threads is number of blocks in sparseMatrix A 
-            size_t num_block = (sparseMatrix.n_grids_ + BLOCK_SIZE - 1) / BLOCK_SIZE; 
-          
-           // call kernel
-            auto startTime = std::chrono::high_resolution_clock::now();
-            DecomposeKernel<<<num_block, BLOCK_SIZE>>>(device, sparseMatrix.n_grids_, solver.niLU_size_); 
-            cudaDeviceSynchronize();
-            auto endTime = std::chrono::high_resolution_clock::now();
-            auto kernel_duration = std::chrono::duration_cast<std::chrono::nanoseconds>(endTime - startTime);
-            cudaMemcpy(sparseMatrix.L_, d_L, sizeof(double)* sparseMatrix.L_size_, cudaMemcpyDeviceToHost); 
-            cudaMemcpy(sparseMatrix.U_, d_U, sizeof(double)* sparseMatrix.U_size_, cudaMemcpyDeviceToHost); 
-        //clean up 
-        cudaFree(d_A); 
-        cudaFree(d_L); 
-        cudaFree(d_U); 
-        cudaFree(d_do_aik); 
-        cudaFree(d_aik);
-        cudaFree(d_do_aki); 
-        cudaFree(d_aki); 
-        cudaFree(d_uii); 
-        cudaFree(device); 
-        return kernel_duration; 
-    }//end kernelDriver
- }//end cuda 
-}//end micm
\ No newline at end of file
+            for (size_t ikj = 0; ikj < lki_nkj[lki_nkj_offset].second; ++ikj)
+            {
+              size_t L_idx_1 = lki_nkj[lki_nkj_offset].first + tid;
+              size_t L_idx_2 = lkj_uji[lkj_uji_offset].first + tid;
+              size_t U_idx = lkj_uji[lkj_uji_offset].second + tid;
+              L[L_idx_1] -= L[L_idx_2] * U[U_idx];
+              ++lkj_uji_offset;
+            }
+            L[lki_nkj[lki_nkj_offset].first + tid] /= U[device->uii_[uii_offset] + tid];
+            ++lki_nkj_offset;
+            ++uii_offset;
+          }
+        }
+      }
+    }  // end of kernel
+
+    std::chrono::nanoseconds DecomposeKernelDriver(CudaSparseMatrixParam& sparseMatrix, CudaSolverParam& solver)
+    {
+      // create device pointers and allocate device memory
+      double* d_A;
+      double* d_L;
+      double* d_U;
+      bool* d_do_aik;
+      size_t* d_aik;
+      bool* d_do_aki;
+      size_t* d_aki;
+      size_t* d_uii;
+      std::pair<size_t, size_t>* d_niLU;
+      std::pair<size_t, size_t>* d_uik_nkj;
+      std::pair<size_t, size_t>* d_lij_ujk;
+      std::pair<size_t, size_t>* d_lki_nkj;
+      std::pair<size_t, size_t>* d_lkj_uji;
+      DecomposeDevice* device;
+
+      cudaMalloc(&d_A, sizeof(double) * sparseMatrix.A_size_);
+      cudaMalloc(&d_L, sizeof(double) * sparseMatrix.L_size_);
+      cudaMalloc(&d_U, sizeof(double) * sparseMatrix.U_size_);
+      cudaMalloc(&d_do_aik, sizeof(char) * solver.do_aik_size_);
+      cudaMalloc(&d_aik, sizeof(size_t) * solver.aik_size_);
+      cudaMalloc(&d_do_aki, sizeof(char) * solver.do_aki_size_);
+      cudaMalloc(&d_aki, sizeof(size_t) * solver.aki_size_);
+      cudaMalloc(&d_uii, sizeof(size_t) * solver.uii_size_);
+      cudaMalloc(&d_niLU, sizeof(std::pair<size_t, size_t>) * solver.niLU_size_);
+      cudaMalloc(&d_uik_nkj, sizeof(std::pair<size_t, size_t>) * solver.uik_nkj_size_);
+      cudaMalloc(&d_lij_ujk, sizeof(std::pair<size_t, size_t>) * solver.lij_ujk_size_);
+      cudaMalloc(&d_lki_nkj, sizeof(std::pair<size_t, size_t>) * solver.lki_nkj_size_);
+      cudaMalloc(&d_lkj_uji, sizeof(std::pair<size_t, size_t>) * solver.lkj_uji_size_);
+      cudaMalloc(&device, sizeof(DecomposeDevice));
+
+      // transfer data from host to device
+      cudaMemcpy(d_A, sparseMatrix.A_, sizeof(double) * sparseMatrix.A_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(d_L, sparseMatrix.L_, sizeof(double) * sparseMatrix.L_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(d_U, sparseMatrix.U_, sizeof(double) * sparseMatrix.U_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(d_do_aik, solver.do_aik_, sizeof(char) * solver.do_aik_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(d_aik, solver.aik_, sizeof(size_t) * solver.aik_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(d_do_aki, solver.do_aki_, sizeof(char) * solver.do_aki_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(d_aki, solver.aki_, sizeof(size_t) * solver.aki_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(d_uii, solver.uii_, sizeof(size_t) * solver.uii_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(d_niLU, solver.niLU_, sizeof(std::pair<size_t, size_t>) * solver.niLU_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(
+          d_uik_nkj, solver.uik_nkj_, sizeof(std::pair<size_t, size_t>) * solver.uik_nkj_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(
+          d_lij_ujk, solver.lij_ujk_, sizeof(std::pair<size_t, size_t>) * solver.lij_ujk_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(
+          d_lki_nkj, solver.lki_nkj_, sizeof(std::pair<size_t, size_t>) * solver.lki_nkj_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(
+          d_lkj_uji, solver.lkj_uji_, sizeof(std::pair<size_t, size_t>) * solver.lkj_uji_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->A_), &d_A, sizeof(double*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->L_), &d_L, sizeof(double*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->U_), &d_U, sizeof(double*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->do_aik_), &d_do_aik, sizeof(char*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->aik_), &d_aik, sizeof(size_t*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->do_aki_), &d_do_aki, sizeof(char*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->aki_), &d_aki, sizeof(size_t*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->uii_), &d_uii, sizeof(size_t*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->niLU_), &d_niLU, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->uik_nkj_), &d_uik_nkj, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->lij_ujk_), &d_lij_ujk, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->lki_nkj_), &d_lki_nkj, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
+      cudaMemcpy(&(device->lkj_uji_), &d_lkj_uji, sizeof(std::pair<size_t, size_t>*), cudaMemcpyHostToDevice);
+
+      // total number of threads is number of blocks in sparseMatrix A
+      size_t num_block = (sparseMatrix.n_grids_ + BLOCK_SIZE - 1) / BLOCK_SIZE;
+
+      // call kernel
+      auto startTime = std::chrono::high_resolution_clock::now();
+      DecomposeKernel<<<num_block, BLOCK_SIZE>>>(device, sparseMatrix.n_grids_, solver.niLU_size_);
+      cudaDeviceSynchronize();
+      auto endTime = std::chrono::high_resolution_clock::now();
+      auto kernel_duration = std::chrono::duration_cast<std::chrono::nanoseconds>(endTime - startTime);
+      cudaMemcpy(sparseMatrix.L_, d_L, sizeof(double) * sparseMatrix.L_size_, cudaMemcpyDeviceToHost);
+      cudaMemcpy(sparseMatrix.U_, d_U, sizeof(double) * sparseMatrix.U_size_, cudaMemcpyDeviceToHost);
+      // clean up
+      cudaFree(d_A);
+      cudaFree(d_L);
+      cudaFree(d_U);
+      cudaFree(d_do_aik);
+      cudaFree(d_aik);
+      cudaFree(d_do_aki);
+      cudaFree(d_aki);
+      cudaFree(d_uii);
+      cudaFree(device);
+      return kernel_duration;
+    }  // end kernelDriver
+  }    // namespace cuda
+}  // namespace micm
\ No newline at end of file
diff --git a/test/integration/analytical_surface_rxn_policy.hpp b/test/integration/analytical_surface_rxn_policy.hpp
index ba9242542..21942931e 100644
--- a/test/integration/analytical_surface_rxn_policy.hpp
+++ b/test/integration/analytical_surface_rxn_policy.hpp
@@ -1,28 +1,28 @@
 #include <gtest/gtest.h>
-#include <micm/system/system.hpp>
-#include <micm/system/species.hpp>
-#include <micm/solver/state.hpp>
-#include <micm/solver/rosenbrock.hpp>
+
 #include <micm/process/surface_rate_constant.hpp>
+#include <micm/solver/rosenbrock.hpp>
+#include <micm/solver/state.hpp>
+#include <micm/system/species.hpp>
+#include <micm/system/system.hpp>
 #include <micm/util/constants.hpp>
 
-
 template<class OdeSolverPolicy>
 void test_analytical_surface_rxn(
     const std::function<OdeSolverPolicy(const micm::System&, const std::vector<micm::Process>&)> create_solver)
 {
   // parameters, from CAMP/test/unit_rxn_data/test_rxn_surface.F90
-  const double mode_GMD           = 1.0e-6;  // mode geometric mean diameter [m]
-  const double mode_GSD           = 0.1;     // mode geometric standard deviation [unitless]
-  const double DENSITY_stuff      = 1000.0;  // [kg m-3]
+  const double mode_GMD = 1.0e-6;            // mode geometric mean diameter [m]
+  const double mode_GSD = 0.1;               // mode geometric standard deviation [unitless]
+  const double DENSITY_stuff = 1000.0;       // [kg m-3]
   const double DENSITY_more_stuff = 1000.0;  // [kg m-3]
-  const double MW_stuff           = 0.5;     // [kg mol-1]
-  const double MW_more_stuff      = 0.2;     // [kg mol-1]
-  const double MW_foo             = 0.04607; // [kg mol-1]
-  const double Dg_foo             = 0.95e-5; // diffusion coefficient [m2 s-1]
-  const double rxn_gamma          = 2.0e-2;  // [unitless]
-  const double bar_yield          = 1.0;     // [unitless]
-  const double baz_yield          = 0.4;     // [unitless]
+  const double MW_stuff = 0.5;               // [kg mol-1]
+  const double MW_more_stuff = 0.2;          // [kg mol-1]
+  const double MW_foo = 0.04607;             // [kg mol-1]
+  const double Dg_foo = 0.95e-5;             // diffusion coefficient [m2 s-1]
+  const double rxn_gamma = 2.0e-2;           // [unitless]
+  const double bar_yield = 1.0;              // [unitless]
+  const double baz_yield = 0.4;              // [unitless]
 
   // environment
   const double temperature = 272.5;  // temperature (K)
@@ -37,13 +37,11 @@ void test_analytical_surface_rxn(
   double radius = mode_GMD / 2.0 * exp(5.0 * log(mode_GSD) * log(mode_GSD) / 2.0);
 
   // particle number concentration [# m-3]
-  double number_conc = 6.0 / (M_PI * std::pow(mode_GMD, 3.0)
-    * std::exp(9.0/2.0 * std::log(mode_GSD) * std::log(mode_GSD) ))
-    * (conc_stuff / DENSITY_stuff + conc_more_stuff / DENSITY_more_stuff);
+  double number_conc = 6.0 /
+                       (M_PI * std::pow(mode_GMD, 3.0) * std::exp(9.0 / 2.0 * std::log(mode_GSD) * std::log(mode_GSD))) *
+                       (conc_stuff / DENSITY_stuff + conc_more_stuff / DENSITY_more_stuff);
 
-  micm::Species foo("foo",
-    { { "molecular weight [kg mol-1]", MW_foo },
-    { "diffusion coefficient [m2 s-1]", Dg_foo } });
+  micm::Species foo("foo", { { "molecular weight [kg mol-1]", MW_foo }, { "diffusion coefficient [m2 s-1]", Dg_foo } });
   micm::Species bar("bar");
   micm::Species baz("baz");
 
@@ -54,15 +52,14 @@ void test_analytical_surface_rxn(
   micm::System chemical_system = micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase });
 
   // Rate
-  micm::SurfaceRateConstant surface{
-    { .label_ = "foo", .species_ = foo, .reaction_probability_ = rxn_gamma } };
+  micm::SurfaceRateConstant surface{ { .label_ = "foo", .species_ = foo, .reaction_probability_ = rxn_gamma } };
 
   // Process
   micm::Process surface_process = micm::Process::create()
-                .reactants({ foo })
-                .products({ micm::yields(bar, bar_yield), micm::yields(baz, baz_yield) })
-                .rate_constant(surface)
-                .phase(gas_phase);
+                                      .reactants({ foo })
+                                      .products({ micm::yields(bar, bar_yield), micm::yields(baz, baz_yield) })
+                                      .rate_constant(surface)
+                                      .phase(gas_phase);
 
   auto reactions = std::vector<micm::Process>{ surface_process };
 
@@ -84,8 +81,7 @@ void test_analytical_surface_rxn(
 
   // Surface reaction rate calculation
   double mean_free_speed = std::sqrt(8.0 * GAS_CONSTANT / (M_PI * MW_foo) * temperature);
-  double k1 = 4.0 * number_conc * M_PI * radius * radius /
-    (radius / Dg_foo + 4.0 / (mean_free_speed * rxn_gamma));
+  double k1 = 4.0 * number_conc * M_PI * radius * radius / (radius / Dg_foo + 4.0 / (mean_free_speed * rxn_gamma));
 
   double time_step = 0.1 / k1;  // s
   int nstep = 10;
@@ -93,20 +89,14 @@ void test_analytical_surface_rxn(
   std::vector<std::vector<double>> model_conc(nstep + 1, std::vector<double>(3));
   std::vector<std::vector<double>> analytic_conc(nstep + 1, std::vector<double>(3));
 
-  model_conc[0] = {conc_foo, 0, 0};
-  analytic_conc[0] = {conc_foo, 0, 0};
+  model_conc[0] = { conc_foo, 0, 0 };
+  analytic_conc[0] = { conc_foo, 0, 0 };
 
   size_t idx_foo = 0, idx_bar = 1, idx_baz = 2;
 
-  std::cout << std::setw(3) << "i"
-    << std::setw(7) << "time"
-    << std::setw(11) << "anal foo"
-    << std::setw(11) << "model foo"
-    << std::setw(11) << "anal bar"
-    << std::setw(11) << "model bar"
-    << std::setw(11) << "anal baz"
-    << std::setw(11) << "model baz"
-    << std::endl;
+  std::cout << std::setw(3) << "i" << std::setw(7) << "time" << std::setw(11) << "anal foo" << std::setw(11) << "model foo"
+            << std::setw(11) << "anal bar" << std::setw(11) << "model bar" << std::setw(11) << "anal baz" << std::setw(11)
+            << "model baz" << std::endl;
 
   for (int i = 1; i <= nstep; ++i)
   {
@@ -134,7 +124,7 @@ void test_analytical_surface_rxn(
     model_conc[i] = result.result_.AsVector();
 
     double time = i * time_step;
-    analytic_conc[i][idx_foo] = conc_foo * std::exp(- k1 * time);
+    analytic_conc[i][idx_foo] = conc_foo * std::exp(-k1 * time);
     analytic_conc[i][idx_bar] = bar_yield * (1.0 - analytic_conc[i][idx_foo]);
     analytic_conc[i][idx_baz] = baz_yield * (1.0 - analytic_conc[i][idx_foo]);
 
@@ -143,17 +133,9 @@ void test_analytical_surface_rxn(
     EXPECT_NEAR(analytic_conc[i][idx_bar], model_conc[i][idx_bar], 1e-5);
     EXPECT_NEAR(analytic_conc[i][idx_baz], model_conc[i][idx_baz], 1e-5);
 
-    std::cout
-      << std::setw(3) << i << "  "
-      << std::fixed << std::setprecision(2)
-      << std::setw(5) << time << "  "
-      << std::fixed << std::setprecision(7)
-      << analytic_conc[i][idx_foo] << "  "
-      << model_conc[i][idx_foo] << "  "
-      << analytic_conc[i][idx_bar] << "  "
-      << model_conc[i][idx_bar] << "  "
-      << analytic_conc[i][idx_baz] << "  "
-      << model_conc[i][idx_baz] << "  "
-      << std::endl;
+    std::cout << std::setw(3) << i << "  " << std::fixed << std::setprecision(2) << std::setw(5) << time << "  "
+              << std::fixed << std::setprecision(7) << analytic_conc[i][idx_foo] << "  " << model_conc[i][idx_foo] << "  "
+              << analytic_conc[i][idx_bar] << "  " << model_conc[i][idx_bar] << "  " << analytic_conc[i][idx_baz] << "  "
+              << model_conc[i][idx_baz] << "  " << std::endl;
   }
 }
diff --git a/test/unit/solver/test_cuda_linear_solver.cpp b/test/unit/solver/test_cuda_linear_solver.cpp
index 6a127a628..09921a39f 100644
--- a/test/unit/solver/test_cuda_linear_solver.cpp
+++ b/test/unit/solver/test_cuda_linear_solver.cpp
@@ -1,15 +1,17 @@
 #pragma once
 #include <gtest/gtest.h>
+
 #include <functional>
-#include <random>
+#include <micm/solver/cuda_linear_solver.hpp>
+#include <micm/solver/cuda_lu_decomposition.hpp>
+#include <micm/solver/linear_solver.hpp>
+#include <micm/solver/lu_decomposition.hpp>
 #include <micm/util/matrix.hpp>
 #include <micm/util/sparse_matrix.hpp>
 #include <micm/util/sparse_matrix_vector_ordering.hpp>
 #include <micm/util/vector_matrix.hpp>
-#include <micm/solver/linear_solver.hpp>
-#include <micm/solver/lu_decomposition.hpp>
-#include <micm/solver/cuda_linear_solver.hpp>
-#include <micm/solver/cuda_lu_decomposition.hpp>
+#include <random>
+
 #include "test_linear_solver_policy.hpp"
 
 template<class T>
@@ -23,7 +25,6 @@ using Group4VectorMatrix = micm::VectorMatrix<T, 4>;
 template<class T>
 using Group10000VectorMatrix = micm::VectorMatrix<T, 10000>;
 
-
 template<class T>
 using Group1SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<1>>;
 template<class T>
@@ -72,34 +73,44 @@ std::vector<double> linearSolverGenerator(
   return x.AsVector();
 }
 
-//bit to bit variation between CPU and GPU result with randomMatrixVectorOrdering
-void gpuValidation(){
-   std::vector<double> cpu_x = linearSolverGenerator<Group10000VectorMatrix, Group10000SparseVectorMatrix, micm::LinearSolver<double, Group10000SparseVectorMatrix>>(
+// bit to bit variation between CPU and GPU result with randomMatrixVectorOrdering
+void gpuValidation()
+{
+  std::vector<double> cpu_x = linearSolverGenerator<
+      Group10000VectorMatrix,
+      Group10000SparseVectorMatrix,
+      micm::LinearSolver<double, Group10000SparseVectorMatrix>>(
       [](const Group10000SparseVectorMatrix<double>& matrix,
          double initial_value) -> micm::LinearSolver<double, Group10000SparseVectorMatrix> {
         return micm::LinearSolver<double, Group10000SparseVectorMatrix>{ matrix, initial_value };
       },
       10000);
 
-  std::vector<double> gpu_x = linearSolverGenerator<Group10000VectorMatrix, Group10000SparseVectorMatrix, micm::CudaLinearSolver<double, Group10000SparseVectorMatrix>>(
+  std::vector<double> gpu_x = linearSolverGenerator<
+      Group10000VectorMatrix,
+      Group10000SparseVectorMatrix,
+      micm::CudaLinearSolver<double, Group10000SparseVectorMatrix>>(
       [](const Group10000SparseVectorMatrix<double>& matrix,
          double initial_value) -> micm::CudaLinearSolver<double, Group10000SparseVectorMatrix> {
         return micm::CudaLinearSolver<double, Group10000SparseVectorMatrix>{ matrix, initial_value };
       },
       10000);
 
-  for (int i = 0; i < cpu_x.size(); i++){
-    EXPECT_EQ(cpu_x, gpu_x); 
+  for (int i = 0; i < cpu_x.size(); i++)
+  {
+    EXPECT_EQ(cpu_x, gpu_x);
   }
 }
 
-
 TEST(CudaLinearSolver, DenseMatrixVectorOrdering)
 {
-  testDenseMatrix<Group1VectorMatrix, Group1SparseVectorMatrix, micm::CudaLinearSolver<double, Group1SparseVectorMatrix, micm::CudaLuDecomposition>>(
+  testDenseMatrix<
+      Group1VectorMatrix,
+      Group1SparseVectorMatrix,
+      micm::CudaLinearSolver<double, Group1SparseVectorMatrix, micm::CudaLuDecomposition>>(
       [](const Group1SparseVectorMatrix<double>& matrix,
          double initial_value) -> micm::CudaLinearSolver<double, Group1SparseVectorMatrix, micm::CudaLuDecomposition> {
-        return micm::CudaLinearSolver<double, Group1SparseVectorMatrix, micm::CudaLuDecomposition>{matrix, initial_value};
+        return micm::CudaLinearSolver<double, Group1SparseVectorMatrix, micm::CudaLuDecomposition>{ matrix, initial_value };
       });
 }
 
@@ -130,7 +141,6 @@ TEST(CudaLinearSolver, RandomMatrixVectorOrdering)
       },
       4);
   gpuValidation();
-  
 }
 
 TEST(CudaLinearSolver, DiagonalMatrixVectorOrdering)
@@ -160,5 +170,3 @@ TEST(CudaLinearSolver, DiagonalMatrixVectorOrdering)
       },
       4);
 }
-
-

From b9b2f8810022480e1190645563fc497ab46d04df Mon Sep 17 00:00:00 2001
From: Jiwon Gim <55209567+boulderdaze@users.noreply.github.com>
Date: Tue, 21 Nov 2023 10:36:17 -0700
Subject: [PATCH 300/318] Command-line driver for MICM (#326)

* micm driver that works for chapman config

* set the binary name to micm

Co-authored-by: Kyle Shores <kyle.shores44@gmail.com>

* edit dockerignore file to add examples folder

* add a cmake option for examples

* add TS1 configuration and more

* add carbon bond 5 configuration

* move chapman config

* remove carbon bond 5 config from tutorial

* revert back to kpp chapman configure, add tests

* add a missing header

* print all

---------

Co-authored-by: Kyle Shores <kyle.shores44@gmail.com>
---
 .dockerignore                                 |    1 +
 CMakeLists.txt                                |   16 +
 examples/CMakeLists.txt                       |    7 +
 examples/Chapman/config.json                  |    1 -
 examples/{ => configs}/TS1/config.json        |    0
 examples/configs/TS1/initial_conditions.csv   |  163 +
 examples/{ => configs}/TS1/reactions.json     |    0
 examples/{ => configs}/TS1/species.json       |    0
 examples/configs/carbon_bond_5/config.json    |    7 +
 .../carbon_bond_5/initial_conditions.csv      |   38 +
 examples/configs/carbon_bond_5/reactions.json | 4766 +++++++++++++++++
 examples/configs/carbon_bond_5/species.json   |    1 +
 examples/configs/chapman/config.json          |    6 +
 .../configs/chapman/initial_conditions.csv    |   12 +
 .../chapman}/reactions.json                   |    2 +-
 .../{Chapman => configs/chapman}/species.json |    0
 examples/configs/robertson/config.json        |    6 +
 .../configs/robertson/initial_conditions.csv  |   10 +
 examples/configs/robertson/reactions.json     |   43 +
 examples/configs/robertson/species.json       |   16 +
 examples/example.cpp                          |  261 +
 include/micm/solver/state.hpp                 |    8 +
 include/micm/solver/state.inl                 |   44 +-
 test/examples/CMakeLists.txt                  |   10 +-
 test/examples/test_TS1.cpp                    |    2 +-
 test/examples/test_carbon_bond_5.cpp          |   84 +
 .../{test_Chapman.cpp => test_chapman.cpp}    |    2 +-
 test/examples/test_robertson.cpp              |   60 +
 .../configs/carbon_bond_5/config.json         |    1 -
 .../configs/carbon_bond_5/reactions.json      |    1 -
 .../configs/carbon_bond_5/species.json        |    1 -
 31 files changed, 5553 insertions(+), 16 deletions(-)
 create mode 100644 examples/CMakeLists.txt
 delete mode 100644 examples/Chapman/config.json
 rename examples/{ => configs}/TS1/config.json (100%)
 create mode 100644 examples/configs/TS1/initial_conditions.csv
 rename examples/{ => configs}/TS1/reactions.json (100%)
 rename examples/{ => configs}/TS1/species.json (100%)
 create mode 100644 examples/configs/carbon_bond_5/config.json
 create mode 100644 examples/configs/carbon_bond_5/initial_conditions.csv
 create mode 100644 examples/configs/carbon_bond_5/reactions.json
 create mode 100644 examples/configs/carbon_bond_5/species.json
 create mode 100644 examples/configs/chapman/config.json
 create mode 100644 examples/configs/chapman/initial_conditions.csv
 rename examples/{Chapman => configs/chapman}/reactions.json (99%)
 rename examples/{Chapman => configs/chapman}/species.json (100%)
 create mode 100644 examples/configs/robertson/config.json
 create mode 100644 examples/configs/robertson/initial_conditions.csv
 create mode 100644 examples/configs/robertson/reactions.json
 create mode 100644 examples/configs/robertson/species.json
 create mode 100644 examples/example.cpp
 create mode 100644 test/examples/test_carbon_bond_5.cpp
 rename test/examples/{test_Chapman.cpp => test_chapman.cpp} (99%)
 create mode 100644 test/examples/test_robertson.cpp
 delete mode 100644 test/tutorial/configs/carbon_bond_5/config.json
 delete mode 100644 test/tutorial/configs/carbon_bond_5/reactions.json
 delete mode 100644 test/tutorial/configs/carbon_bond_5/species.json

diff --git a/.dockerignore b/.dockerignore
index 810bb6789..ab47ae477 100644
--- a/.dockerignore
+++ b/.dockerignore
@@ -12,3 +12,4 @@
 !cmake/
 !packaging
 !include/
+!examples
diff --git a/CMakeLists.txt b/CMakeLists.txt
index c8921c7d7..01e7c665e 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -38,6 +38,7 @@ option(ENABLE_CUDA "Build with Cuda support" OFF)
 option(ENABLE_OPENACC "Build with OpenACC Support" OFF)
 option(ENABLE_LLVM "Build with LLVM support for JIT-compiling" OFF)
 option(ENABLE_TESTS "Build the tests" ON)
+option(ENABLE_EXAMPLES "Build the examples" ON)
 set(DEFAULT_VECTOR_MATRIX_SIZE "4" CACHE STRING "Default size for vectorizable matrix types")
 
 include(CMakeDependentOption)
@@ -106,3 +107,18 @@ if (${CMAKE_HOST_SYSTEM_NAME} MATCHES "Linux" AND "${CMAKE_CXX_COMPILER_ID}" STR
     # If the compiler is Clang, use libc++
     set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -stdlib=libc++")
 endif()
+
+################################################################################
+# Command-line driver examples
+
+if(PROJECT_IS_TOP_LEVEL AND ENABLE_EXAMPLES AND ENABLE_JSON)
+  add_subdirectory(examples)
+endif()
+
+################################################################################
+# Copy configuration data
+
+if(ENABLE_TESTS OR ENABLE_EXAMPLES)
+add_custom_target(copy_example_configs ALL ${CMAKE_COMMAND} -E copy_directory
+  ${CMAKE_SOURCE_DIR}/examples/configs ${CMAKE_BINARY_DIR}/examples/configs)
+endif()
\ No newline at end of file
diff --git a/examples/CMakeLists.txt b/examples/CMakeLists.txt
new file mode 100644
index 000000000..73c481d2f
--- /dev/null
+++ b/examples/CMakeLists.txt
@@ -0,0 +1,7 @@
+# disable clang tidy for test files
+set(CMAKE_CXX_CLANG_TIDY "")
+
+add_executable(micmDriver example.cpp)
+target_link_libraries(micmDriver PUBLIC musica::micm )
+
+set_target_properties(micmDriver PROPERTIES OUTPUT_NAME "micm")
\ No newline at end of file
diff --git a/examples/Chapman/config.json b/examples/Chapman/config.json
deleted file mode 100644
index 61165b00d..000000000
--- a/examples/Chapman/config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"camp-files": ["species.json", "reactions.json"]}
diff --git a/examples/TS1/config.json b/examples/configs/TS1/config.json
similarity index 100%
rename from examples/TS1/config.json
rename to examples/configs/TS1/config.json
diff --git a/examples/configs/TS1/initial_conditions.csv b/examples/configs/TS1/initial_conditions.csv
new file mode 100644
index 000000000..4c0b92bff
--- /dev/null
+++ b/examples/configs/TS1/initial_conditions.csv
@@ -0,0 +1,163 @@
+CONC.CH4,7.63078e-05
+CONC.CL2,4.23932e-08
+CONC.CO,4.23932e-08
+CONC.CO2,0.0163214
+CONC.DMS,4.23932e-08
+CONC.H2O,0.0423932
+CONC.H2O2,4.23932e-08
+CONC.HNO3,4.23932e-08
+CONC.ISOP,4.23932e-08
+CONC.M,42.3932
+CONC.N2,33.0667
+CONC.NH3,4.23932e-08
+CONC.NO,4.23932e-08
+CONC.NO2,4.23932e-08
+CONC.O2,8.90257
+CONC.O3,2.11966e-06
+CONC.OH,4.23932e-11
+CONC.SO2,4.23932e-08
+ENV.temperature,287.45
+ENV.pressure,101319.9
+ENV.air_density,42.3932
+ENV.time_step,150.0
+PHOTO.jacet,1e-08
+PHOTO.jalknit->,jch3ooh,1e-08
+PHOTO.jalkooh->,jch3ooh,1e-08
+PHOTO.jbenzooh->,jch3ooh,1e-08
+PHOTO.jbepomuc->,.10*jno2,1e-08
+PHOTO.jbigald->,0.2*jno2,1e-08
+PHOTO.jbigald1->,.14*jno2,1e-08
+PHOTO.jbigald2->,.20*jno2,1e-08
+PHOTO.jbigald3->,.20*jno2,1e-08
+PHOTO.jbigald4->,.006*jno2,1e-08
+PHOTO.jbrcl,1e-08
+PHOTO.jbro,1e-08
+PHOTO.jbrono2_a,1e-08
+PHOTO.jbrono2_b,1e-08
+PHOTO.jbzooh->,jch3ooh,1e-08
+PHOTO.jc2h5ooh->,jch3ooh,1e-08
+PHOTO.jc3h7ooh->,jch3ooh,1e-08
+PHOTO.jc6h5ooh->,jch3ooh,1e-08
+PHOTO.jccl4,1e-08
+PHOTO.jcf2cl2,1e-08
+PHOTO.jcf2clbr,1e-08
+PHOTO.jcf3br,1e-08
+PHOTO.jcfc113,1e-08
+PHOTO.jcfc114,1e-08
+PHOTO.jcfc115,1e-08
+PHOTO.jcfcl3,1e-08
+PHOTO.jch2br2,1e-08
+PHOTO.jch2o_a,1e-08
+PHOTO.jch2o_b,1e-08
+PHOTO.jch3br,1e-08
+PHOTO.jch3ccl3,1e-08
+PHOTO.jch3cho,1e-08
+PHOTO.jch3cl,1e-08
+PHOTO.jch3co3h->,0.28*jh2o2,1e-08
+PHOTO.jch3ooh,1e-08
+PHOTO.jch4_a,1e-08
+PHOTO.jch4_b,1e-08
+PHOTO.jchbr3,1e-08
+PHOTO.jcl2,1e-08
+PHOTO.jcl2o2,1e-08
+PHOTO.jclo,1e-08
+PHOTO.jclono2_a,1e-08
+PHOTO.jclono2_b,1e-08
+PHOTO.jco2,1e-08
+PHOTO.jcof2,1e-08
+PHOTO.jcofcl,1e-08
+PHOTO.jeooh->,jch3ooh,1e-08
+PHOTO.jglyald,1e-08
+PHOTO.jglyoxal->,jmgly,1e-08
+PHOTO.jh2402,1e-08
+PHOTO.jh2o2,1e-08
+PHOTO.jh2o_a,1e-08
+PHOTO.jh2o_b,1e-08
+PHOTO.jh2o_c,1e-08
+PHOTO.jh2so4,1e-08
+PHOTO.jhbr,1e-08
+PHOTO.jhcfc141b,1e-08
+PHOTO.jhcfc142b,1e-08
+PHOTO.jhcfc22,1e-08
+PHOTO.jhcl,1e-08
+PHOTO.jhf,1e-08
+PHOTO.jhno3,1e-08
+PHOTO.jho2no2_a,1e-08
+PHOTO.jho2no2_b,1e-08
+PHOTO.jhobr,1e-08
+PHOTO.jhocl,1e-08
+PHOTO.jhonitr->,jch2o_a,1e-08
+PHOTO.jhpald->,.006*jno2,1e-08
+PHOTO.jhyac,1e-08
+PHOTO.jisopnooh->,jch3ooh,1e-08
+PHOTO.jisopooh->,jch3ooh,1e-08
+PHOTO.jmacr_a,1e-08
+PHOTO.jmacr_b,1e-08
+PHOTO.jmek->,jacet,1e-08
+PHOTO.jmekooh->,jch3ooh,1e-08
+PHOTO.jmgly,1e-08
+PHOTO.jmpan->,jpan,1e-08
+PHOTO.jmvk,1e-08
+PHOTO.jn2o,1e-08
+PHOTO.jn2o5_a,1e-08
+PHOTO.jn2o5_b,1e-08
+PHOTO.jnc4cho->,jch2o_a,1e-08
+PHOTO.jno2,1e-08
+PHOTO.jno3_a,1e-08
+PHOTO.jno3_b,1e-08
+PHOTO.jno=userdefined,,1e-08
+PHOTO.jnoa->,jch2o_a,1e-08
+PHOTO.jnterpooh->,jch3ooh,1e-08
+PHOTO.jo2_a=userdefined,,1e-08
+PHOTO.jo2_b=userdefined,,1e-08
+PHOTO.jo3_a,1e-08
+PHOTO.jo3_b,1e-08
+PHOTO.joclo,1e-08
+PHOTO.jocs,1e-08
+PHOTO.jonitr->,jch3cho,1e-08
+PHOTO.jpan,1e-08
+PHOTO.jphenooh->,jch3ooh,1e-08
+PHOTO.jpooh->,jch3ooh,1e-08
+PHOTO.jrooh->,jch3ooh,1e-08
+PHOTO.jsf6,1e-08
+PHOTO.jso,1e-08
+PHOTO.jso2,1e-08
+PHOTO.jso3,1e-08
+PHOTO.jsoa1_a1->,.0004*jno2,1e-08
+PHOTO.jsoa1_a2->,.0004*jno2,1e-08
+PHOTO.jsoa2_a1->,.0004*jno2,1e-08
+PHOTO.jsoa2_a2->,.0004*jno2,1e-08
+PHOTO.jsoa3_a1->,.0004*jno2,1e-08
+PHOTO.jsoa3_a2->,.0004*jno2,1e-08
+PHOTO.jsoa4_a1->,.0004*jno2,1e-08
+PHOTO.jsoa4_a2->,.0004*jno2,1e-08
+PHOTO.jsoa5_a1->,.0004*jno2,1e-08
+PHOTO.jsoa5_a2->,.0004*jno2,1e-08
+PHOTO.jtepomuc->,.10*jno2,1e-08
+PHOTO.jterp2ooh->,jch3ooh,1e-08
+PHOTO.jterpnit->,jch3ooh,1e-08
+PHOTO.jterpooh->,jch3ooh,1e-08
+PHOTO.jterprd1->,jch3cho,1e-08
+PHOTO.jterprd2->,jch3cho,1e-08
+PHOTO.jtolooh->,jch3ooh,1e-08
+PHOTO.jxooh->,jch3ooh,1e-08
+PHOTO.jxylenooh->,jch3ooh,1e-08
+PHOTO.jxylolooh->,jch3ooh,1e-08
+USER.het1,1e-08
+USER.het10,1e-08
+USER.het11,1e-08
+USER.het12,1e-08
+USER.het13,1e-08
+USER.het14,1e-08
+USER.het15,1e-08
+USER.het16,1e-08
+USER.het17,1e-08
+USER.het2,1e-08
+USER.het3,1e-08
+USER.het4,1e-08
+USER.het5,1e-08
+USER.het6,1e-08
+USER.het7,1e-08
+USER.het8,1e-08
+USER.het9,1e-08
+USER.k_co_oh_jpl19,1e-08
\ No newline at end of file
diff --git a/examples/TS1/reactions.json b/examples/configs/TS1/reactions.json
similarity index 100%
rename from examples/TS1/reactions.json
rename to examples/configs/TS1/reactions.json
diff --git a/examples/TS1/species.json b/examples/configs/TS1/species.json
similarity index 100%
rename from examples/TS1/species.json
rename to examples/configs/TS1/species.json
diff --git a/examples/configs/carbon_bond_5/config.json b/examples/configs/carbon_bond_5/config.json
new file mode 100644
index 000000000..d046530bb
--- /dev/null
+++ b/examples/configs/carbon_bond_5/config.json
@@ -0,0 +1,7 @@
+{
+    "camp-files": [
+      "species.json",
+      "reactions.json"
+    ]
+  }
+  
\ No newline at end of file
diff --git a/examples/configs/carbon_bond_5/initial_conditions.csv b/examples/configs/carbon_bond_5/initial_conditions.csv
new file mode 100644
index 000000000..35bb46874
--- /dev/null
+++ b/examples/configs/carbon_bond_5/initial_conditions.csv
@@ -0,0 +1,38 @@
+ENV.temperature,287.45
+ENV.pressure,101319.9
+ENV.air_density,1e-6
+ENV.time_step,500
+EMIS.NO,1.44e-10
+EMIS.NO2,7.56e-12
+EMIS.CO,1.9600000000000003e-09
+EMIS.SO2,1.06e-09
+EMIS.FORM,1.02e-11
+EMIS.MEOH,5.920000000000001e-13
+EMIS.ALD2,4.25e-12
+EMIS.PAR,4.27e-10
+EMIS.ETH,4.62e-11
+EMIS.OLE,1.49e-11
+EMIS.IOLE,1.49e-11
+EMIS.TOL,1.53e-11
+EMIS.XYL,1.4e-11
+EMIS.ISOP,6.03e-12
+PHOTO.NO2,0.00477
+PHOTO.O3->O1D,2.26e-06
+PHOTO.O3->O3P,0.00025299999999999997
+PHOTO.NO3->NO2,0.11699999999999999
+PHOTO.NO3->NO,0.0144
+PHOTO.HONO,0.000918
+PHOTO.H2O2,2.59e-06
+PHOTO.PNA,1.89e-06
+PHOTO.HNO3,8.61e-08
+PHOTO.NTR,4.77e-07
+PHOTO.ROOH,1.81e-06
+PHOTO.MEPX,1.81e-06
+PHOTO.FORM->HO2,7.93e-06
+PHOTO.FORM->CO,2.2e-05
+PHOTO.ALD2,2.2e-06
+PHOTO.PACD,1.81e-06
+PHOTO.ALDX,2.2e-06
+PHOTO.OPEN,0.0006450000000000001
+PHOTO.MGLY,7.64e-05
+PHOTO.ISPD,1.98e-09
\ No newline at end of file
diff --git a/examples/configs/carbon_bond_5/reactions.json b/examples/configs/carbon_bond_5/reactions.json
new file mode 100644
index 000000000..763c7c013
--- /dev/null
+++ b/examples/configs/carbon_bond_5/reactions.json
@@ -0,0 +1,4766 @@
+{
+  "camp-data": [
+    {
+      "type": "MECHANISM",
+      "name": "music box interactive configuration",
+      "reactions": [
+        {
+          "type": "PHOTOLYSIS",
+          "scaling factor": 1,
+          "MUSICA name": "NO2",
+          "reactants": {
+            "NO2": {}
+          },
+          "products": {
+            "NO": {
+              "yield": 1
+            },
+            "O": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 6e-34,
+          "Ea": 0,
+          "B": -2.4,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "O": {
+              "qty": 1
+            },
+            "O2": {
+              "qty": 1
+            },
+            "M": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "O3": {
+              "yield": 1
+            },
+            "M": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 3e-12,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "O3": {
+              "qty": 1
+            },
+            "NO": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "NO2": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 5.6e-12,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "O": {
+              "qty": 1
+            },
+            "NO2": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "NO": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "TROE",
+          "k0_A": 2.5e-31,
+          "k0_B": -1.8,
+          "k0_C": 0,
+          "kinf_A": 2.2e-11,
+          "kinf_B": -0.7,
+          "kinf_C": 0,
+          "Fc": 0.6,
+          "N": 1,
+          "reactants": {
+            "O": {
+              "qty": 1
+            },
+            "NO2": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "NO3": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "TROE",
+          "k0_A": 9e-32,
+          "k0_B": -1.5,
+          "k0_C": 0,
+          "kinf_A": 3e-11,
+          "kinf_B": 0,
+          "kinf_C": 0,
+          "Fc": 0.6,
+          "N": 1,
+          "reactants": {
+            "O": {
+              "qty": 1
+            },
+            "NO": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "NO2": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 1.2e-13,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "NO2": {
+              "qty": 1
+            },
+            "O3": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "NO3": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "scaling factor": 1,
+          "MUSICA name": "O3->O3P",
+          "reactants": {
+            "O3": {}
+          },
+          "products": {
+            "O": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "scaling factor": 1,
+          "MUSICA name": "O3->O1D",
+          "reactants": {
+            "O3": {}
+          },
+          "products": {
+            "O1D": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 2.1e-11,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "O1D": {
+              "qty": 1
+            },
+            "M": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "O": {
+              "yield": 1
+            },
+            "M": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 2.2e-10,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "O1D": {
+              "qty": 1
+            },
+            "H2O": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "OH": {
+              "yield": 2
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 1.7e-12,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "O3": {
+              "qty": 1
+            },
+            "OH": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "HO2": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 1e-14,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "O3": {
+              "qty": 1
+            },
+            "HO2": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "OH": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "scaling factor": 1,
+          "MUSICA name": "NO3->NO2",
+          "reactants": {
+            "NO3": {}
+          },
+          "products": {
+            "NO2": {
+              "yield": 1
+            },
+            "O": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "scaling factor": 1,
+          "MUSICA name": "NO3->NO",
+          "reactants": {
+            "NO3": {}
+          },
+          "products": {
+            "NO": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 1.5e-11,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "NO3": {
+              "qty": 1
+            },
+            "NO": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "NO2": {
+              "yield": 2
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 4.5e-14,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "NO3": {
+              "qty": 1
+            },
+            "NO2": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "NO": {
+              "yield": 1
+            },
+            "NO2": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "TROE",
+          "k0_A": 2e-30,
+          "k0_B": -4.4,
+          "k0_C": 0,
+          "kinf_A": 1.4e-12,
+          "kinf_B": -0.7,
+          "kinf_C": 0,
+          "Fc": 0.6,
+          "N": 1,
+          "reactants": {
+            "NO3": {
+              "qty": 1
+            },
+            "NO2": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "N2O5": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 2.5e-22,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "N2O5": {
+              "qty": 1
+            },
+            "H2O": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "HNO3": {
+              "yield": 2
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 1.8e-39,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "N2O5": {
+              "qty": 1
+            },
+            "H2O": {
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+          "products": {
+            "HCL": {
+              "yield": 1
+            },
+            "HO2": {
+              "yield": 1
+            },
+            "ALD2": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 6.58e-13,
+          "Ea": 0,
+          "B": 1.16,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "HCL": {
+              "qty": 1
+            },
+            "OH": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "CL": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 2.7e-12,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "TOLRO2": {
+              "qty": 1
+            },
+            "NO": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "NO": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 1.9e-13,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "TOLRO2": {
+              "qty": 1
+            },
+            "HO2": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "HO2": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 2.7e-12,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "XYLRO2": {
+              "qty": 1
+            },
+            "NO": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "NO": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 1.9e-13,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "XYLRO2": {
+              "qty": 1
+            },
+            "HO2": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "HO2": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 2.47e-12,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "BENZENE": {
+              "qty": 1
+            },
+            "OH": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "OH": {
+              "yield": 1
+            },
+            "BENZRO2": {
+              "yield": 0.764
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 2.7e-12,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "BENZRO2": {
+              "qty": 1
+            },
+            "NO": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "NO": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 1.9e-13,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "BENZRO2": {
+              "qty": 1
+            },
+            "HO2": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "HO2": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 1.16e-14,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "SESQ": {
+              "qty": 1
+            },
+            "O3": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "O3": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 1.97e-10,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "SESQ": {
+              "qty": 1
+            },
+            "OH": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "OH": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "ARRHENIUS",
+          "A": 1.9e-11,
+          "Ea": 0,
+          "B": 0,
+          "D": 300,
+          "E": 0,
+          "reactants": {
+            "SESQ": {
+              "qty": 1
+            },
+            "NO3": {
+              "qty": 1
+            }
+          },
+          "products": {
+            "NO3": {
+              "yield": 1
+            }
+          }
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "scaling factor": 1,
+          "MUSICA name": "O2",
+          "reactants": {
+            "O2": {}
+          },
+          "products": {
+            "O": {
+              "yield": 2
+            }
+          }
+        },
+        {
+          "type": "EMISSION",
+          "scaling factor": 1,
+          "MUSICA name": "NO",
+          "species": "NO"
+        },
+        {
+          "type": "EMISSION",
+          "scaling factor": 1,
+          "MUSICA name": "NO2",
+          "species": "NO2"
+        },
+        {
+          "type": "EMISSION",
+          "scaling factor": 1,
+          "MUSICA name": "CO",
+          "species": "CO"
+        },
+        {
+          "type": "EMISSION",
+          "scaling factor": 1,
+          "MUSICA name": "SO2",
+          "species": "SO2"
+        },
+        {
+          "type": "EMISSION",
+          "scaling factor": 1,
+          "MUSICA name": "FORM",
+          "species": "FORM"
+        },
+        {
+          "type": "EMISSION",
+          "scaling factor": 1,
+          "MUSICA name": "MEOH",
+          "species": "MEOH"
+        },
+        {
+          "type": "EMISSION",
+          "scaling factor": 1,
+          "MUSICA name": "ALD2",
+          "species": "ALD2"
+        },
+        {
+          "type": "EMISSION",
+          "scaling factor": 1,
+          "MUSICA name": "PAR",
+          "species": "PAR"
+        },
+        {
+          "type": "EMISSION",
+          "scaling factor": 1,
+          "MUSICA name": "ETH",
+          "species": "ETH"
+        },
+        {
+          "type": "EMISSION",
+          "scaling factor": 1,
+          "MUSICA name": "OLE",
+          "species": "OLE"
+        },
+        {
+          "type": "EMISSION",
+          "scaling factor": 1,
+          "MUSICA name": "IOLE",
+          "species": "IOLE"
+        },
+        {
+          "type": "EMISSION",
+          "scaling factor": 1,
+          "MUSICA name": "TOL",
+          "species": "TOL"
+        },
+        {
+          "type": "EMISSION",
+          "scaling factor": 1,
+          "MUSICA name": "XYL",
+          "species": "XYL"
+        },
+        {
+          "type": "EMISSION",
+          "scaling factor": 1,
+          "MUSICA name": "ISOP",
+          "species": "ISOP"
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/examples/configs/carbon_bond_5/species.json b/examples/configs/carbon_bond_5/species.json
new file mode 100644
index 000000000..d96ac8098
--- /dev/null
+++ b/examples/configs/carbon_bond_5/species.json
@@ -0,0 +1 @@
+{"camp-data": [{"name": "AACD", "type": "CHEM_SPEC"}, {"name": "ALD2", "type": "CHEM_SPEC"}, {"name": "ALDX", "type": "CHEM_SPEC"}, {"name": "BENZENE", "type": "CHEM_SPEC"}, {"name": "BENZRO2", "type": "CHEM_SPEC"}, {"name": "C2O3", "type": "CHEM_SPEC"}, {"name": "CH4", "type": "CHEM_SPEC"}, {"name": "CL", "type": "CHEM_SPEC"}, {"name": "CL2", "type": "CHEM_SPEC"}, {"name": "CLO", "type": "CHEM_SPEC"}, {"name": "CO", "type": "CHEM_SPEC"}, {"name": "CRES", "type": "CHEM_SPEC"}, {"name": "CRO", "type": "CHEM_SPEC"}, {"name": "CXO3", "type": "CHEM_SPEC"}, {"name": "ETH", "type": "CHEM_SPEC"}, {"name": "ETHA", "type": "CHEM_SPEC"}, {"name": "ETOH", "type": "CHEM_SPEC"}, {"name": "FACD", "type": "CHEM_SPEC"}, {"name": "FMCL", "type": "CHEM_SPEC"}, {"name": "FORM", "type": "CHEM_SPEC"}, {"name": "H2", "type": "CHEM_SPEC"}, {"name": "H2O", "type": "CHEM_SPEC"}, {"name": "H2O2", "type": "CHEM_SPEC"}, {"name": "HCL", "type": "CHEM_SPEC"}, {"name": "HCO3", "type": "CHEM_SPEC"}, {"name": "HNO3", "type": "CHEM_SPEC"}, {"name": "HO2", "type": "CHEM_SPEC"}, {"name": "HOCL", "type": "CHEM_SPEC"}, {"name": "HONO", "type": "CHEM_SPEC"}, {"name": "IOLE", "type": "CHEM_SPEC"}, {"name": "ISOP", "type": "CHEM_SPEC"}, {"name": "ISPD", "type": "CHEM_SPEC"}, {"name": "M", "type": "CHEM_SPEC"}, {"name": "MEO2", "type": "CHEM_SPEC"}, {"name": "MEOH", "type": "CHEM_SPEC"}, {"name": "MEPX", "type": "CHEM_SPEC"}, {"name": "MGLY", "type": "CHEM_SPEC"}, {"name": "N2O5", "type": "CHEM_SPEC"}, {"name": "NO", "type": "CHEM_SPEC"}, {"name": "NO2", "type": "CHEM_SPEC"}, {"name": "NO3", "type": "CHEM_SPEC"}, {"name": "NTR", "type": "CHEM_SPEC"}, {"name": "O", "type": "CHEM_SPEC"}, {"name": "O1D", "type": "CHEM_SPEC"}, {"name": "O3", "type": "CHEM_SPEC"}, {"name": "OH", "type": "CHEM_SPEC"}, {"name": "O2", "type": "CHEM_SPEC"}, {"name": "OLE", "type": "CHEM_SPEC"}, {"name": "OPEN", "type": "CHEM_SPEC"}, {"name": "PACD", "type": "CHEM_SPEC"}, {"name": "PAN", "type": "CHEM_SPEC"}, {"name": "PANX", "type": "CHEM_SPEC"}, {"name": "PAR", "type": "CHEM_SPEC"}, {"name": "PNA", "type": "CHEM_SPEC"}, {"name": "ROOH", "type": "CHEM_SPEC"}, {"name": "ROR", "type": "CHEM_SPEC"}, {"name": "SESQ", "type": "CHEM_SPEC"}, {"name": "SO2", "type": "CHEM_SPEC"}, {"name": "SULF", "type": "CHEM_SPEC"}, {"name": "TERP", "type": "CHEM_SPEC"}, {"name": "TO2", "type": "CHEM_SPEC"}, {"name": "TOL", "type": "CHEM_SPEC"}, {"name": "TOLRO2", "type": "CHEM_SPEC"}, {"name": "XO2", "type": "CHEM_SPEC"}, {"name": "XO2N", "type": "CHEM_SPEC"}, {"name": "XYL", "type": "CHEM_SPEC"}, {"name": "XYLRO2", "type": "CHEM_SPEC"}]}
\ No newline at end of file
diff --git a/examples/configs/chapman/config.json b/examples/configs/chapman/config.json
new file mode 100644
index 000000000..04d0ef289
--- /dev/null
+++ b/examples/configs/chapman/config.json
@@ -0,0 +1,6 @@
+{
+  "camp-files": [
+    "species.json",
+    "reactions.json"
+  ]
+}
diff --git a/examples/configs/chapman/initial_conditions.csv b/examples/configs/chapman/initial_conditions.csv
new file mode 100644
index 000000000..026fecfb7
--- /dev/null
+++ b/examples/configs/chapman/initial_conditions.csv
@@ -0,0 +1,12 @@
+CONC.M,0.779127760953859
+CONC.O1D,0.925827943758015
+CONC.O,0.566253459937848
+CONC.O2,0.566253459937848
+CONC.O3,0.566253459937848
+ENV.temperature,227.0
+ENV.pressure,1200.0
+ENV.air_density,1e6
+ENV.time_step,3600
+PHOTO.R1,6.0e-11
+PHOTO.R3,1.0e-3
+PHOTO.R5,1.0e-3
\ No newline at end of file
diff --git a/examples/Chapman/reactions.json b/examples/configs/chapman/reactions.json
similarity index 99%
rename from examples/Chapman/reactions.json
rename to examples/configs/chapman/reactions.json
index f37fd2030..679593f9b 100644
--- a/examples/Chapman/reactions.json
+++ b/examples/configs/chapman/reactions.json
@@ -94,4 +94,4 @@
             ]
         }
     ]
-}
+}
\ No newline at end of file
diff --git a/examples/Chapman/species.json b/examples/configs/chapman/species.json
similarity index 100%
rename from examples/Chapman/species.json
rename to examples/configs/chapman/species.json
diff --git a/examples/configs/robertson/config.json b/examples/configs/robertson/config.json
new file mode 100644
index 000000000..514d11240
--- /dev/null
+++ b/examples/configs/robertson/config.json
@@ -0,0 +1,6 @@
+{
+    "camp-files": [
+      "species.json",
+      "reactions.json"
+    ]
+  }
\ No newline at end of file
diff --git a/examples/configs/robertson/initial_conditions.csv b/examples/configs/robertson/initial_conditions.csv
new file mode 100644
index 000000000..b9edac99c
--- /dev/null
+++ b/examples/configs/robertson/initial_conditions.csv
@@ -0,0 +1,10 @@
+CONC.A,1
+CONC.B,0
+CONC.C,0
+ENV.temperature,272.5
+ENV.pressure,101253.3
+ENV.air_density,1e6
+ENV.time_step,200.0
+PHOTO.r1,0.04
+PHOTO.r2,3e7
+PHOTO.r3,1e4
\ No newline at end of file
diff --git a/examples/configs/robertson/reactions.json b/examples/configs/robertson/reactions.json
new file mode 100644
index 000000000..cbffae848
--- /dev/null
+++ b/examples/configs/robertson/reactions.json
@@ -0,0 +1,43 @@
+{
+  "camp-data": [
+    {
+      "name": "reaction rates no user defined",
+      "type": "MECHANISM",
+      "reactions": [
+        {
+          "type": "PHOTOLYSIS",
+          "reactants": {
+            "A": {}
+          },
+          "products": {
+            "B": {}
+          },
+          "MUSICA name": "r1"
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "reactants": {
+            "B": { "qty": 2}
+          },
+          "products": {
+            "B": {},
+            "C": {}
+          },
+          "MUSICA name": "r2"
+        },
+        {
+          "type": "PHOTOLYSIS",
+          "reactants": {
+            "B": {},
+            "C": {}
+          },
+          "products": {
+            "A": {},
+            "C": {}
+          },
+          "MUSICA name": "r3"
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/examples/configs/robertson/species.json b/examples/configs/robertson/species.json
new file mode 100644
index 000000000..5a1a8db68
--- /dev/null
+++ b/examples/configs/robertson/species.json
@@ -0,0 +1,16 @@
+{
+  "camp-data": [
+    {
+      "name": "A",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "B",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "C",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/examples/example.cpp b/examples/example.cpp
new file mode 100644
index 000000000..ae7c93cf1
--- /dev/null
+++ b/examples/example.cpp
@@ -0,0 +1,261 @@
+#include <algorithm>
+#include <iostream>
+#include <fstream>
+#include <sstream>
+#include <iterator>
+#include <string>
+#include <vector>
+#include <unordered_map>
+#include <filesystem>
+#include <iomanip>
+#include <map>
+#include <stdexcept>
+
+
+// Each rate constant is in its own header file
+#include <micm/process/arrhenius_rate_constant.hpp>
+#include <micm/process/branched_rate_constant.hpp>
+#include <micm/process/surface_rate_constant.hpp>
+#include <micm/process/ternary_chemical_activation_rate_constant.hpp>
+#include <micm/process/troe_rate_constant.hpp>
+#include <micm/process/tunneling_rate_constant.hpp>
+#include <micm/solver/rosenbrock.hpp>
+#include <micm/configure/solver_config.hpp>
+
+namespace fs = std::filesystem;
+using namespace micm;
+
+/// @brief Struct of mapping keys in certain type to its initial condition values 
+struct InitialConditions
+{
+    std::unordered_map<std::string, double> environments;
+    std::unordered_map<std::string, std::vector<double>> concentrations;
+    std::unordered_map<std::string, std::vector<double>> custom_rate_params;
+
+    bool empty()
+    {
+        if (!environments.empty())    
+            return false;
+        else 
+            return true; 
+    }
+    
+    bool is_incomplete()
+    {
+        return !status_;
+    }
+
+    void incomplete_parsing()
+    {   
+        status_ = false;
+    }
+
+    private:
+        bool status_ = true;
+};
+
+/// @brief Reads CSV file and creates InitialConditions object 
+///        holding initial values for input data
+/// @param filename
+/// @return InitialCondtions object
+InitialConditions readCSVToMap(const std::string& filename)
+{
+    const std::string CONC_PREFIX = "CONC.";
+    const std::string ENV_PREFIX = "ENV.";
+    const std::string PHOTO_PREFIX = "PHOTO.";
+    const std::string EMIS_PREFIX = "EMIS.";
+    const std::string LOSS_PREFIX = "LOSS.";
+    const std::string USER_PREFIX = "USER.";
+    constexpr int CONC_POS = 5;
+    constexpr int ENV_POS = 4;
+
+    InitialConditions dataMap;
+    std::ifstream file(filename);
+
+    if (!file.is_open())
+    {
+        std::cerr << "Error: Unable to open file \"" << filename << "\"" << std::endl;
+        return dataMap;
+    }
+
+    std::string line;
+    std::string key, value_string;
+    size_t delimiter_pos;  
+    double value;
+
+    while (std::getline(file, line))
+    {   
+        if (line.empty()) continue;
+        
+        // Find concentrations 
+        else if (line.find(CONC_PREFIX) != std::string::npos)
+        {
+            delimiter_pos = line.find_last_of(',');
+            if (delimiter_pos == std::string::npos)
+            {
+                std::cerr << "Error: Unable to find the delimiter \',' in \"" << line << "\"" << std::endl;
+                dataMap.incomplete_parsing();
+                return dataMap;
+            }
+            
+            key = line.substr(CONC_POS, delimiter_pos - CONC_POS);
+            value_string = line.substr(delimiter_pos + 1);
+            
+            try 
+            {
+                value = std::stod(value_string);
+                dataMap.concentrations[key].emplace_back(value);
+            }
+            catch(std::invalid_argument)
+            {
+                std::cerr << "Parsing Error: Unable to convert string to double for the value of "<< "\""<< value_string << "\"" << std::endl;
+                dataMap.incomplete_parsing();
+                return dataMap;
+            }
+        }
+
+        // Find environment parameters (temp, pressure, density)
+        else if (line.find(ENV_PREFIX) != std::string::npos)
+        {
+            delimiter_pos = line.find_last_of(',');
+            if (delimiter_pos == std::string::npos)
+            {
+                std::cerr << "Error: Unable to find the delimiter \',' in \"" << line << "\"" << std::endl;
+                dataMap.incomplete_parsing();
+                return dataMap;
+            }
+
+            key = line.substr(ENV_POS, delimiter_pos - ENV_POS);
+            value_string = line.substr(delimiter_pos + 1);
+
+            try 
+            {
+                value = std::stod(value_string);
+                dataMap.environments[key] = value;
+            }
+            catch(std::invalid_argument)
+            {
+                std::cerr << "Parsing Error: Unable to convert string to double for the value of "<< "\""<< value_string << "\"" << std::endl;
+                dataMap.incomplete_parsing();
+                return dataMap;
+            }
+        }
+        // Find custom rate constants
+        else if (line.find(PHOTO_PREFIX) != std::string::npos 
+               || line.find(EMIS_PREFIX) != std::string::npos 
+               || line.find(LOSS_PREFIX) != std::string::npos
+               || line.find(USER_PREFIX) != std::string::npos)
+        {
+            delimiter_pos = line.find_last_of(',');
+            if (delimiter_pos == std::string::npos)
+            {
+                std::cerr << "Error: Unable to find the delimiter \',' in \"" << line << "\"" << std::endl;
+                dataMap.incomplete_parsing();
+                return dataMap;
+            }
+
+            key = line.substr(0, delimiter_pos);
+            value_string = line.substr(delimiter_pos + 1);
+            
+            try 
+            {
+                value = std::stod(value_string);
+                dataMap.custom_rate_params[key].emplace_back(value);
+            }
+            catch(std::invalid_argument)
+            {
+                std::cerr << "Parsing Error: Unable to convert string to double for the value of "<< "\""<< value_string << "\"" << std::endl;
+                dataMap.incomplete_parsing();
+                return dataMap;
+            }
+        }
+        else
+        {
+            std::cerr << "Error: Unable to parse string \"" << line << "\"" << std::endl;
+            dataMap.incomplete_parsing();
+            return dataMap;
+        }
+    }
+
+    return dataMap;
+}
+
+
+int main(const int argc, const char *argv[])
+{
+    if (argc < 2)
+    {
+        std::cout << "  path                  Path to the folder holding the configuration data" << std::endl;
+        std::cout << "  initial condition     csv file contanining initial condtions" << std::endl;
+        return 1;
+    }
+
+    fs::path config_path {argv[1]};
+    std::string initial_conditions_file {argv[2]};
+
+    // Read configure files
+    SolverConfig solverConfig;
+    ConfigParseStatus status = solverConfig.ReadAndParse(config_path);
+    if (status != ConfigParseStatus::Success) 
+    {
+        std::cout << "Error: Parsing configuration data failed" << std::endl; 
+        return 1;
+    }
+
+    // Read csv file containing initial conditions 
+    auto dataMap = readCSVToMap(initial_conditions_file);
+    if (dataMap.empty())
+    {
+        std::cout << "Error: Failed in reading CSV file. Please verify file path and/or file name of \"" << initial_conditions_file << "\""<< std::endl; 
+        return 1;
+    }
+    else if (dataMap.is_incomplete())
+    {
+        std::cout << "Error: Parsing csv file is incomplete . Please verify content formatting of \"" << initial_conditions_file << "\""<< std::endl; 
+        return 1;
+    }
+
+    SolverParameters solver_params = solverConfig.GetSolverParams();
+    auto chemical_system = solver_params.system_;
+    auto reactions = solver_params.processes_;
+
+    RosenbrockSolver<> solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+
+    State state = solver.GetState();
+
+    state.conditions_[0].temperature_ = dataMap.environments["temperature"];  // K
+    state.conditions_[0].pressure_ = dataMap.environments["pressure"];        // Pa
+    state.conditions_[0].air_density_ = dataMap.environments["air_density"];  // mol m-3
+
+    state.SetConcentrations(dataMap.concentrations);
+
+    if (!dataMap.custom_rate_params.empty())
+    {   
+        for(auto& [rate_constant_key, rate_constant_val] : dataMap.custom_rate_params)
+        {
+            state.SetCustomRateParameter(rate_constant_key,  rate_constant_val[0]);
+        }
+    }
+
+    // choose a timestep and print the initial state
+    double time_step = dataMap.environments["time_step"];  // s
+
+    state.PrintHeader();
+    state.PrintState(0);
+
+    // Depending on how stiff the system is
+    // the solver integration step may not be able to solve for the full time step
+    // so we need to track how much time the solver was able to integrate for and continue
+    // solving until we finish
+    double elapsed_solve_time = 0;
+
+    while (elapsed_solve_time < time_step)
+    {
+      auto result = solver.Solve(time_step - elapsed_solve_time, state);
+      elapsed_solve_time = result.final_time_;
+      state.variables_ = result.result_;
+    }
+    state.PrintState(time_step);
+
+    return 0;
+}
\ No newline at end of file
diff --git a/include/micm/solver/state.hpp b/include/micm/solver/state.hpp
index 5b7750439..fa958d05b 100644
--- a/include/micm/solver/state.hpp
+++ b/include/micm/solver/state.hpp
@@ -13,6 +13,7 @@
 #include <string>
 #include <unordered_map>
 #include <vector>
+#include <iomanip>
 
 namespace micm
 {
@@ -75,6 +76,13 @@ namespace micm
     /// @param value new parameter value
     void SetCustomRateParameter(const std::string& label, double value);
     void SetCustomRateParameter(const std::string& label, const std::vector<double>& values);
+
+    /// @brief Print a header of species to display concentrations with respect to time
+    void PrintHeader();
+
+    /// @brief Print state (concentrations) at the given time 
+    /// @param time solving time
+    void PrintState(double time);
   };
 
 }  // namespace micm
diff --git a/include/micm/solver/state.inl b/include/micm/solver/state.inl
index 6197fabe5..750b8baaf 100644
--- a/include/micm/solver/state.inl
+++ b/include/micm/solver/state.inl
@@ -94,7 +94,7 @@ namespace micm
   {
     auto param = custom_rate_parameter_map_.find(label);
     if (param == custom_rate_parameter_map_.end())
-      throw std::invalid_argument("Unkonwn rate constant parameter '" + label + "'");
+      throw std::invalid_argument("Unknown rate constant parameter '" + label + "'");
     if (custom_rate_parameters_.size() != 1)
       throw std::invalid_argument("Incorrect number of custom rate parameter values passed to multi-gridcell State");
     custom_rate_parameters_[0][param->second] = value;
@@ -105,11 +105,51 @@ namespace micm
   {
     auto param = custom_rate_parameter_map_.find(label);
     if (param == custom_rate_parameter_map_.end())
-      throw std::invalid_argument("Unkonwn rate constant parameter '" + label + "'");
+      throw std::invalid_argument("Unknown rate constant parameter '" + label + "'");
     if (custom_rate_parameters_.size() != values.size())
       throw std::invalid_argument("Incorrect number of custom rate parameter values passed to multi-gridcell State");
     for (std::size_t i = 0; i < custom_rate_parameters_.size(); ++i)
       custom_rate_parameters_[i][param->second] = values[i];
   }
 
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
+  inline void State<MatrixPolicy, SparseMatrixPolicy>::PrintHeader()
+  {
+    auto largest_str_iter = std::max_element(variable_names_.begin(), variable_names_.end(),
+                                  [](const auto& a, const auto& b) {
+                                      return a.size() < b.size();});
+    int largest_str_size = largest_str_iter->size();
+    int width = (largest_str_size < 10) ? 11 : largest_str_size + 2;
+
+    std::cout << std::setw(5) << "time";
+
+    for(auto& species : variable_names_)
+    {
+      std::cout << "," << std::setw(width) << species;
+    }
+    std::cout << std::endl;
+  }
+
+  template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy>
+  inline void State<MatrixPolicy, SparseMatrixPolicy>::PrintState(double time)
+  {
+    std::ios oldState(nullptr);
+    oldState.copyfmt(std::cout);
+
+    auto largest_str_iter = std::max_element(variable_names_.begin(), variable_names_.end(),
+                                  [](const auto& a, const auto& b) {
+                                      return a.size() < b.size();});
+    int largest_str_size = largest_str_iter->size();
+    int width = (largest_str_size < 10) ? 11 : largest_str_size + 2;
+
+    std::cout << std::setw(5) << time << std::flush;
+
+    for(auto& species : variable_names_)
+    {
+      std::cout << std::scientific << "," << std::setw(width) << std::setprecision(2) << variables_[0][variable_map_[species]];
+    }
+    std::cout << std::endl;
+    std::cout.copyfmt(oldState);
+  }
+
 }  // namespace micm
diff --git a/test/examples/CMakeLists.txt b/test/examples/CMakeLists.txt
index bcd85040e..b3d56dd63 100644
--- a/test/examples/CMakeLists.txt
+++ b/test/examples/CMakeLists.txt
@@ -1,11 +1,7 @@
-################################################################################
-# Copy test data
-
-add_custom_target(copy_example_configs ALL ${CMAKE_COMMAND} -E copy_directory
-  ${CMAKE_SOURCE_DIR}/examples ${CMAKE_BINARY_DIR}/examples)
-
 ################################################################################
 # Build example tests
 
-create_standard_test(NAME Chapman SOURCES test_Chapman.cpp)
+create_standard_test(NAME Chapman SOURCES test_chapman.cpp)
+create_standard_test(NAME carbon_bond_5 SOURCES test_carbon_bond_5.cpp)
+create_standard_test(NAME robertson SOURCES test_robertson.cpp)
 create_standard_test(NAME TS1 SOURCES test_TS1.cpp)
diff --git a/test/examples/test_TS1.cpp b/test/examples/test_TS1.cpp
index 7f6aca75f..4ce2e141c 100644
--- a/test/examples/test_TS1.cpp
+++ b/test/examples/test_TS1.cpp
@@ -18,7 +18,7 @@
 TEST(Examples, TS1)
 {
   micm::SolverConfig config;
-  std::string config_path = "./examples/TS1";
+  std::string config_path = "./examples/configs/TS1";
   auto status = config.ReadAndParse(config_path);
   EXPECT_EQ(status, micm::ConfigParseStatus::Success);
   auto solver_params = config.GetSolverParams();
diff --git a/test/examples/test_carbon_bond_5.cpp b/test/examples/test_carbon_bond_5.cpp
new file mode 100644
index 000000000..396fd4fe2
--- /dev/null
+++ b/test/examples/test_carbon_bond_5.cpp
@@ -0,0 +1,84 @@
+// Copyright (C) 2023 National Center for Atmospheric Research,
+//
+// SPDX-License-Identifier: Apache-2.0
+//
+// Test of the TS1 example mechanism (MZ327_TS1.2_20230307 in the Chemistry Cafe)
+//
+// This only tests that a solver can be built for this mechanism and that it
+// can be run for a given set of initial conditions without solver errors.
+//
+// Comparisons with other chemistry solvers are included in
+// https://github.com/NCAR/MUSICA-Performance-Comparison
+
+#include <gtest/gtest.h>
+
+#include <micm/configure/solver_config.hpp>
+#include <micm/solver/rosenbrock.hpp>
+
+TEST(Examples, carbon_bond_5)
+{
+  micm::SolverConfig config;
+  std::string config_path = "./examples/configs/carbon_bond_5";
+  auto status = config.ReadAndParse(config_path);
+  EXPECT_EQ(status, micm::ConfigParseStatus::Success);
+  auto solver_params = config.GetSolverParams();
+  micm::RosenbrockSolver<> solver{ solver_params.system_,
+                                   solver_params.processes_,
+                                   micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+  micm::State state = solver.GetState();
+
+  const double temperature = 287.45;                             // K
+  const double pressure = 101319.9;                              // Pa
+  const double air_density = 1e6;                                // mol m-3
+
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.conditions_[0].air_density_ = air_density;
+
+  std::unordered_map<std::string, std::vector<double>> custom_rate_constants = {
+    {"EMIS.NO", {1.44e-10}},                    
+    {"EMIS.NO2", {7.56e-12}},
+    {"EMIS.CO", {1.9600000000000003e-09}},
+    {"EMIS.SO2", {1.06e-09}},
+    {"EMIS.FORM", {1.02e-11}},
+    {"EMIS.MEOH", {5.920000000000001e-13}},
+    {"EMIS.ALD2", {4.25e-12}},
+    {"EMIS.PAR", {4.27e-10}},
+    {"EMIS.ETH", {4.62e-11}},
+    {"EMIS.OLE", {1.49e-11}},
+    {"EMIS.IOLE", {1.49e-11}},
+    {"EMIS.TOL", {1.53e-11}},
+    {"EMIS.XYL", {1.4e-11}},
+    {"EMIS.ISOP", {6.03e-12}},
+    {"PHOTO.NO2", {0.00477}},
+    {"PHOTO.O3->O1D", {2.26e-06}},
+    {"PHOTO.O3->O3P", {0.00025299999999999997}},
+    {"PHOTO.NO3->NO2", {0.11699999999999999}},
+    {"PHOTO.NO3->NO", {0.0144}},
+    {"PHOTO.HONO", {0.000918}},
+    {"PHOTO.H2O2", {2.59e-06}},
+    {"PHOTO.PNA", {1.89e-06}},
+    {"PHOTO.HNO3", {8.61e-08}},
+    {"PHOTO.NTR", {4.77e-07}},
+    {"PHOTO.ROOH", {1.81e-06}},
+    {"PHOTO.MEPX", {1.81e-06}},
+    {"PHOTO.FORM->HO2", {7.93e-06}},
+    {"PHOTO.FORM->CO", {2.2e-05}},
+    {"PHOTO.ALD2", {2.2e-06}},
+    {"PHOTO.PACD", {1.81e-06}},
+    {"PHOTO.ALDX", {2.2e-06}},
+    {"PHOTO.OPEN", {0.0006450000000000001}},
+    {"PHOTO.MGLY", {7.64e-05}},
+    {"PHOTO.ISPD", {1.98e-09}}
+  };
+
+  state.SetCustomRateParameters(custom_rate_constants);
+
+  double time_step = 150.0;  // s
+
+  auto result = solver.Solve(time_step, state);
+
+  EXPECT_EQ(result.state_, (micm::SolverState::Converged));
+}
+
+
diff --git a/test/examples/test_Chapman.cpp b/test/examples/test_chapman.cpp
similarity index 99%
rename from test/examples/test_Chapman.cpp
rename to test/examples/test_chapman.cpp
index 1a2a633f9..2f873f8dd 100644
--- a/test/examples/test_Chapman.cpp
+++ b/test/examples/test_chapman.cpp
@@ -38,7 +38,7 @@ int main(const int argc, const char* argv[])
   micm::SolverConfig solver_config;
 
   // Read and parse the configure files
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./examples/Chapman");
+  micm::ConfigParseStatus status = solver_config.ReadAndParse("./examples/configs/chapman");
 
   if (status != micm::ConfigParseStatus::Success)
   {
diff --git a/test/examples/test_robertson.cpp b/test/examples/test_robertson.cpp
new file mode 100644
index 000000000..91771c256
--- /dev/null
+++ b/test/examples/test_robertson.cpp
@@ -0,0 +1,60 @@
+// Copyright (C) 2023 National Center for Atmospheric Research,
+//
+// SPDX-License-Identifier: Apache-2.0
+//
+// Test of the TS1 example mechanism (MZ327_TS1.2_20230307 in the Chemistry Cafe)
+//
+// This only tests that a solver can be built for this mechanism and that it
+// can be run for a given set of initial conditions without solver errors.
+//
+// Comparisons with other chemistry solvers are included in
+// https://github.com/NCAR/MUSICA-Performance-Comparison
+
+#include <gtest/gtest.h>
+
+#include <micm/configure/solver_config.hpp>
+#include <micm/solver/rosenbrock.hpp>
+
+TEST(Examples, robertson)
+{
+  micm::SolverConfig config;
+  std::string config_path = "./examples/configs/robertson";
+  auto status = config.ReadAndParse(config_path);
+  EXPECT_EQ(status, micm::ConfigParseStatus::Success);
+  auto solver_params = config.GetSolverParams();
+  micm::RosenbrockSolver<> solver{ solver_params.system_,
+                                   solver_params.processes_,
+                                   micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+  micm::State state = solver.GetState();
+
+  const double temperature = 272.5;                             // K
+  const double pressure = 101253.3;                             // Pa
+  const double air_density = 1e6;                               // mol m-3
+
+  state.conditions_[0].temperature_ = temperature;
+  state.conditions_[0].pressure_ = pressure;
+  state.conditions_[0].air_density_ = air_density;
+
+  std::unordered_map<std::string, std::vector<double>> initial_concentrations = {
+    { "A", { 1.0} },       // mol m-3
+    { "B", { 0.0} },       // mol m-3
+    { "C", { 0.0} },       // mol m-3
+  };
+  state.SetConcentrations(initial_concentrations);
+
+  std::unordered_map<std::string, std::vector<double>> custom_rate_constants = {
+    {"PHOTO.r1", {0.04}},                    
+    {"PHOTO.r2", {3e7}},
+    {"PHOTO.r3", {1e4}}
+  };
+
+  state.SetCustomRateParameters(custom_rate_constants);
+
+  double time_step = 200.0;  // s
+
+  auto result = solver.Solve(time_step, state);
+
+  EXPECT_EQ(result.state_, (micm::SolverState::Converged));
+}
+
+
diff --git a/test/tutorial/configs/carbon_bond_5/config.json b/test/tutorial/configs/carbon_bond_5/config.json
deleted file mode 100644
index 03622f157..000000000
--- a/test/tutorial/configs/carbon_bond_5/config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"camp-files": ["species.json", "reactions.json"]}
\ No newline at end of file
diff --git a/test/tutorial/configs/carbon_bond_5/reactions.json b/test/tutorial/configs/carbon_bond_5/reactions.json
deleted file mode 100644
index 617f98810..000000000
--- a/test/tutorial/configs/carbon_bond_5/reactions.json
+++ /dev/null
@@ -1 +0,0 @@
-{"camp-data": [{"type": "MECHANISM", "name": "music box interactive configuration", "reactions": [{"type": "PHOTOLYSIS", "scaling_factor": 1, "MUSICA name": "NO2", "reactants": {"NO2": {}}, "products": {"NO": {"yield": 1}, "O": {"yield": 1}, "irr__0": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 6e-34, "Ea": 0, "B": -2.4, "D": 300, "E": 0, "reactants": {"O": {"qty": 1}, "O2": {"qty": 1}, "M": {"qty": 1}}, "products": {"O3": {"yield": 1}, "M": {"yield": 1}, "irr__1": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 3e-12, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"O3": {"qty": 1}, "NO": {"qty": 1}}, "products": {"NO2": {"yield": 1}, "irr__2": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 5.6e-12, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"O": {"qty": 1}, "NO2": {"qty": 1}}, "products": {"NO": {"yield": 1}, "irr__3": {"yield": 1}}}, {"type": "TROE", "k0_A": 2.5e-31, "k0_B": -1.8, "k0_C": 0, "kinf_A": 2.2e-11, "kinf_B": -0.7, "kinf_C": 0, "Fc": 0.6, "N": 1, "reactants": {"O": {"qty": 1}, "NO2": {"qty": 1}}, "products": {"NO3": {"yield": 1}, "irr__4": {"yield": 1}}}, {"type": "TROE", "k0_A": 9e-32, "k0_B": -1.5, "k0_C": 0, "kinf_A": 3e-11, "kinf_B": 0, "kinf_C": 0, "Fc": 0.6, "N": 1, "reactants": {"O": {"qty": 1}, "NO": {"qty": 1}}, "products": {"NO2": {"yield": 1}, "irr__5": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 1.2e-13, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"NO2": {"qty": 1}, "O3": {"qty": 1}}, "products": {"NO3": {"yield": 1}, "irr__6": {"yield": 1}}}, {"type": "PHOTOLYSIS", "scaling_factor": 1, "MUSICA name": "O3->O3P", "reactants": {"O3": {}}, "products": {"O": {"yield": 1}, "irr__7": {"yield": 1}}}, {"type": "PHOTOLYSIS", "scaling_factor": 1, "MUSICA name": "O3->O1D", "reactants": {"O3": {}}, "products": {"O1D": {"yield": 1}, "irr__8": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 2.1e-11, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"O1D": {"qty": 1}, "M": {"qty": 1}}, "products": {"O": {"yield": 1}, "M": {"yield": 1}, "irr__9": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 2.2e-10, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"O1D": {"qty": 1}, "H2O": {"qty": 1}}, "products": {"OH": {"yield": 2}, "irr__10": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 1.7e-12, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"O3": {"qty": 1}, "OH": {"qty": 1}}, "products": {"HO2": {"yield": 1}, "irr__11": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 1e-14, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"O3": {"qty": 1}, "HO2": {"qty": 1}}, "products": {"OH": {"yield": 1}, "irr__12": {"yield": 1}}}, {"type": "PHOTOLYSIS", "scaling_factor": 1, "MUSICA name": "NO3->NO2", "reactants": {"NO3": {}}, "products": {"NO2": {"yield": 1}, "O": {"yield": 1}, "irr__13": {"yield": 1}}}, {"type": "PHOTOLYSIS", "scaling_factor": 1, "MUSICA name": "NO3->NO", "reactants": {"NO3": {}}, "products": {"NO": {"yield": 1}, "irr__14": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 1.5e-11, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"NO3": {"qty": 1}, "NO": {"qty": 1}}, "products": {"NO2": {"yield": 2}, "irr__15": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 4.5e-14, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"NO3": {"qty": 1}, "NO2": {"qty": 1}}, "products": {"NO": {"yield": 1}, "NO2": {"yield": 1}, "irr__16": {"yield": 1}}}, {"type": "TROE", "k0_A": 2e-30, "k0_B": -4.4, "k0_C": 0, "kinf_A": 1.4e-12, "kinf_B": -0.7, "kinf_C": 0, "Fc": 0.6, "N": 1, "reactants": {"NO3": {"qty": 1}, "NO2": {"qty": 1}}, "products": {"N2O5": {"yield": 1}, "irr__17": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 2.5e-22, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"N2O5": {"qty": 1}, "H2O": {"qty": 1}}, "products": {"HNO3": {"yield": 2}, "irr__18": {"yield": 1}}}, {"type": "ARRHENIUS", "A": 1.8e-39, "Ea": 0, "B": 0, "D": 300, "E": 0, "reactants": {"N2O5": {"qty": 1}, "H2O": {"qty": 2}}, "products": {"HNO3": {"yield": 2}, "irr__19": {"yield": 1}}}, {"type": "TROE", "k0_A": 0.001, "k0_B": -3.5, "k0_C": -11000, "kinf_A": 970000000000000, "kinf_B": 0.1, 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"MUSICA name": "IOLE", "species": "IOLE", "products": {"irr__200": {"yield": 1}}}, {"type": "EMISSION", "scaling factor": 1, "MUSICA name": "TOL", "species": "TOL", "products": {"irr__201": {"yield": 1}}}, {"type": "EMISSION", "scaling factor": 1, "MUSICA name": "XYL", "species": "XYL", "products": {"irr__202": {"yield": 1}}}, {"type": "EMISSION", "scaling factor": 1, "MUSICA name": "ISOP", "species": "ISOP", "products": {"irr__203": {"yield": 1}}}]}]}
\ No newline at end of file
diff --git a/test/tutorial/configs/carbon_bond_5/species.json b/test/tutorial/configs/carbon_bond_5/species.json
deleted file mode 100644
index 8a101b2be..000000000
--- a/test/tutorial/configs/carbon_bond_5/species.json
+++ /dev/null
@@ -1 +0,0 @@
-{"camp-data": [{"name": "AACD", "type": "CHEM_SPEC"}, {"name": "ALD2", "type": "CHEM_SPEC"}, {"name": "ALDX", "type": "CHEM_SPEC"}, {"name": "BENZENE", "type": "CHEM_SPEC"}, {"name": "BENZRO2", "type": "CHEM_SPEC"}, {"name": "C2O3", "type": "CHEM_SPEC"}, {"name": "CH4", "type": "CHEM_SPEC"}, {"name": "CL", "type": "CHEM_SPEC"}, {"name": "CL2", "type": "CHEM_SPEC"}, {"name": "CLO", "type": "CHEM_SPEC"}, {"name": "CO", "type": "CHEM_SPEC"}, {"name": "CRES", "type": "CHEM_SPEC"}, {"name": "CRO", "type": "CHEM_SPEC"}, {"name": "CXO3", "type": "CHEM_SPEC"}, {"name": "ETH", "type": "CHEM_SPEC"}, {"name": "ETHA", "type": "CHEM_SPEC"}, {"name": "ETOH", "type": "CHEM_SPEC"}, {"name": "FACD", "type": "CHEM_SPEC"}, {"name": "FMCL", "type": "CHEM_SPEC"}, {"name": "FORM", "type": "CHEM_SPEC"}, {"name": "H2", "type": "CHEM_SPEC"}, {"name": "H2O", "type": "CHEM_SPEC"}, {"name": "H2O2", "type": "CHEM_SPEC"}, {"name": "HCL", "type": "CHEM_SPEC"}, {"name": "HCO3", "type": "CHEM_SPEC"}, {"name": "HNO3", 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"CHEM_SPEC"}, {"name": "PAR", "type": "CHEM_SPEC"}, {"name": "PNA", "type": "CHEM_SPEC"}, {"name": "ROOH", "type": "CHEM_SPEC"}, {"name": "ROR", "type": "CHEM_SPEC"}, {"name": "SESQ", "type": "CHEM_SPEC"}, {"name": "SO2", "type": "CHEM_SPEC"}, {"name": "SULF", "type": "CHEM_SPEC"}, {"name": "TERP", "type": "CHEM_SPEC"}, {"name": "TO2", "type": "CHEM_SPEC"}, {"name": "TOL", "type": "CHEM_SPEC"}, {"name": "TOLRO2", "type": "CHEM_SPEC"}, {"name": "XO2", "type": "CHEM_SPEC"}, {"name": "XO2N", "type": "CHEM_SPEC"}, {"name": "XYL", "type": "CHEM_SPEC"}, {"name": "XYLRO2", "type": "CHEM_SPEC"}, {"name": "irr__0", "type": "CHEM_SPEC"}, {"name": "irr__1", "type": "CHEM_SPEC"}, {"name": "irr__2", "type": "CHEM_SPEC"}, {"name": "irr__3", "type": "CHEM_SPEC"}, {"name": "irr__4", "type": "CHEM_SPEC"}, {"name": "irr__5", "type": "CHEM_SPEC"}, {"name": "irr__6", "type": "CHEM_SPEC"}, {"name": "irr__7", "type": "CHEM_SPEC"}, {"name": "irr__8", "type": "CHEM_SPEC"}, {"name": "irr__9", "type": "CHEM_SPEC"}, {"name": "irr__10", "type": "CHEM_SPEC"}, {"name": "irr__11", "type": "CHEM_SPEC"}, {"name": "irr__12", "type": "CHEM_SPEC"}, {"name": "irr__13", "type": "CHEM_SPEC"}, {"name": "irr__14", "type": "CHEM_SPEC"}, {"name": "irr__15", "type": "CHEM_SPEC"}, {"name": "irr__16", "type": "CHEM_SPEC"}, {"name": "irr__17", "type": "CHEM_SPEC"}, {"name": "irr__18", "type": "CHEM_SPEC"}, {"name": "irr__19", "type": "CHEM_SPEC"}, {"name": "irr__20", "type": "CHEM_SPEC"}, {"name": "irr__21", "type": "CHEM_SPEC"}, {"name": "irr__22", "type": "CHEM_SPEC"}, {"name": "irr__23", "type": "CHEM_SPEC"}, {"name": "irr__24", "type": "CHEM_SPEC"}, {"name": "irr__25", "type": "CHEM_SPEC"}, {"name": "irr__26", "type": "CHEM_SPEC"}, {"name": "irr__27", "type": "CHEM_SPEC"}, {"name": "irr__28", "type": "CHEM_SPEC"}, {"name": "irr__29", "type": "CHEM_SPEC"}, {"name": "irr__30", "type": "CHEM_SPEC"}, {"name": "irr__31", "type": "CHEM_SPEC"}, {"name": "irr__32", "type": "CHEM_SPEC"}, {"name": "irr__33", 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"irr__57", "type": "CHEM_SPEC"}, {"name": "irr__58", "type": "CHEM_SPEC"}, {"name": "irr__59", "type": "CHEM_SPEC"}, {"name": "irr__60", "type": "CHEM_SPEC"}, {"name": "irr__61", "type": "CHEM_SPEC"}, {"name": "irr__62", "type": "CHEM_SPEC"}, {"name": "irr__63", "type": "CHEM_SPEC"}, {"name": "irr__64", "type": "CHEM_SPEC"}, {"name": "irr__65", "type": "CHEM_SPEC"}, {"name": "irr__66", "type": "CHEM_SPEC"}, {"name": "irr__67", "type": "CHEM_SPEC"}, {"name": "irr__68", "type": "CHEM_SPEC"}, {"name": "irr__69", "type": "CHEM_SPEC"}, {"name": "irr__70", "type": "CHEM_SPEC"}, {"name": "irr__71", "type": "CHEM_SPEC"}, {"name": "irr__72", "type": "CHEM_SPEC"}, {"name": "irr__73", "type": "CHEM_SPEC"}, {"name": "irr__74", "type": "CHEM_SPEC"}, {"name": "irr__75", "type": "CHEM_SPEC"}, {"name": "irr__76", "type": "CHEM_SPEC"}, {"name": "irr__77", "type": "CHEM_SPEC"}, {"name": "irr__78", "type": "CHEM_SPEC"}, {"name": "irr__79", "type": "CHEM_SPEC"}, {"name": "irr__80", "type": "CHEM_SPEC"}, {"name": "irr__81", "type": "CHEM_SPEC"}, {"name": "irr__82", "type": "CHEM_SPEC"}, {"name": "irr__83", "type": "CHEM_SPEC"}, {"name": "irr__84", "type": "CHEM_SPEC"}, {"name": "irr__85", "type": "CHEM_SPEC"}, {"name": "irr__86", "type": "CHEM_SPEC"}, {"name": "irr__87", "type": "CHEM_SPEC"}, {"name": "irr__88", "type": "CHEM_SPEC"}, {"name": "irr__89", "type": "CHEM_SPEC"}, {"name": "irr__90", "type": "CHEM_SPEC"}, {"name": "irr__91", "type": "CHEM_SPEC"}, {"name": "irr__92", "type": "CHEM_SPEC"}, {"name": "irr__93", "type": "CHEM_SPEC"}, {"name": "irr__94", "type": "CHEM_SPEC"}, {"name": "irr__95", "type": "CHEM_SPEC"}, {"name": "irr__96", "type": "CHEM_SPEC"}, {"name": "irr__97", "type": "CHEM_SPEC"}, {"name": "irr__98", "type": "CHEM_SPEC"}, {"name": "irr__99", "type": "CHEM_SPEC"}, {"name": "irr__100", "type": "CHEM_SPEC"}, {"name": "irr__101", "type": "CHEM_SPEC"}, {"name": "irr__102", "type": "CHEM_SPEC"}, {"name": "irr__103", "type": "CHEM_SPEC"}, {"name": "irr__104", "type": "CHEM_SPEC"}, {"name": "irr__105", "type": "CHEM_SPEC"}, {"name": "irr__106", "type": "CHEM_SPEC"}, {"name": "irr__107", "type": "CHEM_SPEC"}, {"name": "irr__108", "type": "CHEM_SPEC"}, {"name": "irr__109", "type": "CHEM_SPEC"}, {"name": "irr__110", "type": "CHEM_SPEC"}, {"name": "irr__111", "type": "CHEM_SPEC"}, {"name": "irr__112", "type": "CHEM_SPEC"}, {"name": "irr__113", "type": "CHEM_SPEC"}, {"name": "irr__114", "type": "CHEM_SPEC"}, {"name": "irr__115", "type": "CHEM_SPEC"}, {"name": "irr__116", "type": "CHEM_SPEC"}, {"name": "irr__117", "type": "CHEM_SPEC"}, {"name": "irr__118", "type": "CHEM_SPEC"}, {"name": "irr__119", "type": "CHEM_SPEC"}, {"name": "irr__120", "type": "CHEM_SPEC"}, {"name": "irr__121", "type": "CHEM_SPEC"}, {"name": "irr__122", "type": "CHEM_SPEC"}, {"name": "irr__123", "type": "CHEM_SPEC"}, {"name": "irr__124", "type": "CHEM_SPEC"}, {"name": "irr__125", "type": "CHEM_SPEC"}, {"name": "irr__126", "type": "CHEM_SPEC"}, {"name": "irr__127", "type": "CHEM_SPEC"}, {"name": "irr__128", "type": "CHEM_SPEC"}, {"name": "irr__129", "type": "CHEM_SPEC"}, {"name": "irr__130", "type": "CHEM_SPEC"}, {"name": "irr__131", "type": "CHEM_SPEC"}, {"name": "irr__132", "type": "CHEM_SPEC"}, {"name": "irr__133", "type": "CHEM_SPEC"}, {"name": "irr__134", "type": "CHEM_SPEC"}, {"name": "irr__135", "type": "CHEM_SPEC"}, {"name": "irr__136", "type": "CHEM_SPEC"}, {"name": "irr__137", "type": "CHEM_SPEC"}, {"name": "irr__138", "type": "CHEM_SPEC"}, {"name": "irr__139", "type": "CHEM_SPEC"}, {"name": "irr__140", "type": "CHEM_SPEC"}, {"name": "irr__141", "type": "CHEM_SPEC"}, {"name": "irr__142", "type": "CHEM_SPEC"}, {"name": "irr__143", "type": "CHEM_SPEC"}, {"name": "irr__144", "type": "CHEM_SPEC"}, {"name": "irr__145", "type": "CHEM_SPEC"}, {"name": "irr__146", "type": "CHEM_SPEC"}, {"name": "irr__147", "type": "CHEM_SPEC"}, {"name": "irr__148", "type": "CHEM_SPEC"}, {"name": "irr__149", "type": "CHEM_SPEC"}, {"name": "irr__150", "type": "CHEM_SPEC"}, {"name": "irr__151", "type": "CHEM_SPEC"}, {"name": "irr__152", "type": "CHEM_SPEC"}, {"name": "irr__153", "type": "CHEM_SPEC"}, {"name": "irr__154", "type": "CHEM_SPEC"}, {"name": "irr__155", "type": "CHEM_SPEC"}, {"name": "irr__156", "type": "CHEM_SPEC"}, {"name": "irr__157", "type": "CHEM_SPEC"}, {"name": "irr__158", "type": "CHEM_SPEC"}, {"name": "irr__159", "type": "CHEM_SPEC"}, {"name": "irr__160", "type": "CHEM_SPEC"}, {"name": "irr__161", "type": "CHEM_SPEC"}, {"name": "irr__162", "type": "CHEM_SPEC"}, {"name": "irr__163", "type": "CHEM_SPEC"}, {"name": "irr__164", "type": "CHEM_SPEC"}, {"name": "irr__165", "type": "CHEM_SPEC"}, {"name": "irr__166", "type": "CHEM_SPEC"}, {"name": "irr__167", "type": "CHEM_SPEC"}, {"name": "irr__168", "type": "CHEM_SPEC"}, {"name": "irr__169", "type": "CHEM_SPEC"}, {"name": "irr__170", "type": "CHEM_SPEC"}, {"name": "irr__171", "type": "CHEM_SPEC"}, {"name": "irr__172", "type": "CHEM_SPEC"}, {"name": "irr__173", "type": "CHEM_SPEC"}, {"name": "irr__174", "type": "CHEM_SPEC"}, {"name": "irr__175", "type": "CHEM_SPEC"}, {"name": "irr__176", "type": "CHEM_SPEC"}, {"name": "irr__177", "type": "CHEM_SPEC"}, {"name": "irr__178", "type": "CHEM_SPEC"}, {"name": "irr__179", "type": "CHEM_SPEC"}, {"name": "irr__180", "type": "CHEM_SPEC"}, {"name": "irr__181", "type": "CHEM_SPEC"}, {"name": "irr__182", "type": "CHEM_SPEC"}, {"name": "irr__183", "type": "CHEM_SPEC"}, {"name": "irr__184", "type": "CHEM_SPEC"}, {"name": "irr__185", "type": "CHEM_SPEC"}, {"name": "irr__186", "type": "CHEM_SPEC"}, {"name": "irr__187", "type": "CHEM_SPEC"}, {"name": "irr__188", "type": "CHEM_SPEC"}, {"name": "irr__189", "type": "CHEM_SPEC"}, {"name": "irr__190", "type": "CHEM_SPEC"}, {"name": "irr__191", "type": "CHEM_SPEC"}, {"name": "irr__192", "type": "CHEM_SPEC"}, {"name": "irr__193", "type": "CHEM_SPEC"}, {"name": "irr__194", "type": "CHEM_SPEC"}, {"name": "irr__195", "type": "CHEM_SPEC"}, {"name": "irr__196", "type": "CHEM_SPEC"}, {"name": "irr__197", "type": "CHEM_SPEC"}, {"name": "irr__198", "type": "CHEM_SPEC"}, {"name": "irr__199", "type": "CHEM_SPEC"}, {"name": "irr__200", "type": "CHEM_SPEC"}, {"name": "irr__201", "type": "CHEM_SPEC"}, {"name": "irr__202", "type": "CHEM_SPEC"}, {"name": "irr__203", "type": "CHEM_SPEC"}]}
\ No newline at end of file

From abeed9640d7000bade074d48f41f3b4432d902d6 Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Tue, 21 Nov 2023 09:37:12 -0800
Subject: [PATCH 301/318] Auto-format code changes (#372)

Auto-format code using Clang-Format

Co-authored-by: GitHub Actions <actions@github.com>
---
 include/micm/solver/state.hpp        |  4 +-
 test/examples/test_carbon_bond_5.cpp | 76 ++++++++++++++--------------
 test/examples/test_robertson.cpp     | 22 ++++----
 3 files changed, 48 insertions(+), 54 deletions(-)

diff --git a/include/micm/solver/state.hpp b/include/micm/solver/state.hpp
index fa958d05b..06a2e00e7 100644
--- a/include/micm/solver/state.hpp
+++ b/include/micm/solver/state.hpp
@@ -2,6 +2,7 @@
 
 #include <algorithm>
 #include <cstddef>
+#include <iomanip>
 #include <map>
 #include <micm/solver/lu_decomposition.hpp>
 #include <micm/system/conditions.hpp>
@@ -13,7 +14,6 @@
 #include <string>
 #include <unordered_map>
 #include <vector>
-#include <iomanip>
 
 namespace micm
 {
@@ -80,7 +80,7 @@ namespace micm
     /// @brief Print a header of species to display concentrations with respect to time
     void PrintHeader();
 
-    /// @brief Print state (concentrations) at the given time 
+    /// @brief Print state (concentrations) at the given time
     /// @param time solving time
     void PrintState(double time);
   };
diff --git a/test/examples/test_carbon_bond_5.cpp b/test/examples/test_carbon_bond_5.cpp
index 396fd4fe2..1d7a76999 100644
--- a/test/examples/test_carbon_bond_5.cpp
+++ b/test/examples/test_carbon_bond_5.cpp
@@ -27,49 +27,49 @@ TEST(Examples, carbon_bond_5)
                                    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
   micm::State state = solver.GetState();
 
-  const double temperature = 287.45;                             // K
-  const double pressure = 101319.9;                              // Pa
-  const double air_density = 1e6;                                // mol m-3
+  const double temperature = 287.45;  // K
+  const double pressure = 101319.9;   // Pa
+  const double air_density = 1e6;     // mol m-3
 
   state.conditions_[0].temperature_ = temperature;
   state.conditions_[0].pressure_ = pressure;
   state.conditions_[0].air_density_ = air_density;
 
   std::unordered_map<std::string, std::vector<double>> custom_rate_constants = {
-    {"EMIS.NO", {1.44e-10}},                    
-    {"EMIS.NO2", {7.56e-12}},
-    {"EMIS.CO", {1.9600000000000003e-09}},
-    {"EMIS.SO2", {1.06e-09}},
-    {"EMIS.FORM", {1.02e-11}},
-    {"EMIS.MEOH", {5.920000000000001e-13}},
-    {"EMIS.ALD2", {4.25e-12}},
-    {"EMIS.PAR", {4.27e-10}},
-    {"EMIS.ETH", {4.62e-11}},
-    {"EMIS.OLE", {1.49e-11}},
-    {"EMIS.IOLE", {1.49e-11}},
-    {"EMIS.TOL", {1.53e-11}},
-    {"EMIS.XYL", {1.4e-11}},
-    {"EMIS.ISOP", {6.03e-12}},
-    {"PHOTO.NO2", {0.00477}},
-    {"PHOTO.O3->O1D", {2.26e-06}},
-    {"PHOTO.O3->O3P", {0.00025299999999999997}},
-    {"PHOTO.NO3->NO2", {0.11699999999999999}},
-    {"PHOTO.NO3->NO", {0.0144}},
-    {"PHOTO.HONO", {0.000918}},
-    {"PHOTO.H2O2", {2.59e-06}},
-    {"PHOTO.PNA", {1.89e-06}},
-    {"PHOTO.HNO3", {8.61e-08}},
-    {"PHOTO.NTR", {4.77e-07}},
-    {"PHOTO.ROOH", {1.81e-06}},
-    {"PHOTO.MEPX", {1.81e-06}},
-    {"PHOTO.FORM->HO2", {7.93e-06}},
-    {"PHOTO.FORM->CO", {2.2e-05}},
-    {"PHOTO.ALD2", {2.2e-06}},
-    {"PHOTO.PACD", {1.81e-06}},
-    {"PHOTO.ALDX", {2.2e-06}},
-    {"PHOTO.OPEN", {0.0006450000000000001}},
-    {"PHOTO.MGLY", {7.64e-05}},
-    {"PHOTO.ISPD", {1.98e-09}}
+    { "EMIS.NO", { 1.44e-10 } },
+    { "EMIS.NO2", { 7.56e-12 } },
+    { "EMIS.CO", { 1.9600000000000003e-09 } },
+    { "EMIS.SO2", { 1.06e-09 } },
+    { "EMIS.FORM", { 1.02e-11 } },
+    { "EMIS.MEOH", { 5.920000000000001e-13 } },
+    { "EMIS.ALD2", { 4.25e-12 } },
+    { "EMIS.PAR", { 4.27e-10 } },
+    { "EMIS.ETH", { 4.62e-11 } },
+    { "EMIS.OLE", { 1.49e-11 } },
+    { "EMIS.IOLE", { 1.49e-11 } },
+    { "EMIS.TOL", { 1.53e-11 } },
+    { "EMIS.XYL", { 1.4e-11 } },
+    { "EMIS.ISOP", { 6.03e-12 } },
+    { "PHOTO.NO2", { 0.00477 } },
+    { "PHOTO.O3->O1D", { 2.26e-06 } },
+    { "PHOTO.O3->O3P", { 0.00025299999999999997 } },
+    { "PHOTO.NO3->NO2", { 0.11699999999999999 } },
+    { "PHOTO.NO3->NO", { 0.0144 } },
+    { "PHOTO.HONO", { 0.000918 } },
+    { "PHOTO.H2O2", { 2.59e-06 } },
+    { "PHOTO.PNA", { 1.89e-06 } },
+    { "PHOTO.HNO3", { 8.61e-08 } },
+    { "PHOTO.NTR", { 4.77e-07 } },
+    { "PHOTO.ROOH", { 1.81e-06 } },
+    { "PHOTO.MEPX", { 1.81e-06 } },
+    { "PHOTO.FORM->HO2", { 7.93e-06 } },
+    { "PHOTO.FORM->CO", { 2.2e-05 } },
+    { "PHOTO.ALD2", { 2.2e-06 } },
+    { "PHOTO.PACD", { 1.81e-06 } },
+    { "PHOTO.ALDX", { 2.2e-06 } },
+    { "PHOTO.OPEN", { 0.0006450000000000001 } },
+    { "PHOTO.MGLY", { 7.64e-05 } },
+    { "PHOTO.ISPD", { 1.98e-09 } }
   };
 
   state.SetCustomRateParameters(custom_rate_constants);
@@ -80,5 +80,3 @@ TEST(Examples, carbon_bond_5)
 
   EXPECT_EQ(result.state_, (micm::SolverState::Converged));
 }
-
-
diff --git a/test/examples/test_robertson.cpp b/test/examples/test_robertson.cpp
index 91771c256..7caf63d0c 100644
--- a/test/examples/test_robertson.cpp
+++ b/test/examples/test_robertson.cpp
@@ -27,26 +27,24 @@ TEST(Examples, robertson)
                                    micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
   micm::State state = solver.GetState();
 
-  const double temperature = 272.5;                             // K
-  const double pressure = 101253.3;                             // Pa
-  const double air_density = 1e6;                               // mol m-3
+  const double temperature = 272.5;  // K
+  const double pressure = 101253.3;  // Pa
+  const double air_density = 1e6;    // mol m-3
 
   state.conditions_[0].temperature_ = temperature;
   state.conditions_[0].pressure_ = pressure;
   state.conditions_[0].air_density_ = air_density;
 
   std::unordered_map<std::string, std::vector<double>> initial_concentrations = {
-    { "A", { 1.0} },       // mol m-3
-    { "B", { 0.0} },       // mol m-3
-    { "C", { 0.0} },       // mol m-3
+    { "A", { 1.0 } },  // mol m-3
+    { "B", { 0.0 } },  // mol m-3
+    { "C", { 0.0 } },  // mol m-3
   };
   state.SetConcentrations(initial_concentrations);
 
-  std::unordered_map<std::string, std::vector<double>> custom_rate_constants = {
-    {"PHOTO.r1", {0.04}},                    
-    {"PHOTO.r2", {3e7}},
-    {"PHOTO.r3", {1e4}}
-  };
+  std::unordered_map<std::string, std::vector<double>> custom_rate_constants = { { "PHOTO.r1", { 0.04 } },
+                                                                                 { "PHOTO.r2", { 3e7 } },
+                                                                                 { "PHOTO.r3", { 1e4 } } };
 
   state.SetCustomRateParameters(custom_rate_constants);
 
@@ -56,5 +54,3 @@ TEST(Examples, robertson)
 
   EXPECT_EQ(result.state_, (micm::SolverState::Converged));
 }
-
-

From 5eb45434c67b19a5c91e85f7ad669aaeac8380bc Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Wed, 22 Nov 2023 17:10:34 -0800
Subject: [PATCH 302/318] Update Boltzmann constant (#375)

Update constants.hpp

Adjust the Boltzmann constant to match what's used in the ChemistryCafe
---
 include/micm/util/constants.hpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/include/micm/util/constants.hpp b/include/micm/util/constants.hpp
index ee9ddb684..dc03d040f 100644
--- a/include/micm/util/constants.hpp
+++ b/include/micm/util/constants.hpp
@@ -3,6 +3,6 @@
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
 
-static constexpr double BOLTZMANN_CONSTANT = 1.3806505e-23;                     // J K^{-1}
+static constexpr double BOLTZMANN_CONSTANT = 1.380649e-23;                     // J K^{-1}
 static constexpr double AVOGADRO_CONSTANT = 6.02214076e23;                      // # mol^{-1}
-static constexpr double GAS_CONSTANT = BOLTZMANN_CONSTANT * AVOGADRO_CONSTANT;  // J K^{-1} mol^{-1}
\ No newline at end of file
+static constexpr double GAS_CONSTANT = BOLTZMANN_CONSTANT * AVOGADRO_CONSTANT;  // J K^{-1} mol^{-1}

From 7631529ed613272aa73a5d13c95e78cde999a835 Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Wed, 22 Nov 2023 17:11:59 -0800
Subject: [PATCH 303/318] Auto-format code changes (#376)

Auto-format code using Clang-Format

Co-authored-by: GitHub Actions <actions@github.com>
---
 include/micm/util/constants.hpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/micm/util/constants.hpp b/include/micm/util/constants.hpp
index dc03d040f..e8315b64a 100644
--- a/include/micm/util/constants.hpp
+++ b/include/micm/util/constants.hpp
@@ -3,6 +3,6 @@
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
 
-static constexpr double BOLTZMANN_CONSTANT = 1.380649e-23;                     // J K^{-1}
+static constexpr double BOLTZMANN_CONSTANT = 1.380649e-23;                      // J K^{-1}
 static constexpr double AVOGADRO_CONSTANT = 6.02214076e23;                      // # mol^{-1}
 static constexpr double GAS_CONSTANT = BOLTZMANN_CONSTANT * AVOGADRO_CONSTANT;  // J K^{-1} mol^{-1}

From 38167053c55c0160d1ec7ceb3abfda2a3fcb344f Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Wed, 22 Nov 2023 17:19:51 -0800
Subject: [PATCH 304/318] Update CMakeLists.txt

Only copy examples folder when MICM is top-level project
---
 CMakeLists.txt | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 01e7c665e..71d4faffa 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -118,7 +118,7 @@ endif()
 ################################################################################
 # Copy configuration data
 
-if(ENABLE_TESTS OR ENABLE_EXAMPLES)
-add_custom_target(copy_example_configs ALL ${CMAKE_COMMAND} -E copy_directory
-  ${CMAKE_SOURCE_DIR}/examples/configs ${CMAKE_BINARY_DIR}/examples/configs)
-endif()
\ No newline at end of file
+if(PROJECT_IS_TOP_LEVEL AND (ENABLE_TESTS OR ENABLE_EXAMPLES))
+  add_custom_target(copy_example_configs ALL ${CMAKE_COMMAND} -E copy_directory
+    ${CMAKE_SOURCE_DIR}/examples/configs ${CMAKE_BINARY_DIR}/examples/configs)
+endif()

From e3ab08fa888cb597d17ff1ff6e6313236b5bee13 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Fri, 1 Dec 2023 10:47:11 -0600
Subject: [PATCH 305/318] 374 tutorial for each example in the examples folder
 (#378)

* adding initial conditions for cb5, correctly outputting information

* initial conditions

* removing examples tests
---
 .github/workflows/clang_format.yml            |   2 +-
 examples/configs/TS1/initial_conditions.csv   | 500 ++++++++++++------
 examples/configs/TS1/reactions.json           | 206 ++++----
 .../carbon_bond_5/initial_conditions.csv      | 387 ++++++++++++--
 examples/configs/carbon_bond_5/species.json   | 273 +++++++++-
 examples/example.cpp                          |   6 +-
 include/micm/solver/state.hpp                 |   2 +-
 include/micm/solver/state.inl                 |   6 +-
 test/CMakeLists.txt                           |   3 -
 test/examples/CMakeLists.txt                  |   7 -
 test/examples/test_TS1.cpp                    | 216 --------
 test/examples/test_carbon_bond_5.cpp          |  82 ---
 test/examples/test_chapman.cpp                | 138 -----
 test/examples/test_robertson.cpp              |  56 --
 14 files changed, 1071 insertions(+), 813 deletions(-)
 delete mode 100644 test/examples/CMakeLists.txt
 delete mode 100644 test/examples/test_TS1.cpp
 delete mode 100644 test/examples/test_carbon_bond_5.cpp
 delete mode 100644 test/examples/test_chapman.cpp
 delete mode 100644 test/examples/test_robertson.cpp

diff --git a/.github/workflows/clang_format.yml b/.github/workflows/clang_format.yml
index 6c2f804ef..bc75fa61d 100644
--- a/.github/workflows/clang_format.yml
+++ b/.github/workflows/clang_format.yml
@@ -24,7 +24,7 @@ jobs:
         run: |
           find include -type f \( -name '*.hpp' -o -name '*.h' \) -exec clang-format -i --style=file {} +
           find src -type f \( -name '*.cu' -o -name '*.hpp' -o -name '*.h' -o -name '*.cpp' \) -exec clang-format -i --style=file {} +
-          find test -type f \( -name '*.hpp' -o -name '*.h' -o -name '*.cpp' \) -exec clang-format -i --style=file {} +
+          find test -not -path "./test/tutorial/*" -type f \( -name '*.hpp' -o -name '*.h' -o -name '*.cpp' \) -exec clang-format -i --style=file {} +
 
       - name: Check for changes
         id: check-changes
diff --git a/examples/configs/TS1/initial_conditions.csv b/examples/configs/TS1/initial_conditions.csv
index 4c0b92bff..274fee21f 100644
--- a/examples/configs/TS1/initial_conditions.csv
+++ b/examples/configs/TS1/initial_conditions.csv
@@ -1,163 +1,341 @@
-CONC.CH4,7.63078e-05
-CONC.CL2,4.23932e-08
-CONC.CO,4.23932e-08
-CONC.CO2,0.0163214
-CONC.DMS,4.23932e-08
-CONC.H2O,0.0423932
-CONC.H2O2,4.23932e-08
-CONC.HNO3,4.23932e-08
-CONC.ISOP,4.23932e-08
-CONC.M,42.3932
-CONC.N2,33.0667
-CONC.NH3,4.23932e-08
-CONC.NO,4.23932e-08
-CONC.NO2,4.23932e-08
-CONC.O2,8.90257
-CONC.O3,2.11966e-06
-CONC.OH,4.23932e-11
-CONC.SO2,4.23932e-08
+CONC.O2,8.90261411
+CONC.N2,33.1007671
+CONC.ALKNIT,8.72E-10
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-USER.het16,1e-08
-USER.het17,1e-08
-USER.het2,1e-08
-USER.het3,1e-08
-USER.het4,1e-08
-USER.het5,1e-08
-USER.het6,1e-08
-USER.het7,1e-08
-USER.het8,1e-08
-USER.het9,1e-08
-USER.k_co_oh_jpl19,1e-08
\ No newline at end of file
+ENV.air_density,42.3934005
+ENV.time_step,60.0
\ No newline at end of file
diff --git a/examples/configs/TS1/reactions.json b/examples/configs/TS1/reactions.json
index fb2bc1c43..6ca324c69 100644
--- a/examples/configs/TS1/reactions.json
+++ b/examples/configs/TS1/reactions.json
@@ -13,7 +13,7 @@
           "type": "TROE",
           "k0_A": 5.5e-30,
           "kinf_A": 8.3e-13,
-          "N": -2,
+          "kinf_B": 2,
           "reactants": {
             "C2H2": { },
             "OH": { }
@@ -57,7 +57,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jterpnit->,jch3ooh",
+          "MUSICA name": "jterpnit",
           "reactants": {
             "TERPNIT": { }
           },
@@ -113,7 +113,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jo2_b=userdefined,",
+          "MUSICA name": "jo2_b",
           "reactants": {
             "O2": { }
           },
@@ -160,7 +160,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jxylenooh->,jch3ooh",
+          "MUSICA name": "jxylenooh",
           "reactants": {
             "XYLENOOH": { }
           },
@@ -220,12 +220,12 @@
         },
         {
           "type": "TROE",
-          "k0_A": 1.07767,
-          "k0_B": -5.6,
+          "k0_A": 0.81103,
+          "k0_B": -4.1,
           "k0_C": -14000,
-          "kinf_A": 1.03323e+17,
+          "kinf_A": 1.05545e17,
           "kinf_C": -14000,
-          "N": 1.5,
+          "kinf_B": -1.6,
           "reactants": {
             "PAN": { }
           },
@@ -315,7 +315,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jterp2ooh->,jch3ooh",
+          "MUSICA name": "jterp2ooh",
           "reactants": {
             "TERP2OOH": { }
           },
@@ -441,7 +441,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jbigald4->,.006*jno2",
+          "MUSICA name": "jbigald4",
           "reactants": {
             "BIGALD4": { }
           },
@@ -491,16 +491,18 @@
           }
         },
         {
-          "type": "ARRHENIUS",
-          "A": 1.38889e+16,
-          "Ea": 8.40401e-20,
+          "type": "TROE",
+          "k0_A": 8.796296296E-6,
+          "k0_B": -3.6,
+          "k0_C": -8537.0,
+          "kinf_A": 1.712962963E+15,
+          "kinf_B": -1.6,
+          "kinf_C": -8537.0,
           "reactants": {
-            "CL2O2": { },
-            "M": { }
+            "CL2O2": { }
           },
           "products": {
-            "CLO": { "yield": 2 },
-            "M": { }
+            "CLO": { "yield": 2 }
           }
         },
         {
@@ -517,7 +519,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jsoa3_a2->,.0004*jno2",
+          "MUSICA name": "jsoa3_a2",
           "reactants": {
             "soa3_a2": { }
           },
@@ -605,7 +607,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jtepomuc->,.10*jno2",
+          "MUSICA name": "jtepomuc",
           "reactants": {
             "TEPOMUC": { }
           },
@@ -620,7 +622,7 @@
           "k0_A": 9.7e-29,
           "k0_B": -5.6,
           "kinf_A": 9.3e-12,
-          "N": 1.5,
+          "kinf_B": -1.5,
           "reactants": {
             "MDIALO2": { },
             "NO2": { }
@@ -696,7 +698,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jno=userdefined,",
+          "MUSICA name": "jno",
           "reactants": {
             "NO": { }
           },
@@ -833,7 +835,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jc3h7ooh->,jch3ooh",
+          "MUSICA name": "jc3h7ooh",
           "reactants": {
             "C3H7OOH": { }
           },
@@ -879,7 +881,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jnoa->,jch2o_a",
+          "MUSICA name": "jnoa",
           "reactants": {
             "NOA": { }
           },
@@ -955,8 +957,8 @@
           "k0_A": 6.1e-33,
           "k0_B": -1.5,
           "kinf_A": 9.8e-15,
+          "kinf_B": 4.6,
           "Fc": 0.8,
-          "N": -4.6,
           "reactants": {
             "OH": { },
             "HCN": { }
@@ -1015,7 +1017,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jnterpooh->,jch3ooh",
+          "MUSICA name": "jnterpooh",
           "reactants": {
             "NTERPOOH": { }
           },
@@ -1041,7 +1043,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jrooh->,jch3ooh",
+          "MUSICA name": "jrooh",
           "reactants": {
             "ROOH": { }
           },
@@ -1133,7 +1135,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jpooh->,jch3ooh",
+          "MUSICA name": "jpooh",
           "reactants": {
             "POOH": { }
           },
@@ -1173,7 +1175,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jsoa2_a2->,.0004*jno2",
+          "MUSICA name": "jsoa2_a2",
           "reactants": {
             "soa2_a2": { }
           },
@@ -1432,7 +1434,7 @@
           "k0_A": 2.9e-31,
           "k0_B": -4.1,
           "kinf_A": 1.7e-12,
-          "N": -0.2,
+          "kinf_B": 0.2,
           "reactants": {
             "SO2": { },
             "OH": { }
@@ -1447,7 +1449,6 @@
           "k0_A": 1.8e-30,
           "k0_B": -3,
           "kinf_A": 2.8e-11,
-          "N": 0,
           "reactants": {
             "OH": { },
             "NO2": { }
@@ -1461,7 +1462,7 @@
           "k0_A": 1.8e-31,
           "k0_B": -3.4,
           "kinf_A": 1.5e-11,
-          "N": 1.9,
+          "kinf_B": -1.9,
           "reactants": {
             "CLO": { },
             "NO2": { }
@@ -1590,7 +1591,6 @@
           "k0_B": -3.5,
           "kinf_A": 3.0e-11,
           "Fc": 0.5,
-          "N": 0,
           "reactants": {
             "OH": { },
             "C3H6": { }
@@ -1630,12 +1630,12 @@
         },
         {
           "type": "TROE",
-          "k0_A": 0.000413793,
+          "k0_A": 4.13793120e-04,
           "k0_B": -3,
           "k0_C": -10840,
-          "kinf_A": 2.75862e+14,
+          "kinf_A": 2.7586208e+14,
           "kinf_C": -10840,
-          "N": -0.1,
+          "kinf_B": 0.1,
           "reactants": {
             "N2O5": { }
           },
@@ -1773,7 +1773,7 @@
           "k0_A": 1.9e-32,
           "k0_B": -3.6,
           "kinf_A": 3.7e-12,
-          "N": 1.6,
+          "kinf_B": -1.6,
           "reactants": {
             "CLO": { "qty": 2 }
           },
@@ -1783,7 +1783,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jsoa5_a2->,.0004*jno2",
+          "MUSICA name": "jsoa5_a2",
           "reactants": {
             "soa5_a2": { }
           },
@@ -1889,7 +1889,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jbenzooh->,jch3ooh",
+          "MUSICA name": "jbenzooh",
           "reactants": {
             "BENZOOH": { }
           },
@@ -2068,7 +2068,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jisopnooh->,jch3ooh",
+          "MUSICA name": "jisopnooh",
           "reactants": {
             "ISOPNOOH": { }
           },
@@ -2080,7 +2080,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jalkooh->,jch3ooh",
+          "MUSICA name": "jalkooh",
           "reactants": {
             "ALKOOH": { }
           },
@@ -2134,7 +2134,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jsoa1_a1->,.0004*jno2",
+          "MUSICA name": "jsoa1_a1",
           "reactants": {
             "soa1_a1": { }
           },
@@ -2148,7 +2148,7 @@
           "k0_B": -3.1,
           "kinf_A": 9.0e-12,
           "Fc": 0.48,
-          "N": 0.85,
+          "kinf_B": -0.85,
           "reactants": {
             "C2H4": { },
             "OH": { }
@@ -2162,7 +2162,7 @@
           "k0_A": 5.3e-32,
           "k0_B": -1.8,
           "kinf_A": 9.5e-11,
-          "N": -0.4,
+          "kinf_B": 0.4,
           "reactants": {
             "O2": { },
             "H": { }
@@ -2261,7 +2261,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jeooh->,jch3ooh",
+          "MUSICA name": "jeooh",
           "reactants": {
             "EOOH": { }
           },
@@ -2309,7 +2309,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jisopooh->,jch3ooh",
+          "MUSICA name": "jisopooh",
           "reactants": {
             "ISOPOOH": { }
           },
@@ -2365,7 +2365,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jc6h5ooh->,jch3ooh",
+          "MUSICA name": "jc6h5ooh",
           "reactants": {
             "C6H5OOH": { }
           },
@@ -2429,7 +2429,7 @@
           "k0_A": 9.7e-29,
           "k0_B": -5.6,
           "kinf_A": 9.3e-12,
-          "N": 1.5,
+          "kinf_B": -1.5,
           "reactants": {
             "MALO2": { },
             "NO2": { }
@@ -2610,7 +2610,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jbigald2->,.20*jno2",
+          "MUSICA name": "jbigald2",
           "reactants": {
             "BIGALD2": { }
           },
@@ -2661,7 +2661,7 @@
           "k0_A": 9.7e-29,
           "k0_B": -5.6,
           "kinf_A": 9.3e-12,
-          "N": 1.5,
+          "kinf_B": -1.5,
           "reactants": {
             "ACBZO2": { },
             "NO2": { }
@@ -2916,7 +2916,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jglyoxal->,jmgly",
+          "MUSICA name": "jglyoxal",
           "reactants": {
             "GLYOXAL": { }
           },
@@ -3045,7 +3045,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jhpald->,.006*jno2",
+          "MUSICA name": "jhpald",
           "reactants": {
             "HPALD": { }
           },
@@ -3098,7 +3098,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jbzooh->,jch3ooh",
+          "MUSICA name": "jbzooh",
           "reactants": {
             "BZOOH": { }
           },
@@ -3198,7 +3198,7 @@
           "k0_A": 5.2e-30,
           "k0_B": -2.4,
           "kinf_A": 2.2e-10,
-          "N": 0.7,
+          "kinf_B": -0.7,
           "reactants": {
             "C2H2": { },
             "CL": { }
@@ -3234,7 +3234,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jalknit->,jch3ooh",
+          "MUSICA name": "jalknit",
           "reactants": {
             "ALKNIT": { }
           },
@@ -3279,7 +3279,7 @@
           "k0_A": 9.7e-29,
           "k0_B": -5.6,
           "kinf_A": 9.3e-12,
-          "N": 1.5,
+          "kinf_B": -1.5,
           "reactants": {
             "MCO3": { },
             "NO2": { }
@@ -3340,7 +3340,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jbigald->,0.2*jno2",
+          "MUSICA name": "jbigald",
           "reactants": {
             "BIGALD": { }
           },
@@ -3382,7 +3382,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jsoa5_a1->,.0004*jno2",
+          "MUSICA name": "jsoa5_a1",
           "reactants": {
             "soa5_a1": { }
           },
@@ -3420,7 +3420,7 @@
           "k0_A": 7.3e-29,
           "k0_B": -4.1,
           "kinf_A": 9.5e-12,
-          "N": 1.6,
+          "kinf_B": -1.6,
           "reactants": {
             "CH3CO3": { },
             "NO2": { }
@@ -3674,7 +3674,6 @@
           "k0_B": -3.5,
           "kinf_A": 3.0e-11,
           "Fc": 0.5,
-          "N": 0,
           "reactants": {
             "OH": { },
             "MPAN": { }
@@ -3693,8 +3692,8 @@
           "k0_B": -5.6,
           "k0_C": -14000,
           "kinf_A": 1.03323e+17,
+          "kinf_B": -1.5,
           "kinf_C": -14000,
-          "N": 1.5,
           "reactants": {
             "PBZNIT": { }
           },
@@ -3741,7 +3740,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jterprd2->,jch3cho",
+          "MUSICA name": "jterprd2",
           "reactants": {
             "TERPROD2": { }
           },
@@ -3815,7 +3814,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jmek->,jacet",
+          "MUSICA name": "jmek",
           "reactants": {
             "MEK": { }
           },
@@ -3907,7 +3906,6 @@
           "k0_A": 9.0e-32,
           "k0_B": -1.5,
           "kinf_A": 3.0e-11,
-          "N": 0,
           "reactants": {
             "NO": { },
             "O": { }
@@ -4014,7 +4012,7 @@
           "k0_A": 1.9e-31,
           "k0_B": -3.4,
           "kinf_A": 4.0e-12,
-          "N": 0.3,
+          "kinf_B": -0.3,
           "reactants": {
             "NO2": { },
             "HO2": { }
@@ -4104,7 +4102,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jxylolooh->,jch3ooh",
+          "MUSICA name": "jxylolooh",
           "reactants": {
             "XYLOLOOH": { }
           },
@@ -4128,7 +4126,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jmekooh->,jch3ooh",
+          "MUSICA name": "jmekooh",
           "reactants": {
             "MEKOOH": { }
           },
@@ -4193,7 +4191,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jphenooh->,jch3ooh",
+          "MUSICA name": "jphenooh",
           "reactants": {
             "PHENOOH": { }
           },
@@ -4299,7 +4297,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jsoa4_a1->,.0004*jno2",
+          "MUSICA name": "jsoa4_a1",
           "reactants": {
             "soa4_a1": { }
           },
@@ -4346,7 +4344,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jbigald3->,.20*jno2",
+          "MUSICA name": "jbigald3",
           "reactants": {
             "BIGALD3": { }
           },
@@ -4407,7 +4405,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jbepomuc->,.10*jno2",
+          "MUSICA name": "jbepomuc",
           "reactants": {
             "BEPOMUC": { }
           },
@@ -4638,8 +4636,8 @@
           "k0_B": -3.4,
           "k0_C": -10900,
           "kinf_A": 1.90476e+15,
+          "kinf_B": -0.3,
           "kinf_C": -10900,
-          "N": 0.3,
           "reactants": {
             "HO2NO2": { }
           },
@@ -4700,7 +4698,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jnc4cho->,jch2o_a",
+          "MUSICA name": "jnc4cho",
           "reactants": {
             "NC4CHO": { }
           },
@@ -4733,7 +4731,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jhonitr->,jch2o_a",
+          "MUSICA name": "jhonitr",
           "reactants": {
             "HONITR": { }
           },
@@ -4764,7 +4762,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jxooh->,jch3ooh",
+          "MUSICA name": "jxooh",
           "reactants": {
             "XOOH": { }
           },
@@ -4830,7 +4828,7 @@
           "k0_A": 5.2e-31,
           "k0_B": -3.2,
           "kinf_A": 6.9e-12,
-          "N": 2.9,
+          "kinf_B": -2.9,
           "reactants": {
             "BRO": { },
             "NO2": { }
@@ -4855,6 +4853,7 @@
           "k0_A": 1.6e-29,
           "k0_B": -3.3,
           "kinf_A": 3.1e-10,
+          "kinf_B": -1.0,
           "reactants": {
             "C2H4": { },
             "CL": { }
@@ -4921,7 +4920,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jch3co3h->,0.28*jh2o2",
+          "MUSICA name": "jch3co3h",
           "reactants": {
             "CH3COOOH": { }
           },
@@ -5018,7 +5017,6 @@
           "k0_A": 6.9e-31,
           "k0_B": -1,
           "kinf_A": 2.6e-11,
-          "N": 0,
           "reactants": {
             "OH": { "qty": 2 }
           },
@@ -5028,7 +5026,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jonitr->,jch3cho",
+          "MUSICA name": "jonitr",
           "reactants": {
             "ONITR": { }
           },
@@ -5038,7 +5036,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jterpooh->,jch3ooh",
+          "MUSICA name": "jterpooh",
           "reactants": {
             "TERPOOH": { }
           },
@@ -5084,12 +5082,7 @@
           }
         },
         {
-          "type": "TROE",
-          "k0_A": 3.57e-43,
-          "k0_C": 7810,
-          "kinf_A": 3.09091e-12,
-          "kinf_C": 350,
-          "Fc": 1,
+          "type": "USER_DEFINED",
           "reactants": {
             "OH": { },
             "DMS": { }
@@ -5097,7 +5090,8 @@
           "products": {
             "SO2": { "yield": 0.5 },
             "HO2": { "yield": 0.5 }
-          }
+          },
+          "MUSICA name": "usr_DMS_OH"
         },
         {
           "type": "ARRHENIUS",
@@ -5232,7 +5226,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jbigald1->,.14*jno2",
+          "MUSICA name": "jbigald1",
           "reactants": {
             "BIGALD1": { }
           },
@@ -5270,7 +5264,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jc2h5ooh->,jch3ooh",
+          "MUSICA name": "jc2h5ooh",
           "reactants": {
             "C2H5OOH": { }
           },
@@ -5418,7 +5412,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jterprd1->,jch3cho",
+          "MUSICA name": "jterprd1",
           "reactants": {
             "TERPROD1": { }
           },
@@ -5430,7 +5424,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jmpan->,jpan",
+          "MUSICA name": "jmpan",
           "reactants": {
             "MPAN": { }
           },
@@ -5492,7 +5486,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jsoa3_a1->,.0004*jno2",
+          "MUSICA name": "jsoa3_a1",
           "reactants": {
             "soa3_a1": { }
           },
@@ -5502,7 +5496,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jsoa4_a2->,.0004*jno2",
+          "MUSICA name": "jsoa4_a2",
           "reactants": {
             "soa4_a2": { }
           },
@@ -5665,7 +5659,7 @@
           "k0_A": 9.7e-29,
           "k0_B": -5.6,
           "kinf_A": 9.3e-12,
-          "N": 1.5,
+          "kinf_B": -1.5,
           "reactants": {
             "DICARBO2": { },
             "NO2": { }
@@ -5758,10 +5752,10 @@
         {
           "type": "ARRHENIUS",
           "A": 8.5e-41,
-          "Ea": -9.02944e-20,
+          "C": 6540,
           "reactants": {
-            "H2O": { },
-            "SO3": { }
+            "H2O": { "qty": 2 },
+            "SO3": {}
           },
           "products": {
             "H2SO4": { },
@@ -5770,7 +5764,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jtolooh->,jch3ooh",
+          "MUSICA name": "jtolooh",
           "reactants": {
             "TOLOOH": { }
           },
@@ -5908,7 +5902,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jsoa2_a1->,.0004*jno2",
+          "MUSICA name": "jsoa2_a1",
           "reactants": {
             "soa2_a1": { }
           },
@@ -6417,7 +6411,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jo2_a=userdefined,",
+          "MUSICA name": "jo2_a",
           "reactants": {
             "O2": { }
           },
@@ -6489,8 +6483,8 @@
           "k0_B": -5.6,
           "k0_C": -14000,
           "kinf_A": 1.03323e+17,
+          "kinf_B": -1.5,
           "kinf_C": -14000,
-          "N": 1.5,
           "reactants": {
             "MPAN": { }
           },
@@ -6611,7 +6605,7 @@
         },
         {
           "type": "PHOTOLYSIS",
-          "MUSICA name": "jsoa1_a2->,.0004*jno2",
+          "MUSICA name": "jsoa1_a2",
           "reactants": {
             "soa1_a2": { }
           },
@@ -6717,7 +6711,7 @@
           "k0_A": 2.5e-31,
           "k0_B": -1.8,
           "kinf_A": 2.2e-11,
-          "N": 0.7,
+          "kinf_B": -0.7,
           "reactants": {
             "NO2": { },
             "O": { }
@@ -6780,7 +6774,7 @@
           "k0_A": 2.4e-30,
           "k0_B": -3,
           "kinf_A": 1.6e-12,
-          "N": -0.1,
+          "kinf_B": 0.1,
           "reactants": {
             "NO3": { },
             "NO2": { }
@@ -7094,7 +7088,7 @@
     },
     {
       "type": "USER_DEFINED",
-      "MUSICA name": "usr_CO_OH; non-standard algorithm",
+      "__comments": "k_co_oh_jpl19; non-standard algorithm",
       "reactants": {
         "OH": { },
         "CO": { }
@@ -7103,7 +7097,7 @@
         "CO2": { },
         "HO2": { }
       },
-      "MUSICA name": "k_co_oh_jpl19"
+      "MUSICA name": "usr_CO_OH"
     },
     {
       "type": "SURFACE",
@@ -7127,4 +7121,4 @@
       }
     }
   ]
-}
+}
\ No newline at end of file
diff --git a/examples/configs/carbon_bond_5/initial_conditions.csv b/examples/configs/carbon_bond_5/initial_conditions.csv
index 35bb46874..005df9960 100644
--- a/examples/configs/carbon_bond_5/initial_conditions.csv
+++ b/examples/configs/carbon_bond_5/initial_conditions.csv
@@ -1,38 +1,353 @@
+CONC.O2,8.90261411
+CONC.N2,33.1007671
+CONC.ALKNIT,8.72E-10
+CONC.BZOOH,2.68E-11
+CONC.C6H5OOH,4.20E-10
+CONC.COF2,5.24E-11
+CONC.COFCL,7.92E-12
+CONC.HF,1.81E-11
+CONC.F,3.89E-28
+CONC.BENZO2,2.09E-13
+CONC.BZOO,8.81E-13
+CONC.PAN,4.25E-08
+CONC.MVK,2.61E-08
+CONC.MACROOH,1.21E-09
+CONC.soa1_a1,1.0E-15
+CONC.soa1_a2,1.0E-15
+CONC.soa2_a1,1.0E-15
+CONC.soa2_a2,1.0E-15
+CONC.soa3_a1,1.0E-15
+CONC.soa3_a2,1.0E-15
+CONC.soa4_a1,1.0E-15
+CONC.soa4_a2,1.0E-15
+CONC.soa5_a1,1.0E-15
+CONC.soa5_a2,1.0E-15
+CONC.SOAG0,3.33E-11
+CONC.SOAG1,2.14E-10
+CONC.SOAG2,1.40E-09
+CONC.SOAG3,4.27E-09
+CONC.SOAG4,2.25E-08
+CONC.ISOPNITB,1.05E-09
+CONC.SO3,1.75E-17
+CONC.OCS,1.96E-08
+CONC.SO,1.22E-20
+CONC.S,1.10E-26
+CONC.H,9.67E-18
+CONC.MEK,1.04E-08
+CONC.MTERP,1.09E-09
+CONC.N2O5,1.00E-11
+CONC.HCN,1.90E-08
+CONC.SVOC,1.98E-10
+CONC.ISOPNO3,5.35E-13
+CONC.RO2,7.13E-12
+CONC.PHENO2,2.54E-13
+CONC.IVOC,2.06E-09
+CONC.TERPNIT,8.28E-10
+CONC.HNO3,1.04E-07
+CONC.ACBZO2,3.54E-13
+CONC.CH3COOOH,7.19E-09
+CONC.SO2,6.15E-08
+CONC.CH4,7.03E-05
+CONC.CH3CL,2.07E-08
+CONC.CH3CO3,8.32E-11
+CONC.C6H5O2,6.23E-12
+CONC.TERPROD1,1.68E-09
+CONC.HYAC,4.88E-08
+CONC.HPALD,3.56E-10
+CONC.H2O,7.46E-01
+CONC.NO2,6.37E-08
+CONC.EOOH,3.56E-09
+CONC.NTERPOOH,9.37E-11
+CONC.CCL4,2.96E-09
+CONC.CF2CLBR,1.24E-10
+CONC.CF3BR,1.26E-10
+CONC.CFC11,8.50E-09
+CONC.CFC113,2.66E-09
+CONC.CFC114,6.19E-10
+CONC.CFC115,3.29E-10
+CONC.CFC12,1.92E-08
+CONC.CH2BR2,4.32E-11
+CONC.CH3BR,2.37E-10
+CONC.CH3CCL3,5.55E-11
+CONC.NO,1.47E-08
+CONC.BR,3.67E-14
+CONC.BRCL,9.18E-19
+CONC.BRO,1.95E-13
+CONC.BRONO2,1.22E-11
+CONC.CL,1.07E-15
+CONC.CL2,1.01E-16
+CONC.CL2O2,1.89E-23
+CONC.CLO,8.06E-14
+CONC.CLONO2,4.09E-11
+CONC.HCOOH,8.79E-09
+CONC.HBR,4.48E-11
+CONC.HOBR,1.65E-12
+CONC.HOCL,2.11E-12
+CONC.BIGENE,6.59E-10
+CONC.C2H4,2.51E-08
+CONC.C2H5O2,1.55E-12
+CONC.CH3COCHO,1.95E-08
+CONC.CH3COCH3,7.37E-08
+CONC.O,2.85E-14
+CONC.OCLO,7.68E-19
+CONC.O1D,1.53E-19
+CONC.PHENO,1.00E-12
+CONC.HCFC141B,9.29E-10
+CONC.HCFC142B,8.24E-10
+CONC.HCFC22,9.07E-09
+CONC.DMS,1.74E-10
+CONC.C2H5OH,2.75E-08
+CONC.HCL,8.17E-10
+CONC.BEPOMUC,5.40E-12
+CONC.CHBR3,3.87E-11
+CONC.H2402,1.52E-11
+CONC.CO2,1.56E-02
+CONC.BZALD,4.70E-10
+CONC.BENZENE,2.67E-09
+CONC.C3H7O2,2.31E-12
+CONC.CH3O2,3.34E-10
+CONC.BCARY,5.04E-12
+CONC.BIGALD,1.33E-11
+CONC.BIGALD2,6.58E-11
+CONC.BIGALD3,6.83E-11
+CONC.BIGALD4,7.34E-10
+CONC.BIGALK,1.90E-08
+CONC.H2O2,7.36E-08
+CONC.C2H5OOH,7.99E-11
+CONC.C2H6,2.93E-08
+CONC.C3H8,9.70E-09
+CONC.C3H6,2.42E-09
+CONC.CH2O,2.44E-07
+CONC.CH3CN,4.66E-09
+CONC.C2H2,2.13E-08
+CONC.CH3OH,2.74E-07
+CONC.CH3OOH,1.69E-08
+CONC.CRESOL,1.06E-10
+CONC.ENEO2,7.98E-12
+CONC.MACRO2,1.09E-10
+CONC.ISOPAO2,1.39E-10
+CONC.MALO2,1.07E-13
+CONC.ISOPBO2,9.08E-11
+CONC.MCO3,9.23E-12
+CONC.MDIALO2,1.61E-13
+CONC.MEKO2,2.81E-12
+CONC.EO2,4.04E-11
+CONC.EO,9.93E-18
+CONC.GLYOXAL,1.25E-08
+CONC.MPAN,3.11E-09
+CONC.NC4CH2OH,7.30E-13
+CONC.ISOPOOH,4.68E-09
+CONC.GLYALD,4.58E-08
+CONC.HO2,1.69E-09
+CONC.HOCH2OO,1.07E-13
+CONC.H2,1.93E-05
+CONC.HYDRALD,1.49E-08
+CONC.ISOP,1.23E-08
+CONC.NTERPO2,9.18E-13
+CONC.TOLO2,3.23E-12
+CONC.TERP2O2,2.15E-11
+CONC.XYLENO2,4.98E-12
+CONC.TERPO2,1.29E-11
+CONC.XYLOLO2,4.62E-13
+CONC.PBZNIT,1.78E-10
+CONC.XYLENES,2.82E-09
+CONC.PO2,1.46E-11
+CONC.TOLUENE,4.88E-09
+CONC.XO2,1.12E-10
+CONC.XOOH,7.93E-09
+CONC.TERPROD2,3.81E-09
+CONC.MEKOOH,6.15E-11
+CONC.MACR,1.06E-08
+CONC.HONITR,6.79E-09
+CONC.ISOPNITA,1.62E-09
+CONC.ISOPNOOH,9.16E-11
+CONC.IEPOX,5.84E-09
+CONC.ONITR,2.67E-09
+CONC.H2SO4,2.27E-11
+CONC.N2O,1.27E-05
+CONC.NO3,9.32E-12
+CONC.OH,2.52E-11
+CONC.PHENOOH,9.15E-12
+CONC.PHENOL,9.49E-11
+CONC.XYLOL,9.92E-11
+CONC.ROOH,4.40E-10
+CONC.O3,2.49E-06
+CONC.TERPOOH,2.46E-10
+CONC.TOLOOH,9.69E-11
+CONC.XYLENOOH,1.50E-10
+CONC.XYLOLOOH,1.31E-11
+CONC.CO,3.25E-06
+CONC.CH3COOH,8.20E-09
+CONC.CH3CHO,2.51E-08
+CONC.BIGALD1,6.47E-11
+CONC.ALKOOH,3.79E-10
+CONC.DICARBO2,1.55E-13
+CONC.BENZOOH,5.78E-12
+CONC.ALKO2,1.39E-11
+CONC.HO2NO2,7.99E-10
+CONC.C3H7OOH,7.87E-11
+CONC.NH3,7.59E-08
+CONC.TERP2OOH,5.96E-10
+CONC.POOH,9.24E-10
+CONC.NOA,5.46E-09
+CONC.NC4CHO,3.67E-11
+CONC.TEPOMUC,2.21E-10
+CONC.NH4,1.0E-15
+CONC.SF6,1.0E-15
+PHOTO.jacet,1.25E-06
+PHOTO.jalknit,5.95E-06
+PHOTO.jalkooh,5.95E-06
+PHOTO.jbenzooh,5.95E-06
+PHOTO.jbepomuc,1.01E-03
+PHOTO.jbigald,2.01E-03
+PHOTO.jbigald1,1.41E-03
+PHOTO.jbigald2,2.01E-03
+PHOTO.jbigald3,2.01E-03
+PHOTO.jbigald4,6.03E-05
+PHOTO.jbrcl,1.12E-02
+PHOTO.jbro,4.07E-02
+PHOTO.jbrono2_a,1.27E-03
+PHOTO.jbrono2_b,2.24E-04
+PHOTO.jbzooh,5.95E-06
+PHOTO.jc2h5ooh,5.95E-06
+PHOTO.jc3h7ooh,5.95E-06
+PHOTO.jc6h5ooh,5.95E-06
+PHOTO.jccl4,1.28E-23
+PHOTO.jcf2cl2,2.50E-24
+PHOTO.jcf2clbr,6.95E-09
+PHOTO.jcf3br,1.45E-12
+PHOTO.jcfc113,2.60E-24
+PHOTO.jcfc114,2.09E-25
+PHOTO.jcfc115,1.23E-26
+PHOTO.jcfcl3,1.38E-23
+PHOTO.jch2br2,1.15E-09
+PHOTO.jch2o_a,3.47E-05
+PHOTO.jch2o_b,4.92E-05
+PHOTO.jch3br,9.35E-16
+PHOTO.jch3ccl3,1.79E-23
+PHOTO.jch3cho,7.18E-06
+PHOTO.jch3cl,4.68E-25
+PHOTO.jch3co3h,2.23E-06
+PHOTO.jch3ooh,5.95E-06
+PHOTO.jch4_a,0.00E+00
+PHOTO.jch4_b,0.00E+00
+PHOTO.jchbr3,1.81E-06
+PHOTO.jcl2,2.52E-03
+PHOTO.jcl2o2,1.98E-03
+PHOTO.jclo,2.40E-04
+PHOTO.jclono2_a,4.59E-05
+PHOTO.jclono2_b,1.00E-05
+PHOTO.jco2,5.28E-30
+PHOTO.jcof2,3.30E-25
+PHOTO.jcofcl,2.30E-24
+PHOTO.jeooh,5.95E-06
+PHOTO.jglyald,6.18E-06
+PHOTO.jglyoxal,1.40E-04
+PHOTO.jh2402,3.68E-09
+PHOTO.jh2o2,7.98E-06
+PHOTO.jh2o_a,8.96E-31
+PHOTO.jh2o_b,0.00E+00
+PHOTO.jh2o_c,0.00E+00
+PHOTO.jh2so4,3.10E-10
+PHOTO.jhbr,2.55E-23
+PHOTO.jhcfc141b,4.36E-24
+PHOTO.jhcfc142b,3.98E-26
+PHOTO.jhcfc22,8.55E-27
+PHOTO.jhcl,6.59E-25
+PHOTO.jhf,0.00E+00
+PHOTO.jhno3,8.54E-07
+PHOTO.jho2no2_a,1.71E-06
+PHOTO.jho2no2_b,1.72E-05
+PHOTO.jhobr,2.37E-03
+PHOTO.jhocl,3.04E-04
+PHOTO.jhonitr,3.47E-05
+PHOTO.jhpald,6.03E-05
+PHOTO.jhyac,2.47E-06
+PHOTO.jisopnooh,5.95E-06
+PHOTO.jisopooh,5.95E-06
+PHOTO.jmacr_a,2.77E-06
+PHOTO.jmacr_b,2.77E-06
+PHOTO.jmek,1.25E-06
+PHOTO.jmekooh,5.95E-06
+PHOTO.jmgly,1.40E-04
+PHOTO.jmpan,9.69E-07
+PHOTO.jmvk,5.20E-06
+PHOTO.jn2o,9.25E-25
+PHOTO.jn2o5_a,5.54E-05
+PHOTO.jn2o5_b,3.76E-09
+PHOTO.jnc4cho,3.47E-05
+PHOTO.jno,1.0e-8
+PHOTO.jno2,1.01E-02
+PHOTO.jno3_a,1.99E-01
+PHOTO.jno3_b,1.24E-02
+PHOTO.jnoa,3.47E-05
+PHOTO.jnterpooh,5.95E-06
+PHOTO.jo2_a,0.00E+00
+PHOTO.jo2_b,1.40E-28
+PHOTO.jo3_a,5.13E-05
+PHOTO.jo3_b,4.49E-04
+PHOTO.joclo,7.26E-02
+PHOTO.jocs,6.18E-12
+PHOTO.jonitr,7.18E-06
+PHOTO.jpan,9.69E-07
+PHOTO.jphenooh,5.95E-06
+PHOTO.jpooh,5.95E-06
+PHOTO.jrooh,5.95E-06
+PHOTO.jso,2.58E-22
+PHOTO.jso2,1.18E-22
+PHOTO.jso3,2.36E-07
+PHOTO.jtepomuc,1.01E-03
+PHOTO.jterp2ooh,5.95E-06
+PHOTO.jterpnit,5.95E-06
+PHOTO.jterpooh,5.95E-06
+PHOTO.jterprd1,7.18E-06
+PHOTO.jterprd2,7.18E-06
+PHOTO.jtolooh,5.95E-06
+PHOTO.jxooh,5.95E-06
+PHOTO.jxylenooh,5.95E-06
+PHOTO.jxylolooh,5.95E-06
+PHOTO.jsf6,1.0e-20
+PHOTO.jsoa1_a1,1.0e-20
+PHOTO.jsoa1_a2,1.0e-20
+PHOTO.jsoa2_a1,1.0e-20
+PHOTO.jsoa2_a2,1.0e-20
+PHOTO.jsoa3_a1,1.0e-20
+PHOTO.jsoa3_a2,1.0e-20
+PHOTO.jsoa4_a1,1.0e-20
+PHOTO.jsoa4_a2,1.0e-20
+PHOTO.jsoa5_a1,1.0e-20
+PHOTO.jsoa5_a2,1.0e-20
+USER.het1,1.0E-20
+USER.het2,1.0E-20
+USER.het3,1.0E-20
+USER.het4,6.022140760000E-03
+USER.het5,6.022140760000E-03
+USER.het6,6.022140760000E-03
+USER.het7,1.0E-20
+USER.het8,1.0E-20
+USER.het9,6.022140760000E-03
+USER.het10,6.022140760000E-03
+USER.het11,1.0E-20
+USER.het12,1.0E-20
+USER.het13,1.0E-20
+USER.het14,1.0E-20
+USER.het15,6.022140760000E-03
+USER.het16,6.022140760000E-03
+USER.het17,6.022140760000E-03
+SURF.usr_NO2_aer,2.820947917738780E-08,1.0e11
+SURF.usr_HO2_aer,2.820947917738780E-08,1.0e11
+SURF.usr_NO3_aer,2.820947917738780E-08,1.0e11
+SURF.usr_ISOPNITA_aer,2.820947917738780E-08,1.0e11
+SURF.usr_ISOPNITB_aer,2.820947917738780E-08,1.0e11
+SURF.usr_GLYOXAL_aer,2.820947917738780E-08,1.0e11
+SURF.usr_ONITR_aer,2.820947917738780E-08,1.0e11
+SURF.usr_N2O5_aer,2.820947917738780E-08,1.0e11
+SURF.usr_HONITR_aer,2.820947917738780E-08,1.0e11
+SURF.usr_NC4CHO_aer,2.820947917738780E-08,1.0e11
+SURF.usr_TERPNIT_aer,2.820947917738780E-08,1.0e11
+SURF.usr_NTERPOOH_aer,2.820947917738780E-08,1.0e11
+SURF.usr_NC4CH2OH_aer,2.820947917738780E-08,1.0e11
 ENV.temperature,287.45
 ENV.pressure,101319.9
-ENV.air_density,1e-6
-ENV.time_step,500
-EMIS.NO,1.44e-10
-EMIS.NO2,7.56e-12
-EMIS.CO,1.9600000000000003e-09
-EMIS.SO2,1.06e-09
-EMIS.FORM,1.02e-11
-EMIS.MEOH,5.920000000000001e-13
-EMIS.ALD2,4.25e-12
-EMIS.PAR,4.27e-10
-EMIS.ETH,4.62e-11
-EMIS.OLE,1.49e-11
-EMIS.IOLE,1.49e-11
-EMIS.TOL,1.53e-11
-EMIS.XYL,1.4e-11
-EMIS.ISOP,6.03e-12
-PHOTO.NO2,0.00477
-PHOTO.O3->O1D,2.26e-06
-PHOTO.O3->O3P,0.00025299999999999997
-PHOTO.NO3->NO2,0.11699999999999999
-PHOTO.NO3->NO,0.0144
-PHOTO.HONO,0.000918
-PHOTO.H2O2,2.59e-06
-PHOTO.PNA,1.89e-06
-PHOTO.HNO3,8.61e-08
-PHOTO.NTR,4.77e-07
-PHOTO.ROOH,1.81e-06
-PHOTO.MEPX,1.81e-06
-PHOTO.FORM->HO2,7.93e-06
-PHOTO.FORM->CO,2.2e-05
-PHOTO.ALD2,2.2e-06
-PHOTO.PACD,1.81e-06
-PHOTO.ALDX,2.2e-06
-PHOTO.OPEN,0.0006450000000000001
-PHOTO.MGLY,7.64e-05
-PHOTO.ISPD,1.98e-09
\ No newline at end of file
+ENV.air_density,42.3934005
+ENV.time_step,60.0
\ No newline at end of file
diff --git a/examples/configs/carbon_bond_5/species.json b/examples/configs/carbon_bond_5/species.json
index d96ac8098..94c416755 100644
--- a/examples/configs/carbon_bond_5/species.json
+++ b/examples/configs/carbon_bond_5/species.json
@@ -1 +1,272 @@
-{"camp-data": [{"name": "AACD", "type": "CHEM_SPEC"}, {"name": "ALD2", "type": "CHEM_SPEC"}, {"name": "ALDX", "type": "CHEM_SPEC"}, {"name": "BENZENE", "type": "CHEM_SPEC"}, {"name": "BENZRO2", "type": "CHEM_SPEC"}, {"name": "C2O3", "type": "CHEM_SPEC"}, {"name": "CH4", "type": "CHEM_SPEC"}, {"name": "CL", "type": "CHEM_SPEC"}, {"name": "CL2", "type": "CHEM_SPEC"}, {"name": "CLO", "type": "CHEM_SPEC"}, {"name": "CO", "type": "CHEM_SPEC"}, {"name": "CRES", "type": "CHEM_SPEC"}, {"name": "CRO", "type": "CHEM_SPEC"}, {"name": "CXO3", "type": "CHEM_SPEC"}, {"name": "ETH", "type": "CHEM_SPEC"}, {"name": "ETHA", "type": "CHEM_SPEC"}, {"name": "ETOH", "type": "CHEM_SPEC"}, {"name": "FACD", "type": "CHEM_SPEC"}, {"name": "FMCL", "type": "CHEM_SPEC"}, {"name": "FORM", "type": "CHEM_SPEC"}, {"name": "H2", "type": "CHEM_SPEC"}, {"name": "H2O", "type": "CHEM_SPEC"}, {"name": "H2O2", "type": "CHEM_SPEC"}, {"name": "HCL", "type": "CHEM_SPEC"}, {"name": "HCO3", "type": "CHEM_SPEC"}, {"name": "HNO3", "type": "CHEM_SPEC"}, {"name": "HO2", "type": "CHEM_SPEC"}, {"name": "HOCL", "type": "CHEM_SPEC"}, {"name": "HONO", "type": "CHEM_SPEC"}, {"name": "IOLE", "type": "CHEM_SPEC"}, {"name": "ISOP", "type": "CHEM_SPEC"}, {"name": "ISPD", "type": "CHEM_SPEC"}, {"name": "M", "type": "CHEM_SPEC"}, {"name": "MEO2", "type": "CHEM_SPEC"}, {"name": "MEOH", "type": "CHEM_SPEC"}, {"name": "MEPX", "type": "CHEM_SPEC"}, {"name": "MGLY", "type": "CHEM_SPEC"}, {"name": "N2O5", "type": "CHEM_SPEC"}, {"name": "NO", "type": "CHEM_SPEC"}, {"name": "NO2", "type": "CHEM_SPEC"}, {"name": "NO3", "type": "CHEM_SPEC"}, {"name": "NTR", "type": "CHEM_SPEC"}, {"name": "O", "type": "CHEM_SPEC"}, {"name": "O1D", "type": "CHEM_SPEC"}, {"name": "O3", "type": "CHEM_SPEC"}, {"name": "OH", "type": "CHEM_SPEC"}, {"name": "O2", "type": "CHEM_SPEC"}, {"name": "OLE", "type": "CHEM_SPEC"}, {"name": "OPEN", "type": "CHEM_SPEC"}, {"name": "PACD", "type": "CHEM_SPEC"}, {"name": "PAN", "type": "CHEM_SPEC"}, {"name": "PANX", "type": "CHEM_SPEC"}, {"name": "PAR", "type": "CHEM_SPEC"}, {"name": "PNA", "type": "CHEM_SPEC"}, {"name": "ROOH", "type": "CHEM_SPEC"}, {"name": "ROR", "type": "CHEM_SPEC"}, {"name": "SESQ", "type": "CHEM_SPEC"}, {"name": "SO2", "type": "CHEM_SPEC"}, {"name": "SULF", "type": "CHEM_SPEC"}, {"name": "TERP", "type": "CHEM_SPEC"}, {"name": "TO2", "type": "CHEM_SPEC"}, {"name": "TOL", "type": "CHEM_SPEC"}, {"name": "TOLRO2", "type": "CHEM_SPEC"}, {"name": "XO2", "type": "CHEM_SPEC"}, {"name": "XO2N", "type": "CHEM_SPEC"}, {"name": "XYL", "type": "CHEM_SPEC"}, {"name": "XYLRO2", "type": "CHEM_SPEC"}]}
\ No newline at end of file
+{
+  "camp-data": [
+    {
+      "name": "AACD",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "ALD2",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "ALDX",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "BENZENE",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "BENZRO2",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "C2O3",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "CH4",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "CL",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "CL2",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "CLO",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "CO",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "CRES",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "CRO",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "CXO3",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "ETH",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "ETHA",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "ETOH",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "FACD",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "FMCL",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "FORM",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "H2",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "H2O",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "H2O2",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "HCL",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "HCO3",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "HNO3",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "HO2",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "HOCL",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "HONO",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "IOLE",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "ISOP",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "ISPD",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "M",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "MEO2",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "MEOH",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "MEPX",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "MGLY",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "N2O5",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "NO",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "NO2",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "NO3",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "NTR",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "O",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "O1D",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "O3",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "OH",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "O2",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "OLE",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "OPEN",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "PACD",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "PAN",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "PANX",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "PAR",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "PNA",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "ROOH",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "ROR",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "SESQ",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "SO2",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "SULF",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "TERP",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "TO2",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "TOL",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "TOLRO2",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "XO2",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "XO2N",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "XYL",
+      "type": "CHEM_SPEC"
+    },
+    {
+      "name": "XYLRO2",
+      "type": "CHEM_SPEC"
+    }
+  ]
+}
\ No newline at end of file
diff --git a/examples/example.cpp b/examples/example.cpp
index ae7c93cf1..6f5c31fb9 100644
--- a/examples/example.cpp
+++ b/examples/example.cpp
@@ -183,7 +183,7 @@ InitialConditions readCSVToMap(const std::string& filename)
 
 int main(const int argc, const char *argv[])
 {
-    if (argc < 2)
+    if (argc < 3)
     {
         std::cout << "  path                  Path to the folder holding the configuration data" << std::endl;
         std::cout << "  initial condition     csv file contanining initial condtions" << std::endl;
@@ -219,7 +219,9 @@ int main(const int argc, const char *argv[])
     auto chemical_system = solver_params.system_;
     auto reactions = solver_params.processes_;
 
-    RosenbrockSolver<> solver{ chemical_system, reactions, RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
+    auto params = RosenbrockSolverParameters::three_stage_rosenbrock_parameters();
+    params.relative_tolerance_ = 0.1;
+    RosenbrockSolver<> solver{ chemical_system, reactions, params};
 
     State state = solver.GetState();
 
diff --git a/include/micm/solver/state.hpp b/include/micm/solver/state.hpp
index 06a2e00e7..87d1d204f 100644
--- a/include/micm/solver/state.hpp
+++ b/include/micm/solver/state.hpp
@@ -87,4 +87,4 @@ namespace micm
 
 }  // namespace micm
 
-#include "state.inl"
\ No newline at end of file
+#include "state.inl"
diff --git a/include/micm/solver/state.inl b/include/micm/solver/state.inl
index 750b8baaf..f0b54d121 100644
--- a/include/micm/solver/state.inl
+++ b/include/micm/solver/state.inl
@@ -123,7 +123,7 @@ namespace micm
 
     std::cout << std::setw(5) << "time";
 
-    for(auto& species : variable_names_)
+    for(const auto& [species, index] : variable_map_)
     {
       std::cout << "," << std::setw(width) << species;
     }
@@ -144,9 +144,9 @@ namespace micm
 
     std::cout << std::setw(5) << time << std::flush;
 
-    for(auto& species : variable_names_)
+    for(const auto& [species, index] : variable_map_)
     {
-      std::cout << std::scientific << "," << std::setw(width) << std::setprecision(2) << variables_[0][variable_map_[species]];
+      std::cout << std::scientific << "," << std::setw(width) << std::setprecision(2) << variables_[0][index];
     }
     std::cout << std::endl;
     std::cout.copyfmt(oldState);
diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt
index e24e29012..cfc56e8ef 100644
--- a/test/CMakeLists.txt
+++ b/test/CMakeLists.txt
@@ -4,7 +4,4 @@ set(CMAKE_CXX_CLANG_TIDY "")
 add_subdirectory(unit)
 add_subdirectory(regression)
 add_subdirectory(integration)
-if(ENABLE_JSON)
-add_subdirectory(examples)
-endif()
 add_subdirectory(tutorial)
diff --git a/test/examples/CMakeLists.txt b/test/examples/CMakeLists.txt
deleted file mode 100644
index b3d56dd63..000000000
--- a/test/examples/CMakeLists.txt
+++ /dev/null
@@ -1,7 +0,0 @@
-################################################################################
-# Build example tests
-
-create_standard_test(NAME Chapman SOURCES test_chapman.cpp)
-create_standard_test(NAME carbon_bond_5 SOURCES test_carbon_bond_5.cpp)
-create_standard_test(NAME robertson SOURCES test_robertson.cpp)
-create_standard_test(NAME TS1 SOURCES test_TS1.cpp)
diff --git a/test/examples/test_TS1.cpp b/test/examples/test_TS1.cpp
deleted file mode 100644
index 4ce2e141c..000000000
--- a/test/examples/test_TS1.cpp
+++ /dev/null
@@ -1,216 +0,0 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
-//
-// SPDX-License-Identifier: Apache-2.0
-//
-// Test of the TS1 example mechanism (MZ327_TS1.2_20230307 in the Chemistry Cafe)
-//
-// This only tests that a solver can be built for this mechanism and that it
-// can be run for a given set of initial conditions without solver errors.
-//
-// Comparisons with other chemistry solvers are included in
-// https://github.com/NCAR/MUSICA-Performance-Comparison
-
-#include <gtest/gtest.h>
-
-#include <micm/configure/solver_config.hpp>
-#include <micm/solver/rosenbrock.hpp>
-
-TEST(Examples, TS1)
-{
-  micm::SolverConfig config;
-  std::string config_path = "./examples/configs/TS1";
-  auto status = config.ReadAndParse(config_path);
-  EXPECT_EQ(status, micm::ConfigParseStatus::Success);
-  auto solver_params = config.GetSolverParams();
-  micm::RosenbrockSolver<> solver{ solver_params.system_,
-                                   solver_params.processes_,
-                                   micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
-  micm::State state = solver.GetState();
-
-  const double temperature = 287.45;                             // K
-  const double pressure = 101319.9;                              // Pa
-  const double air_density = pressure / (8.3145 * temperature);  // mol m-3
-
-  state.conditions_[0].temperature_ = temperature;
-  state.conditions_[0].pressure_ = pressure;
-  state.conditions_[0].air_density_ = air_density;
-
-  // TODO: Replace with CAM-Chem conditions when Derecho is back up
-  std::unordered_map<std::string, std::vector<double>> initial_concentrations = {
-    { "O2", { 0.21 * air_density } },       // mol m-3
-    { "N2", { 0.78 * air_density } },       // mol m-3
-    { "HNO3", { 1.0e-9 * air_density } },   // mol m-3
-    { "SO2", { 1.0e-9 * air_density } },    // mol m-3
-    { "CH4", { 1.8e-6 * air_density } },    // mol m-3
-    { "H2O", { 1.0e-3 * air_density } },    // mol m-3
-    { "NO2", { 1.0e-9 * air_density } },    // mol m-3
-    { "NO", { 1.0e-9 * air_density } },     // mol m-3
-    { "OH", { 1.0e-12 * air_density } },    // mol m-3
-    { "CL2", { 1.0e-9 * air_density } },    // mol m-3
-    { "DMS", { 1.0e-9 * air_density } },    // mol m-3
-    { "CO2", { 0.385e-3 * air_density } },  // mol m-3
-    { "H2O2", { 1.0e-9 * air_density } },   // mol m-3
-    { "ISOP", { 1.0e-9 * air_density } },   // mol m-3
-    { "O3", { 50.0e-9 * air_density } },    // mol m-3
-    { "CO", { 1.0e-9 * air_density } },     // mol m-3
-    { "NH3", { 1.0e-9 * air_density } },    // mol m-3
-    { "M", { air_density } }                // mol m-3
-  };
-  state.SetConcentrations(initial_concentrations);
-
-  // std::cout << "custom rate parameters" << std::endl;
-  // for(auto &rc : state.custom_rate_parameter_map_)
-  //   std::cout << "    { \"" << rc.first << "\", { 1.0e-8 } }, // s-1" << std::endl;
-
-  // TODO: Replace with CAM-Chem rate constants when Derecho is back up
-  std::unordered_map<std::string, std::vector<double>> custom_rate_constants = {
-    { "PHOTO.jacet", { 1.0e-8 } },                  // s-1
-    { "PHOTO.jalknit->,jch3ooh", { 1.0e-8 } },      // s-1
-    { "PHOTO.jalkooh->,jch3ooh", { 1.0e-8 } },      // s-1
-    { "PHOTO.jbenzooh->,jch3ooh", { 1.0e-8 } },     // s-1
-    { "PHOTO.jbepomuc->,.10*jno2", { 1.0e-8 } },    // s-1
-    { "PHOTO.jbigald->,0.2*jno2", { 1.0e-8 } },     // s-1
-    { "PHOTO.jbigald1->,.14*jno2", { 1.0e-8 } },    // s-1
-    { "PHOTO.jbigald2->,.20*jno2", { 1.0e-8 } },    // s-1
-    { "PHOTO.jbigald3->,.20*jno2", { 1.0e-8 } },    // s-1
-    { "PHOTO.jbigald4->,.006*jno2", { 1.0e-8 } },   // s-1
-    { "PHOTO.jbrcl", { 1.0e-8 } },                  // s-1
-    { "PHOTO.jbro", { 1.0e-8 } },                   // s-1
-    { "PHOTO.jbrono2_a", { 1.0e-8 } },              // s-1
-    { "PHOTO.jbrono2_b", { 1.0e-8 } },              // s-1
-    { "PHOTO.jbzooh->,jch3ooh", { 1.0e-8 } },       // s-1
-    { "PHOTO.jc2h5ooh->,jch3ooh", { 1.0e-8 } },     // s-1
-    { "PHOTO.jc3h7ooh->,jch3ooh", { 1.0e-8 } },     // s-1
-    { "PHOTO.jc6h5ooh->,jch3ooh", { 1.0e-8 } },     // s-1
-    { "PHOTO.jccl4", { 1.0e-8 } },                  // s-1
-    { "PHOTO.jcf2cl2", { 1.0e-8 } },                // s-1
-    { "PHOTO.jcf2clbr", { 1.0e-8 } },               // s-1
-    { "PHOTO.jcf3br", { 1.0e-8 } },                 // s-1
-    { "PHOTO.jcfc113", { 1.0e-8 } },                // s-1
-    { "PHOTO.jcfc114", { 1.0e-8 } },                // s-1
-    { "PHOTO.jcfc115", { 1.0e-8 } },                // s-1
-    { "PHOTO.jcfcl3", { 1.0e-8 } },                 // s-1
-    { "PHOTO.jch2br2", { 1.0e-8 } },                // s-1
-    { "PHOTO.jch2o_a", { 1.0e-8 } },                // s-1
-    { "PHOTO.jch2o_b", { 1.0e-8 } },                // s-1
-    { "PHOTO.jch3br", { 1.0e-8 } },                 // s-1
-    { "PHOTO.jch3ccl3", { 1.0e-8 } },               // s-1
-    { "PHOTO.jch3cho", { 1.0e-8 } },                // s-1
-    { "PHOTO.jch3cl", { 1.0e-8 } },                 // s-1
-    { "PHOTO.jch3co3h->,0.28*jh2o2", { 1.0e-8 } },  // s-1
-    { "PHOTO.jch3ooh", { 1.0e-8 } },                // s-1
-    { "PHOTO.jch4_a", { 1.0e-8 } },                 // s-1
-    { "PHOTO.jch4_b", { 1.0e-8 } },                 // s-1
-    { "PHOTO.jchbr3", { 1.0e-8 } },                 // s-1
-    { "PHOTO.jcl2", { 1.0e-8 } },                   // s-1
-    { "PHOTO.jcl2o2", { 1.0e-8 } },                 // s-1
-    { "PHOTO.jclo", { 1.0e-8 } },                   // s-1
-    { "PHOTO.jclono2_a", { 1.0e-8 } },              // s-1
-    { "PHOTO.jclono2_b", { 1.0e-8 } },              // s-1
-    { "PHOTO.jco2", { 1.0e-8 } },                   // s-1
-    { "PHOTO.jcof2", { 1.0e-8 } },                  // s-1
-    { "PHOTO.jcofcl", { 1.0e-8 } },                 // s-1
-    { "PHOTO.jeooh->,jch3ooh", { 1.0e-8 } },        // s-1
-    { "PHOTO.jglyald", { 1.0e-8 } },                // s-1
-    { "PHOTO.jglyoxal->,jmgly", { 1.0e-8 } },       // s-1
-    { "PHOTO.jh2402", { 1.0e-8 } },                 // s-1
-    { "PHOTO.jh2o2", { 1.0e-8 } },                  // s-1
-    { "PHOTO.jh2o_a", { 1.0e-8 } },                 // s-1
-    { "PHOTO.jh2o_b", { 1.0e-8 } },                 // s-1
-    { "PHOTO.jh2o_c", { 1.0e-8 } },                 // s-1
-    { "PHOTO.jh2so4", { 1.0e-8 } },                 // s-1
-    { "PHOTO.jhbr", { 1.0e-8 } },                   // s-1
-    { "PHOTO.jhcfc141b", { 1.0e-8 } },              // s-1
-    { "PHOTO.jhcfc142b", { 1.0e-8 } },              // s-1
-    { "PHOTO.jhcfc22", { 1.0e-8 } },                // s-1
-    { "PHOTO.jhcl", { 1.0e-8 } },                   // s-1
-    { "PHOTO.jhf", { 1.0e-8 } },                    // s-1
-    { "PHOTO.jhno3", { 1.0e-8 } },                  // s-1
-    { "PHOTO.jho2no2_a", { 1.0e-8 } },              // s-1
-    { "PHOTO.jho2no2_b", { 1.0e-8 } },              // s-1
-    { "PHOTO.jhobr", { 1.0e-8 } },                  // s-1
-    { "PHOTO.jhocl", { 1.0e-8 } },                  // s-1
-    { "PHOTO.jhonitr->,jch2o_a", { 1.0e-8 } },      // s-1
-    { "PHOTO.jhpald->,.006*jno2", { 1.0e-8 } },     // s-1
-    { "PHOTO.jhyac", { 1.0e-8 } },                  // s-1
-    { "PHOTO.jisopnooh->,jch3ooh", { 1.0e-8 } },    // s-1
-    { "PHOTO.jisopooh->,jch3ooh", { 1.0e-8 } },     // s-1
-    { "PHOTO.jmacr_a", { 1.0e-8 } },                // s-1
-    { "PHOTO.jmacr_b", { 1.0e-8 } },                // s-1
-    { "PHOTO.jmek->,jacet", { 1.0e-8 } },           // s-1
-    { "PHOTO.jmekooh->,jch3ooh", { 1.0e-8 } },      // s-1
-    { "PHOTO.jmgly", { 1.0e-8 } },                  // s-1
-    { "PHOTO.jmpan->,jpan", { 1.0e-8 } },           // s-1
-    { "PHOTO.jmvk", { 1.0e-8 } },                   // s-1
-    { "PHOTO.jn2o", { 1.0e-8 } },                   // s-1
-    { "PHOTO.jn2o5_a", { 1.0e-8 } },                // s-1
-    { "PHOTO.jn2o5_b", { 1.0e-8 } },                // s-1
-    { "PHOTO.jnc4cho->,jch2o_a", { 1.0e-8 } },      // s-1
-    { "PHOTO.jno2", { 1.0e-8 } },                   // s-1
-    { "PHOTO.jno3_a", { 1.0e-8 } },                 // s-1
-    { "PHOTO.jno3_b", { 1.0e-8 } },                 // s-1
-    { "PHOTO.jno=userdefined,", { 1.0e-8 } },       // s-1
-    { "PHOTO.jnoa->,jch2o_a", { 1.0e-8 } },         // s-1
-    { "PHOTO.jnterpooh->,jch3ooh", { 1.0e-8 } },    // s-1
-    { "PHOTO.jo2_a=userdefined,", { 1.0e-8 } },     // s-1
-    { "PHOTO.jo2_b=userdefined,", { 1.0e-8 } },     // s-1
-    { "PHOTO.jo3_a", { 1.0e-8 } },                  // s-1
-    { "PHOTO.jo3_b", { 1.0e-8 } },                  // s-1
-    { "PHOTO.joclo", { 1.0e-8 } },                  // s-1
-    { "PHOTO.jocs", { 1.0e-8 } },                   // s-1
-    { "PHOTO.jonitr->,jch3cho", { 1.0e-8 } },       // s-1
-    { "PHOTO.jpan", { 1.0e-8 } },                   // s-1
-    { "PHOTO.jphenooh->,jch3ooh", { 1.0e-8 } },     // s-1
-    { "PHOTO.jpooh->,jch3ooh", { 1.0e-8 } },        // s-1
-    { "PHOTO.jrooh->,jch3ooh", { 1.0e-8 } },        // s-1
-    { "PHOTO.jsf6", { 1.0e-8 } },                   // s-1
-    { "PHOTO.jso", { 1.0e-8 } },                    // s-1
-    { "PHOTO.jso2", { 1.0e-8 } },                   // s-1
-    { "PHOTO.jso3", { 1.0e-8 } },                   // s-1
-    { "PHOTO.jsoa1_a1->,.0004*jno2", { 1.0e-8 } },  // s-1
-    { "PHOTO.jsoa1_a2->,.0004*jno2", { 1.0e-8 } },  // s-1
-    { "PHOTO.jsoa2_a1->,.0004*jno2", { 1.0e-8 } },  // s-1
-    { "PHOTO.jsoa2_a2->,.0004*jno2", { 1.0e-8 } },  // s-1
-    { "PHOTO.jsoa3_a1->,.0004*jno2", { 1.0e-8 } },  // s-1
-    { "PHOTO.jsoa3_a2->,.0004*jno2", { 1.0e-8 } },  // s-1
-    { "PHOTO.jsoa4_a1->,.0004*jno2", { 1.0e-8 } },  // s-1
-    { "PHOTO.jsoa4_a2->,.0004*jno2", { 1.0e-8 } },  // s-1
-    { "PHOTO.jsoa5_a1->,.0004*jno2", { 1.0e-8 } },  // s-1
-    { "PHOTO.jsoa5_a2->,.0004*jno2", { 1.0e-8 } },  // s-1
-    { "PHOTO.jtepomuc->,.10*jno2", { 1.0e-8 } },    // s-1
-    { "PHOTO.jterp2ooh->,jch3ooh", { 1.0e-8 } },    // s-1
-    { "PHOTO.jterpnit->,jch3ooh", { 1.0e-8 } },     // s-1
-    { "PHOTO.jterpooh->,jch3ooh", { 1.0e-8 } },     // s-1
-    { "PHOTO.jterprd1->,jch3cho", { 1.0e-8 } },     // s-1
-    { "PHOTO.jterprd2->,jch3cho", { 1.0e-8 } },     // s-1
-    { "PHOTO.jtolooh->,jch3ooh", { 1.0e-8 } },      // s-1
-    { "PHOTO.jxooh->,jch3ooh", { 1.0e-8 } },        // s-1
-    { "PHOTO.jxylenooh->,jch3ooh", { 1.0e-8 } },    // s-1
-    { "PHOTO.jxylolooh->,jch3ooh", { 1.0e-8 } },    // s-1
-    { "USER.het1", { 1.0e-8 } },                    // s-1
-    { "USER.het2", { 1.0e-8 } },                    // s-1
-    { "USER.het3", { 1.0e-8 } },                    // s-1
-    { "USER.het4", { 1.0e-8 } },                    // s-1
-    { "USER.het5", { 1.0e-8 } },                    // s-1
-    { "USER.het6", { 1.0e-8 } },                    // s-1
-    { "USER.het7", { 1.0e-8 } },                    // s-1
-    { "USER.het8", { 1.0e-8 } },                    // s-1
-    { "USER.het9", { 1.0e-8 } },                    // s-1
-    { "USER.het10", { 1.0e-8 } },                   // s-1
-    { "USER.het11", { 1.0e-8 } },                   // s-1
-    { "USER.het12", { 1.0e-8 } },                   // s-1
-    { "USER.het13", { 1.0e-8 } },                   // s-1
-    { "USER.het14", { 1.0e-8 } },                   // s-1
-    { "USER.het15", { 1.0e-8 } },                   // s-1
-    { "USER.het16", { 1.0e-8 } },                   // s-1
-    { "USER.het17", { 1.0e-8 } },                   // s-1
-    { "USER.k_co_oh_jpl19", { 1.0e-8 } }            // s-1
-  };
-  state.SetCustomRateParameters(custom_rate_constants);
-
-  double time_step = 150.0;  // s
-
-  auto result = solver.Solve(time_step, state);
-
-  EXPECT_EQ(result.state_, (micm::SolverState::Converged));
-}
\ No newline at end of file
diff --git a/test/examples/test_carbon_bond_5.cpp b/test/examples/test_carbon_bond_5.cpp
deleted file mode 100644
index 1d7a76999..000000000
--- a/test/examples/test_carbon_bond_5.cpp
+++ /dev/null
@@ -1,82 +0,0 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
-//
-// SPDX-License-Identifier: Apache-2.0
-//
-// Test of the TS1 example mechanism (MZ327_TS1.2_20230307 in the Chemistry Cafe)
-//
-// This only tests that a solver can be built for this mechanism and that it
-// can be run for a given set of initial conditions without solver errors.
-//
-// Comparisons with other chemistry solvers are included in
-// https://github.com/NCAR/MUSICA-Performance-Comparison
-
-#include <gtest/gtest.h>
-
-#include <micm/configure/solver_config.hpp>
-#include <micm/solver/rosenbrock.hpp>
-
-TEST(Examples, carbon_bond_5)
-{
-  micm::SolverConfig config;
-  std::string config_path = "./examples/configs/carbon_bond_5";
-  auto status = config.ReadAndParse(config_path);
-  EXPECT_EQ(status, micm::ConfigParseStatus::Success);
-  auto solver_params = config.GetSolverParams();
-  micm::RosenbrockSolver<> solver{ solver_params.system_,
-                                   solver_params.processes_,
-                                   micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
-  micm::State state = solver.GetState();
-
-  const double temperature = 287.45;  // K
-  const double pressure = 101319.9;   // Pa
-  const double air_density = 1e6;     // mol m-3
-
-  state.conditions_[0].temperature_ = temperature;
-  state.conditions_[0].pressure_ = pressure;
-  state.conditions_[0].air_density_ = air_density;
-
-  std::unordered_map<std::string, std::vector<double>> custom_rate_constants = {
-    { "EMIS.NO", { 1.44e-10 } },
-    { "EMIS.NO2", { 7.56e-12 } },
-    { "EMIS.CO", { 1.9600000000000003e-09 } },
-    { "EMIS.SO2", { 1.06e-09 } },
-    { "EMIS.FORM", { 1.02e-11 } },
-    { "EMIS.MEOH", { 5.920000000000001e-13 } },
-    { "EMIS.ALD2", { 4.25e-12 } },
-    { "EMIS.PAR", { 4.27e-10 } },
-    { "EMIS.ETH", { 4.62e-11 } },
-    { "EMIS.OLE", { 1.49e-11 } },
-    { "EMIS.IOLE", { 1.49e-11 } },
-    { "EMIS.TOL", { 1.53e-11 } },
-    { "EMIS.XYL", { 1.4e-11 } },
-    { "EMIS.ISOP", { 6.03e-12 } },
-    { "PHOTO.NO2", { 0.00477 } },
-    { "PHOTO.O3->O1D", { 2.26e-06 } },
-    { "PHOTO.O3->O3P", { 0.00025299999999999997 } },
-    { "PHOTO.NO3->NO2", { 0.11699999999999999 } },
-    { "PHOTO.NO3->NO", { 0.0144 } },
-    { "PHOTO.HONO", { 0.000918 } },
-    { "PHOTO.H2O2", { 2.59e-06 } },
-    { "PHOTO.PNA", { 1.89e-06 } },
-    { "PHOTO.HNO3", { 8.61e-08 } },
-    { "PHOTO.NTR", { 4.77e-07 } },
-    { "PHOTO.ROOH", { 1.81e-06 } },
-    { "PHOTO.MEPX", { 1.81e-06 } },
-    { "PHOTO.FORM->HO2", { 7.93e-06 } },
-    { "PHOTO.FORM->CO", { 2.2e-05 } },
-    { "PHOTO.ALD2", { 2.2e-06 } },
-    { "PHOTO.PACD", { 1.81e-06 } },
-    { "PHOTO.ALDX", { 2.2e-06 } },
-    { "PHOTO.OPEN", { 0.0006450000000000001 } },
-    { "PHOTO.MGLY", { 7.64e-05 } },
-    { "PHOTO.ISPD", { 1.98e-09 } }
-  };
-
-  state.SetCustomRateParameters(custom_rate_constants);
-
-  double time_step = 150.0;  // s
-
-  auto result = solver.Solve(time_step, state);
-
-  EXPECT_EQ(result.state_, (micm::SolverState::Converged));
-}
diff --git a/test/examples/test_chapman.cpp b/test/examples/test_chapman.cpp
deleted file mode 100644
index 2f873f8dd..000000000
--- a/test/examples/test_chapman.cpp
+++ /dev/null
@@ -1,138 +0,0 @@
-#include <micm/configure/solver_config.hpp>
-#include <micm/process/arrhenius_rate_constant.hpp>
-#include <micm/solver/rosenbrock.hpp>
-#include <micm/system/species.hpp>
-
-template<class T>
-using SparseMatrixPolicy = micm::SparseMatrix<T>;
-
-void print_header()
-{
-  std::cout << std::setw(5) << "time"
-            << "," << std::setw(10) << "M"
-            << "," << std::setw(11) << "O2"
-            << "," << std::setw(11) << "O3"
-            << "," << std::setw(11) << "O"
-            << "," << std::setw(11) << "O1D" << std::endl;
-}
-
-template<template<class> class T, template<class> class D>
-void print_state(double time, micm::State<T, D>& state)
-{
-  std::ios oldState(nullptr);
-  oldState.copyfmt(std::cout);
-
-  std::cout << std::setw(5) << time << "," << std::flush;
-
-  std::cout << std::scientific << std::setw(10) << std::setprecision(3) << state.variables_[0][state.variable_map_["M"]]
-            << "," << std::setw(11) << std::setprecision(3) << state.variables_[0][state.variable_map_["O2"]] << ","
-            << std::setw(11) << std::setprecision(3) << state.variables_[0][state.variable_map_["O3"]] << ","
-            << std::setw(11) << std::setprecision(3) << state.variables_[0][state.variable_map_["O"]] << "," << std::setw(11)
-            << std::setprecision(3) << state.variables_[0][state.variable_map_["O1D"]] << std::endl;
-
-  std::cout.copyfmt(oldState);
-}
-
-int main(const int argc, const char* argv[])
-{
-  micm::SolverConfig solver_config;
-
-  // Read and parse the configure files
-  micm::ConfigParseStatus status = solver_config.ReadAndParse("./examples/configs/chapman");
-
-  if (status != micm::ConfigParseStatus::Success)
-  {
-    throw "Parsing failed";
-  }
-
-  micm::SolverParameters solver_params = solver_config.GetSolverParams();
-
-  auto& process_vector = solver_params.processes_;
-
-  // Print reactions from reactions configuration
-  for (int i = 0; i < process_vector.size(); i++)
-  {
-    int n_reactants = process_vector[i].reactants_.size();
-    for (int j = 0; j < n_reactants - 1; j++)
-    {
-      std::cout << process_vector[i].reactants_[j].name_ << " + ";
-    }
-    std::cout << process_vector[i].reactants_[n_reactants - 1].name_;
-
-    std::cout << " --> ";
-
-    int n_products = process_vector[i].products_.size();
-    for (int j = 0; j < n_products - 1; j++)
-    {
-      std::cout << process_vector[i].products_[j].first.name_ << " + ";
-    }
-    std::cout << process_vector[i].products_[n_products - 1].first.name_;
-
-    std::vector<std::string> param_labels = process_vector[i].rate_constant_->CustomParameters();
-    for (int k = 0; k < param_labels.size(); k++)
-    {
-      std::cout << " " << param_labels[k];
-    }
-
-    std::cout << std::endl;
-  }
-
-  auto chemical_system = solver_params.system_;
-  auto reactions = solver_params.processes_;
-
-  micm::RosenbrockSolver<micm::Matrix, SparseMatrixPolicy> solver{
-    chemical_system, reactions, micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters()
-  };
-
-  micm::State state = solver.GetState();
-
-  state.conditions_[0].temperature_ = 227.0;  // K
-  state.conditions_[0].pressure_ = 1200.0;    // Pa
-
-  state.SetCustomRateParameter("PHOTO.R1", 6.0e-11);  // s^-1 j_O2
-  state.SetCustomRateParameter("PHOTO.R3", 1.0e-3);   // s^-1 j_O3
-  state.SetCustomRateParameter("PHOTO.R5", 1.0e-3);   // s^-1 j_O3
-
-  // Define initial concentrations from Seinfeld & Pandis 3e
-  //   and convert to SI units
-  double N_Avogadro = 6.02214076e23;
-  // molecules cm-3 -> mol m-3, z = 30 km, S&P3e table 5.1 p. 121
-  double n_M = 3.1e17 * 1.0e6 / N_Avogadro;
-  double n_O2 = 0.21 * n_M;  // [O2] ~ 0.21 [M]
-  // typical [O3] mid-latitude z ~ 30 km
-  double n_O3 = 2.0e12 * 1.0e6 / N_Avogadro;
-  // [O] / [O3] ~ 3e-5, S&P3e p. 124
-
-  micm::Species M("M");
-  micm::Species O2("O2");
-  micm::Species O3("O3");
-  micm::Species O("O");
-  micm::Species O1D("O1D");
-
-  state.SetConcentration(M, n_M);
-  state.SetConcentration(O2, n_O2);
-  state.SetConcentration(O3, n_O3);
-  state.SetConcentration(O, 0.0);
-  state.SetConcentration(O1D, 0.0);
-
-  double time_step = 3600;  // s
-  int nstep = 24;
-
-  print_header();
-  print_state(0, state);
-
-  for (int i = 0; i < nstep; ++i)
-  {
-    double elapsed_solve_time = 0;
-
-    while (elapsed_solve_time < time_step)
-    {
-      auto result = solver.Solve(time_step - elapsed_solve_time, state);
-      elapsed_solve_time = result.final_time_;
-      state.variables_[0] = result.result_.AsVector();
-    }
-    print_state(time_step * (i + 1), state);
-  }
-
-  return 0;
-}
diff --git a/test/examples/test_robertson.cpp b/test/examples/test_robertson.cpp
deleted file mode 100644
index 7caf63d0c..000000000
--- a/test/examples/test_robertson.cpp
+++ /dev/null
@@ -1,56 +0,0 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
-//
-// SPDX-License-Identifier: Apache-2.0
-//
-// Test of the TS1 example mechanism (MZ327_TS1.2_20230307 in the Chemistry Cafe)
-//
-// This only tests that a solver can be built for this mechanism and that it
-// can be run for a given set of initial conditions without solver errors.
-//
-// Comparisons with other chemistry solvers are included in
-// https://github.com/NCAR/MUSICA-Performance-Comparison
-
-#include <gtest/gtest.h>
-
-#include <micm/configure/solver_config.hpp>
-#include <micm/solver/rosenbrock.hpp>
-
-TEST(Examples, robertson)
-{
-  micm::SolverConfig config;
-  std::string config_path = "./examples/configs/robertson";
-  auto status = config.ReadAndParse(config_path);
-  EXPECT_EQ(status, micm::ConfigParseStatus::Success);
-  auto solver_params = config.GetSolverParams();
-  micm::RosenbrockSolver<> solver{ solver_params.system_,
-                                   solver_params.processes_,
-                                   micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters() };
-  micm::State state = solver.GetState();
-
-  const double temperature = 272.5;  // K
-  const double pressure = 101253.3;  // Pa
-  const double air_density = 1e6;    // mol m-3
-
-  state.conditions_[0].temperature_ = temperature;
-  state.conditions_[0].pressure_ = pressure;
-  state.conditions_[0].air_density_ = air_density;
-
-  std::unordered_map<std::string, std::vector<double>> initial_concentrations = {
-    { "A", { 1.0 } },  // mol m-3
-    { "B", { 0.0 } },  // mol m-3
-    { "C", { 0.0 } },  // mol m-3
-  };
-  state.SetConcentrations(initial_concentrations);
-
-  std::unordered_map<std::string, std::vector<double>> custom_rate_constants = { { "PHOTO.r1", { 0.04 } },
-                                                                                 { "PHOTO.r2", { 3e7 } },
-                                                                                 { "PHOTO.r3", { 1e4 } } };
-
-  state.SetCustomRateParameters(custom_rate_constants);
-
-  double time_step = 200.0;  // s
-
-  auto result = solver.Solve(time_step, state);
-
-  EXPECT_EQ(result.state_, (micm::SolverState::Converged));
-}

From 16ffc6d06bd553d59ae702dfa0175c4f826559d7 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Fri, 1 Dec 2023 12:22:27 -0600
Subject: [PATCH 306/318] using the new state in the tutorials, correcting line
 numbers, doxygen comments

---
 README.md                                     | 34 +++-----
 docs/source/user_guide/jit.rst                | 65 ++++++++-------
 .../source/user_guide/multiple_grid_cells.rst | 81 +++++++++----------
 .../user_guide/rate_constant_tutorial.rst     | 49 +++++------
 .../user_guide/solver_configurations.rst      |  4 +-
 include/micm/process/cuda_process_set.hpp     |  2 +-
 include/micm/process/jit_process_set.hpp      |  2 +-
 include/micm/process/process_set.hpp          |  2 +-
 include/micm/process/rate_constant.hpp        |  1 -
 .../micm/process/surface_rate_constant.hpp    |  2 +-
 .../process/user_defined_rate_constant.hpp    |  2 +-
 include/micm/solver/rosenbrock.hpp            |  6 +-
 include/micm/solver/state.inl                 | 29 +++++--
 include/micm/system/system.hpp                |  2 +-
 test/tutorial/test_README_example.cpp         |  8 +-
 test/tutorial/test_multiple_grid_cells.cpp    | 45 +----------
 ...rate_constants_no_user_defined_by_hand.cpp | 37 +--------
 ..._constants_no_user_defined_with_config.cpp | 37 +--------
 ...st_rate_constants_user_defined_by_hand.cpp | 37 +--------
 ...ate_constants_user_defined_with_config.cpp | 37 +--------
 test/tutorial/test_solver_configuration.cpp   | 31 +------
 21 files changed, 166 insertions(+), 347 deletions(-)

diff --git a/README.md b/README.md
index 4836956df..9ae74e5e3 100644
--- a/README.md
+++ b/README.md
@@ -136,20 +136,12 @@ int main(const int argc, const char *argv[])
   state.conditions_[0].pressure_ = 101319.9;   // Pa
   state.SetConcentration(foo, 20.0);           // mol m-3
 
-  std::cout << std::setw(5) << "time [s]," 
-            << std::setw(13) << "foo, "
-            << std::setw(12) << "bar, "
-            << std::setw(10) << "baz" << std::endl;
+  state.PrintHeader();
   for (int i = 0; i < 10; ++i)
   {
     auto result = solver.Solve(500.0, state);
     state.variables_ = result.result_;
-    std::cout << std::setfill(' ') << std::fixed
-              << std::setw(8) << std::setprecision(2) << i * 500.0 << ", "
-              << std::setw(10) << std::setprecision(4) << state.variables_[0][state.variable_map_["Foo"]] << ", "
-              << std::setw(10) << std::setprecision(4) << state.variables_[0][state.variable_map_["Bar"]] << ", " 
-              << std::setw(10) << std::setprecision(4) << state.variables_[0][state.variable_map_["Baz"]]
-              << std::endl;
+    state.PrintState(i*500);
   }
 
   return 0;
@@ -164,17 +156,17 @@ g++ -o foo_chem foo_chem.cpp -I/usr/local/micm-3.2.0/include -std=c++20
 
 Output:
 ```
-time [s],        foo,        bar,        baz
-    0.00,    11.8435,     5.9048,     1.9070
-  500.00,     6.7920,     9.0460,     3.3173
- 1000.00,     3.8287,    10.7406,     4.2105
- 1500.00,     2.1381,    11.6637,     4.7394
- 2000.00,     1.1879,    12.1695,     5.0425
- 2500.00,     0.6581,    12.4475,     5.2133
- 3000.00,     0.3640,    12.6007,     5.3086
- 3500.00,     0.2011,    12.6851,     5.3616
- 4000.00,     0.1110,    12.7317,     5.3909
- 4500.00,     0.0613,    12.7574,     5.4071
+ time,        Bar,        Baz,        Foo
+    0,   5.90e+00,   1.91e+00,   1.18e+01
+  500,   9.05e+00,   3.32e+00,   6.79e+00
+ 1000,   1.07e+01,   4.21e+00,   3.83e+00
+ 1500,   1.17e+01,   4.74e+00,   2.14e+00
+ 2000,   1.22e+01,   5.04e+00,   1.19e+00
+ 2500,   1.24e+01,   5.21e+00,   6.58e-01
+ 3000,   1.26e+01,   5.31e+00,   3.64e-01
+ 3500,   1.27e+01,   5.36e+00,   2.01e-01
+ 4000,   1.27e+01,   5.39e+00,   1.11e-01
+ 4500,   1.28e+01,   5.41e+00,   6.13e-02
 ```
 # Citation
 
diff --git a/docs/source/user_guide/jit.rst b/docs/source/user_guide/jit.rst
index a0a380685..f9cd2f773 100644
--- a/docs/source/user_guide/jit.rst
+++ b/docs/source/user_guide/jit.rst
@@ -110,34 +110,37 @@ The output will be similar to this:
 
 .. code:: bash
 
-  Jit compile time: 207422864917 nanoseconds
-  Result time: 8593750 nanoseconds
-  JIT result time: 4904666 nanoseconds
-  Result stats: 
-  accepted: 162
-  function_calls: 334
-  jacobian_updates: 162
-  number_of_steps: 172
-  accepted: 162
-  rejected: 0
-  decompositions: 172
-  solves: 516
-  singular: 0
-  total_forcing_time: 339551 nanoseconds
-  total_jacobian_time: 1.60283e+06 nanoseconds
-  total_linear_factor_time: 4.88587e+06 nanoseconds
-  total_linear_solve_time: 928501 nanoseconds
-  JIT result stats: 
-  accepted: 162
-  function_calls: 334
-  jacobian_updates: 162
-  number_of_steps: 172
-  accepted: 162
-  rejected: 0
-  decompositions: 172
-  solves: 516
-  singular: 0
-  total_forcing_time: 317043 nanoseconds
-  total_jacobian_time: 1.57724e+06 nanoseconds
-  total_linear_factor_time: 1.56572e+06 nanoseconds
-  total_linear_solve_time: 630749 nanoseconds 
\ No newline at end of file
+  Jit compile time: 38305334 nanoseconds
+  Standard solve time: 122582 nanoseconds
+  JIT solve time: 96541 nanoseconds
+  Standard solve stats: 
+          accepted: 130
+          function_calls: 260
+          jacobian_updates: 130
+          number_of_steps: 130
+          accepted: 130
+          rejected: 0
+          decompositions: 130
+          solves: 390
+          singular: 0
+          total_update_state_time: 416 nanoseconds
+          total_forcing_time: 14163 nanoseconds
+          total_jacobian_time: 9965 nanoseconds
+          total_linear_factor_time: 24893 nanoseconds
+          total_linear_solve_time: 12842 nanoseconds
+
+  JIT solve stats: 
+          accepted: 130
+          function_calls: 260
+          jacobian_updates: 130
+          number_of_steps: 130
+          accepted: 130
+          rejected: 0
+          decompositions: 130
+          solves: 390
+          singular: 0
+          total_update_state_time: 458 nanoseconds
+          total_forcing_time: 5036 nanoseconds
+          total_jacobian_time: 2168 nanoseconds
+          total_linear_factor_time: 17958 nanoseconds
+          total_linear_solve_time: 7586 nanoseconds
\ No newline at end of file
diff --git a/docs/source/user_guide/multiple_grid_cells.rst b/docs/source/user_guide/multiple_grid_cells.rst
index 4840eca62..749ca5586 100644
--- a/docs/source/user_guide/multiple_grid_cells.rst
+++ b/docs/source/user_guide/multiple_grid_cells.rst
@@ -48,15 +48,14 @@ well as a :cpp:class:`micm::Phase`.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 49-53
+  :lines: 11-15
 
 
 With the species and gas phase, we can define all of our reactions
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 55-71
-
+  :lines: 17-33
 
 Now we can define our RosenbrockSolver. This time we'll form the reactions and chemical system in place.
 Also, notice the ``false`` in our :cpp:class:`micm::RosenbrockSolverParameters`. This tells the solver
@@ -66,7 +65,7 @@ the order the species are added to the gas phase.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 73-75
+  :lines: 35-37
 
 
 Now we need to get a state and set the concentations of each of the species. In the 
@@ -76,25 +75,25 @@ to set the concentrations. Here we will set the concentations by providing the :
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 77-82
+  :lines: 39-44
 
 Then we set the reaction rates by creating a vector that is 3 elements long, one for each grid cell.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 84-89
+  :lines: 46-51
 
 And lastly set the temperature, pressure, and air density for each grid cell.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 91-100
+  :lines: 53-62
 
 Now we are ready to run the simulation.
 
 .. literalinclude:: ../../../test/tutorial/test_multiple_grid_cells.cpp
   :language: cpp
-  :lines: 102-125
+  :lines: 64-86
 
 
 And these are the results.
@@ -103,36 +102,36 @@ And these are the results.
    :header: "time", "grid", "A", "B", "C"
    :widths: 6, 6, 10, 10, 10
 
-   0, 1, 1.00e+00, 0.00e+00, 0.00e+00
-   0, 2, 2.00e+00, 0.00e+00, 0.00e+00
-   0, 3, 5.00e-01, 0.00e+00, 0.00e+00
-   200, 1, 5.35e-01, 4.49e-06, 4.65e-01
-   200, 2, 1.21e+00, 6.01e-06, 7.89e-01
-   200, 3, 2.30e-01, 3.31e-06, 2.70e-01
-   400, 1, 4.50e-01, 3.23e-06, 5.50e-01
-   400, 2, 1.05e+00, 4.42e-06, 9.45e-01
-   400, 3, 1.85e-01, 2.32e-06, 3.15e-01
-   600, 1, 4.00e-01, 2.63e-06, 6.00e-01
-   600, 2, 9.59e-01, 3.65e-06, 1.04e+00
-   600, 3, 1.60e-01, 1.85e-06, 3.40e-01
-   800, 1, 3.64e-01, 2.27e-06, 6.36e-01
-   800, 2, 8.90e-01, 3.18e-06, 1.11e+00
-   800, 3, 1.42e-01, 1.57e-06, 3.58e-01
-   1000, 1, 3.37e-01, 2.01e-06, 6.63e-01
-   1000, 2, 8.35e-01, 2.85e-06, 1.16e+00
-   1000, 3, 1.29e-01, 1.38e-06, 3.71e-01
-   1200, 1, 3.15e-01, 1.82e-06, 6.85e-01
-   1200, 2, 7.91e-01, 2.60e-06, 1.21e+00
-   1200, 3, 1.19e-01, 1.24e-06, 3.81e-01
-   1400, 1, 2.96e-01, 1.67e-06, 7.04e-01
-   1400, 2, 7.54e-01, 2.40e-06, 1.25e+00
-   1400, 3, 1.11e-01, 1.13e-06, 3.89e-01
-   1600, 1, 2.81e-01, 1.55e-06, 7.19e-01
-   1600, 2, 7.21e-01, 2.24e-06, 1.28e+00
-   1600, 3, 1.04e-01, 1.04e-06, 3.96e-01
-   1800, 1, 2.67e-01, 1.45e-06, 7.33e-01
-   1800, 2, 6.93e-01, 2.11e-06, 1.31e+00
-   1800, 3, 9.77e-02, 9.65e-07, 4.02e-01
-   2000, 1, 2.55e-01, 1.37e-06, 7.45e-01
-   2000, 2, 6.68e-01, 2.00e-06, 1.33e+00
-   2000, 3, 9.25e-02, 9.02e-07, 4.07e-01
\ No newline at end of file
+        0,     0,   1.00e+00,   0.00e+00,   0.00e+00
+        0,     1,   2.00e+00,   0.00e+00,   0.00e+00
+        0,     2,   5.00e-01,   0.00e+00,   0.00e+00
+      200,     0,   5.35e-01,   4.49e-06,   4.65e-01
+      200,     1,   1.21e+00,   6.01e-06,   7.89e-01
+      200,     2,   2.30e-01,   3.31e-06,   2.70e-01
+      400,     0,   4.50e-01,   3.23e-06,   5.50e-01
+      400,     1,   1.05e+00,   4.42e-06,   9.45e-01
+      400,     2,   1.85e-01,   2.32e-06,   3.15e-01
+      600,     0,   4.00e-01,   2.63e-06,   6.00e-01
+      600,     1,   9.59e-01,   3.65e-06,   1.04e+00
+      600,     2,   1.60e-01,   1.85e-06,   3.40e-01
+      800,     0,   3.64e-01,   2.27e-06,   6.36e-01
+      800,     1,   8.90e-01,   3.18e-06,   1.11e+00
+      800,     2,   1.42e-01,   1.57e-06,   3.58e-01
+      1000,     0,   3.37e-01,   2.01e-06,   6.63e-01
+      1000,     1,   8.35e-01,   2.85e-06,   1.16e+00
+      1000,     2,   1.29e-01,   1.38e-06,   3.71e-01
+      1200,     0,   3.15e-01,   1.82e-06,   6.85e-01
+      1200,     1,   7.91e-01,   2.60e-06,   1.21e+00
+      1200,     2,   1.19e-01,   1.24e-06,   3.81e-01
+      1400,     0,   2.96e-01,   1.67e-06,   7.04e-01
+      1400,     1,   7.54e-01,   2.40e-06,   1.25e+00
+      1400,     2,   1.11e-01,   1.13e-06,   3.89e-01
+      1600,     0,   2.81e-01,   1.55e-06,   7.19e-01
+      1600,     1,   7.21e-01,   2.24e-06,   1.28e+00
+      1600,     2,   1.04e-01,   1.04e-06,   3.96e-01
+      1800,     0,   2.67e-01,   1.45e-06,   7.33e-01
+      1800,     1,   6.93e-01,   2.11e-06,   1.31e+00
+      1800,     2,   9.77e-02,   9.65e-07,   4.02e-01
+      2000,     0,   2.55e-01,   1.37e-06,   7.45e-01
+      2000,     1,   6.68e-01,   2.00e-06,   1.33e+00
+      2000,     2,   9.25e-02,   9.02e-07,   4.07e-01
\ No newline at end of file
diff --git a/docs/source/user_guide/rate_constant_tutorial.rst b/docs/source/user_guide/rate_constant_tutorial.rst
index 3ac2f6624..2f43c8a11 100644
--- a/docs/source/user_guide/rate_constant_tutorial.rst
+++ b/docs/source/user_guide/rate_constant_tutorial.rst
@@ -71,12 +71,11 @@ rosenbrock solver at the top of the file.
     :language: cpp
     :lines: 1-13
 
-After that, we'll use the ``micm`` namespace and setup a template alias so that we can instantiate the 
-rosenbrock solver.
+After that, we'll use the ``micm`` namespace so that we don't have to repeat it everywhere we need it.
 
   .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
     :language: cpp
-    :lines: 15-22
+    :lines: 14-15
 
 To create a :cpp:class:`micm::RosenbrockSolver`, we have to define a chemical system (:cpp:class:`micm::System`)
 and our reactions, which will be a vector of :cpp:class:`micm::Process` We will use the species to define these.
@@ -91,7 +90,7 @@ and our reactions, which will be a vector of :cpp:class:`micm::Process` We will
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
           :language: cpp
-          :lines: 56-67
+          :lines: 19-30
 
         Now that we have a gas phase and our species, we can start building the reactions. Two things to note are that
         stoichiemtric coefficients for reactants are represented by repeating that product as many times as you need.
@@ -100,13 +99,13 @@ and our reactions, which will be a vector of :cpp:class:`micm::Process` We will
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
           :language: cpp
-          :lines: 69-133
+          :lines: 32-96
         
         And finally we define our chemical system and reactions
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
           :language: cpp
-          :lines: 135-136
+          :lines: 98-99
 
     .. tab-item:: OpenAtmos Configuration reading
 
@@ -115,18 +114,20 @@ and our reactions, which will be a vector of :cpp:class:`micm::Process` We will
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
           :language: cpp
-          :lines: 57-69
+          :lines: 20-32
 
 Now that we have a chemical system and a list of reactions, we can create the RosenbrockSolver.
 There are several ways to configure the solver. Here we are using a three stage solver. More options
-can be found in the :cpp:class:`micm::RosenbrockSolverParameters`
+can be found in the :cpp:class:`micm::RosenbrockSolverParameters` and in the :ref:`Solver Configurations` tutorial.
 
   .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
     :language: cpp
-    :lines: 138-140
+    :lines: 101
 
 The rosenbrock solver will provide us a state, which we can use to set the concentrations,
-custom rate parameters, and temperature and pressure
+custom rate parameters, and temperature and pressure. Note that setting the custom rate paramters is different depending
+on if you define the configuration by hand or read it in. The parser has defaults for the names of the custom parameters
+and when defined by hand we choose these.
 
 .. _Rate constants set concentations:
 
@@ -139,20 +140,20 @@ Initializing the state
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
           :language: cpp
-          :lines: 141-155
+          :lines: 102-116
 
     .. tab-item:: OpenAtmos Configuration reading
 
         .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
           :language: cpp
-          :lines: 75-93
+          :lines: 36-54
 
 
 Finally, we are ready to pick a timestep and solve the system.
 
   .. literalinclude:: ../../../test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
     :language: cpp
-    :lines: 149-173
+    :lines: 118-142
 
 
 This is the output:
@@ -162,14 +163,14 @@ This is the output:
    :header: "time", "A", "B", "C", "D", "E", "F", "G"
    :widths: 10, 15, 15, 15, 15, 15, 15, 15
 
-   "0", "1.00e+00", "0.00e+00", "0.00e+00", "0.00e+00", "0.00e+00", "0.00e+00", "0.00e+00"
-   "500", "3.18e-09", "3.66e-09", "9.83e-01", "3.88e-14", "1.41e-03", "2.02e-13", "7.92e-03"
-   "1000", "1.14e-14", "1.31e-14", "9.66e-01", "1.39e-19", "1.40e-03", "7.24e-19", "1.64e-02"
-   "1500", "4.09e-20", "4.71e-20", "9.49e-01", "4.98e-25", "1.39e-03", "2.59e-24", "2.48e-02"
-   "2000", "1.47e-25", "1.69e-25", "9.33e-01", "1.79e-30", "1.38e-03", "9.30e-30", "3.30e-02"
-   "2500", "5.26e-31", "6.05e-31", "9.17e-01", "6.40e-36", "1.37e-03", "3.33e-35", "4.11e-02"
-   "3000", "1.89e-36", "2.17e-36", "9.01e-01", "2.30e-41", "1.36e-03", "1.20e-40", "4.90e-02"
-   "3500", "6.77e-42", "7.78e-42", "8.85e-01", "8.23e-47", "1.34e-03", "4.29e-46", "5.68e-02"
-   "4000", "2.43e-47", "2.79e-47", "8.70e-01", "2.95e-52", "1.33e-03", "1.54e-51", "6.44e-02"
-   "4500", "8.70e-53", "1.00e-52", "8.55e-01", "1.06e-57", "1.32e-03", "5.51e-57", "7.20e-02"
-   "5000", "3.12e-58", "3.59e-58", "8.40e-01", "3.80e-63", "1.31e-03", "1.98e-62", "7.94e-02"
+      0,   1.00e+00,   0.00e+00,   0.00e+00,   0.00e+00,   0.00e+00,   0.00e+00,   0.00e+00
+    500,   3.18e-09,   3.66e-09,   9.83e-01,   3.88e-14,   1.41e-03,   2.02e-13,   7.92e-03
+    1000,   1.14e-14,   1.31e-14,   9.66e-01,   1.39e-19,   1.40e-03,   7.24e-19,   1.64e-02
+    1500,   4.09e-20,   4.71e-20,   9.49e-01,   4.98e-25,   1.39e-03,   2.59e-24,   2.48e-02
+    2000,   1.47e-25,   1.69e-25,   9.33e-01,   1.79e-30,   1.38e-03,   9.30e-30,   3.30e-02
+    2500,   5.26e-31,   6.05e-31,   9.17e-01,   6.40e-36,   1.37e-03,   3.33e-35,   4.11e-02
+    3000,   1.89e-36,   2.17e-36,   9.01e-01,   2.30e-41,   1.36e-03,   1.20e-40,   4.90e-02
+    3500,   6.77e-42,   7.78e-42,   8.85e-01,   8.23e-47,   1.34e-03,   4.29e-46,   5.68e-02
+    4000,   2.43e-47,   2.79e-47,   8.70e-01,   2.95e-52,   1.33e-03,   1.54e-51,   6.44e-02
+    4500,   8.70e-53,   1.00e-52,   8.55e-01,   1.06e-57,   1.32e-03,   5.51e-57,   7.20e-02
+    5000,   3.12e-58,   3.59e-58,   8.40e-01,   3.80e-63,   1.31e-03,   1.98e-62,   7.94e-02
diff --git a/docs/source/user_guide/solver_configurations.rst b/docs/source/user_guide/solver_configurations.rst
index ecde3e0b3..54842a7ef 100644
--- a/docs/source/user_guide/solver_configurations.rst
+++ b/docs/source/user_guide/solver_configurations.rst
@@ -45,14 +45,14 @@ Configuring the rosenbrock solver is as easy as providing the solver with a set
 
 .. literalinclude:: ../../../test/tutorial/test_solver_configuration.cpp
   :language: cpp
-  :lines: 147-165
+  :lines: 121-133
 
 After that, the usage is the same as a regular solver. A templated method was used here to run the same solving code
 for each of the different solver configurations.
 
 .. literalinclude:: ../../../test/tutorial/test_solver_configuration.cpp
   :language: cpp
-  :lines: 34-116
+  :lines: 10-90
 
 Running this program should give an output similar to this:
 
diff --git a/include/micm/process/cuda_process_set.hpp b/include/micm/process/cuda_process_set.hpp
index 39e8e5c08..4217e7cdc 100644
--- a/include/micm/process/cuda_process_set.hpp
+++ b/include/micm/process/cuda_process_set.hpp
@@ -15,7 +15,7 @@ namespace micm
    public:
     /// @brief Create a process set calculator for a given set of processes
     /// @param processes Processes to create calculator for
-    /// @param state Solver state
+    /// @param variable_map A mapping of species names to concentration index
     CudaProcessSet(const std::vector<Process>& processes, const std::map<std::string, std::size_t>& variable_map);
 
     template<template<class> typename MatrixPolicy>
diff --git a/include/micm/process/jit_process_set.hpp b/include/micm/process/jit_process_set.hpp
index fdb21e226..5aac29b9c 100644
--- a/include/micm/process/jit_process_set.hpp
+++ b/include/micm/process/jit_process_set.hpp
@@ -35,7 +35,7 @@ namespace micm
     /// @brief Create a JITed process set calculator for a given set of processes
     /// @param compiler JIT compiler
     /// @param processes Processes to create calculator for
-    /// @param state Solver state
+    /// @param variable_map A mapping of species names to concentration index
     JitProcessSet(
         std::shared_ptr<JitCompiler> compiler,
         const std::vector<Process> &processes,
diff --git a/include/micm/process/process_set.hpp b/include/micm/process/process_set.hpp
index db1250a68..53bf1fbbf 100644
--- a/include/micm/process/process_set.hpp
+++ b/include/micm/process/process_set.hpp
@@ -29,7 +29,7 @@ namespace micm
 
     /// @brief Create a process set calculator for a given set of processes
     /// @param processes Processes to create calculator for
-    /// @param StateParameters Solver state
+    /// @param variable_map A mapping of species names to concentration index
     ProcessSet(const std::vector<Process>& processes, const std::map<std::string, std::size_t>& variable_map);
 
     /// @brief Return the full set of non-zero Jacobian elements for the set of processes
diff --git a/include/micm/process/rate_constant.hpp b/include/micm/process/rate_constant.hpp
index 2dd82e9eb..77be53503 100644
--- a/include/micm/process/rate_constant.hpp
+++ b/include/micm/process/rate_constant.hpp
@@ -38,7 +38,6 @@ namespace micm
 
     /// @brief Calculate the rate constant for a set of conditions
     /// @param conditions The current environmental conditions of the chemical system
-    /// @param custom_parameters User defined rate constant parameters
     /// @return The reaction rate constant
     virtual double calculate(const Conditions& conditions) const
     {
diff --git a/include/micm/process/surface_rate_constant.hpp b/include/micm/process/surface_rate_constant.hpp
index a72786504..8049d3846 100644
--- a/include/micm/process/surface_rate_constant.hpp
+++ b/include/micm/process/surface_rate_constant.hpp
@@ -34,7 +34,7 @@ namespace micm
     double mean_free_speed_factor_;  // 8 * gas_constant / ( pi * molecular_weight )  [K-1]
 
     /// @brief
-    /// @param name A name for this reaction
+    /// @param parameters The data required to build this class
     SurfaceRateConstant(const SurfaceRateConstantParameters& parameters);
 
     /// @brief Deep copy
diff --git a/include/micm/process/user_defined_rate_constant.hpp b/include/micm/process/user_defined_rate_constant.hpp
index fbaf1475f..480c6f407 100644
--- a/include/micm/process/user_defined_rate_constant.hpp
+++ b/include/micm/process/user_defined_rate_constant.hpp
@@ -26,7 +26,7 @@ namespace micm
     UserDefinedRateConstant();
 
     /// @brief
-    /// @param name A name for this reaction
+    /// @param parameters The data needed to build this class
     UserDefinedRateConstant(const UserDefinedRateConstantParameters& parameters);
 
     /// @brief Deep copy
diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index 9322180aa..ab1bc21f9 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -198,7 +198,7 @@ namespace micm
     /// @param gamma time step factor for specific rosenbrock method
     /// @param singular indicates if the matrix is singular
     /// @param number_densities constituent concentration (molec/cm^3)
-    /// @param rate_constants Rate constants for each process (molecule/cm3)^(n-1) s-1
+    /// @param state The current State
     void LinearFactor(
         double& H,
         const double gamma,
@@ -209,8 +209,8 @@ namespace micm
 
    protected:
     /// @brief Computes the scaled norm of the vector errors
-    /// @param Y the original vector
-    /// @param Ynew the new vector
+    /// @param y the original vector
+    /// @param y_new the new vector
     /// @param errors The computed errors
     /// @return
     double
diff --git a/include/micm/solver/state.inl b/include/micm/solver/state.inl
index f0b54d121..96be1d2b0 100644
--- a/include/micm/solver/state.inl
+++ b/include/micm/solver/state.inl
@@ -121,7 +121,10 @@ namespace micm
     int largest_str_size = largest_str_iter->size();
     int width = (largest_str_size < 10) ? 11 : largest_str_size + 2;
 
-    std::cout << std::setw(5) << "time";
+    std::cout << std::setw(6) << "time";
+    if (variables_.size() > 1) {
+      std::cout << "," << std::setw(6) << "grid";
+    }
 
     for(const auto& [species, index] : variable_map_)
     {
@@ -142,14 +145,26 @@ namespace micm
     int largest_str_size = largest_str_iter->size();
     int width = (largest_str_size < 10) ? 11 : largest_str_size + 2;
 
-    std::cout << std::setw(5) << time << std::flush;
 
-    for(const auto& [species, index] : variable_map_)
-    {
-      std::cout << std::scientific << "," << std::setw(width) << std::setprecision(2) << variables_[0][index];
+    for(size_t i = 0; i < variables_.size(); ++i) {
+      std::cout << std::setw(6) << time << ",";
+
+      if (variables_.size() > 1) {
+        std::cout << std::setw(6) << i << ",";
+      }
+
+      bool first = true;
+      for(const auto& [species, index] : variable_map_)
+      {
+        if (!first) {
+          std::cout << ",";
+        }
+        std::cout << std::scientific << std::setw(width) << std::setprecision(2) << variables_[i][index];
+        first = false;
+      }
+      std::cout << std::endl;
+      std::cout.copyfmt(oldState);
     }
-    std::cout << std::endl;
-    std::cout.copyfmt(oldState);
   }
 
 }  // namespace micm
diff --git a/include/micm/system/system.hpp b/include/micm/system/system.hpp
index c0b881b0f..e1461190f 100644
--- a/include/micm/system/system.hpp
+++ b/include/micm/system/system.hpp
@@ -84,7 +84,7 @@ namespace micm
     std::vector<std::string> UniqueNames() const;
 
     /// @brief Returns a set of unique species names
-    /// @param reordering Function used to apply specific order to unique names
+    /// @param f Function used to apply specific order to unique names
     /// @return vector of unique state variable names
     std::vector<std::string> UniqueNames(
         const std::function<std::string(const std::vector<std::string>& variables, const std::size_t i)> f) const;
diff --git a/test/tutorial/test_README_example.cpp b/test/tutorial/test_README_example.cpp
index f84e9df59..bdc03ea1c 100644
--- a/test/tutorial/test_README_example.cpp
+++ b/test/tutorial/test_README_example.cpp
@@ -37,16 +37,12 @@ int main(const int argc, const char *argv[])
   state.conditions_[0].pressure_ = 101319.9;   // Pa
   state.SetConcentration(foo, 20.0);           // mol m-3
 
-  std::cout << std::setw(5) << "time [s]," << std::setw(13) << "foo, " << std::setw(12) << "bar, " << std::setw(10) << "baz"
-            << std::endl;
+  state.PrintHeader();
   for (int i = 0; i < 10; ++i)
   {
     auto result = solver.Solve(500.0, state);
     state.variables_ = result.result_;
-    std::cout << std::setfill(' ') << std::fixed << std::setw(8) << std::setprecision(2) << i * 500.0 << ", "
-              << std::setw(10) << std::setprecision(4) << state.variables_[0][state.variable_map_["Foo"]] << ", "
-              << std::setw(10) << std::setprecision(4) << state.variables_[0][state.variable_map_["Bar"]] << ", "
-              << std::setw(10) << std::setprecision(4) << state.variables_[0][state.variable_map_["Baz"]] << std::endl;
+    state.PrintState(i*500);
   }
 
   return 0;
diff --git a/test/tutorial/test_multiple_grid_cells.cpp b/test/tutorial/test_multiple_grid_cells.cpp
index a922e4caa..55a8cafd3 100644
--- a/test/tutorial/test_multiple_grid_cells.cpp
+++ b/test/tutorial/test_multiple_grid_cells.cpp
@@ -6,44 +6,6 @@
 // Use our namespace so that this example is easier to read
 using namespace micm;
 
-void print_header()
-{
-  std::cout << std::setw(5) << "time"
-            << "," << std::setw(5) << "grid"
-            << "," << std::setw(10) << "A"
-            << "," << std::setw(10) << "B"
-            << "," << std::setw(10) << "C" << std::endl;
-}
-
-template<template<class> class T, template<class> class D>
-void print_state(double time, State<T, D>& state)
-{
-  std::ios oldState(nullptr);
-  oldState.copyfmt(std::cout);
-
-  std::cout << std::setw(5) << time << ",";
-  std::cout << std::scientific << std::setprecision(2) << std::setw(6) << "1," << std::setw(10)
-            << state.variables_[0][state.variable_map_["A"]] << "," << std::setw(10)
-            << state.variables_[0][state.variable_map_["B"]] << "," << std::setw(10)
-            << state.variables_[0][state.variable_map_["C"]] << std::endl;
-
-  std::cout.copyfmt(oldState);
-  std::cout << std::setw(5) << time << ",";
-  std::cout << std::scientific << std::setprecision(2) << std::setw(6) << "2," << std::setw(10)
-            << state.variables_[1][state.variable_map_["A"]] << "," << std::setw(10)
-            << state.variables_[1][state.variable_map_["B"]] << "," << std::setw(10)
-            << state.variables_[1][state.variable_map_["C"]] << std::endl;
-
-  std::cout.copyfmt(oldState);
-  std::cout << std::setw(5) << time << ",";
-  std::cout << std::scientific << std::setprecision(2) << std::setw(6) << "3," << std::setw(10)
-            << state.variables_[2][state.variable_map_["A"]] << "," << std::setw(10)
-            << state.variables_[2][state.variable_map_["B"]] << "," << std::setw(10)
-            << state.variables_[2][state.variable_map_["C"]] << std::endl;
-
-  std::cout.copyfmt(oldState);
-}
-
 int main()
 {
   auto a = micm::Species("A");
@@ -102,8 +64,8 @@ int main()
   // choose a timestep and print the initial state
   double time_step = 200;  // s
 
-  print_header();
-  print_state(0, state);
+  state.PrintHeader();
+  state.PrintState(0);
 
   // solve for ten iterations
   for (int i = 0; i < 10; ++i)
@@ -120,7 +82,6 @@ int main()
       elapsed_solve_time = result.final_time_;
       state.variables_ = result.result_;
     }
-
-    print_state(time_step * (i + 1), state);
+    state.PrintState(time_step * (i + 1));
   }
 }
\ No newline at end of file
diff --git a/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp b/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
index 22aff99b3..c9e6ded20 100644
--- a/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
+++ b/test/tutorial/test_rate_constants_no_user_defined_by_hand.cpp
@@ -14,37 +14,6 @@
 // Use our namespace so that this example is easier to read
 using namespace micm;
 
-void print_header()
-{
-  std::cout << std::setw(5) << "time"
-            << "," << std::setw(11) << "A"
-            << "," << std::setw(10) << "B"
-            << "," << std::setw(10) << "C"
-            << "," << std::setw(10) << "D"
-            << "," << std::setw(10) << "E"
-            << "," << std::setw(10) << "F"
-            << "," << std::setw(10) << "G" << std::endl;
-}
-
-template<template<class> class T>
-void print_state(double time, State<T>& state)
-{
-  std::ios oldState(nullptr);
-  oldState.copyfmt(std::cout);
-
-  std::cout << std::setw(5) << time << ", " << std::flush;
-
-  std::cout << std::scientific << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["A"]]
-            << "," << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["B"]] << ","
-            << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["C"]] << "," << std::setw(10)
-            << std::setprecision(2) << state.variables_[0][state.variable_map_["D"]] << "," << std::setw(10)
-            << std::setprecision(2) << state.variables_[0][state.variable_map_["E"]] << "," << std::setw(10)
-            << std::setprecision(2) << state.variables_[0][state.variable_map_["F"]] << "," << std::setw(10)
-            << std::setprecision(2) << state.variables_[0][state.variable_map_["G"]] << std::endl;
-
-  std::cout.copyfmt(oldState);
-}
-
 int main(const int argc, const char* argv[])
 {
   auto a = Species("A");
@@ -149,8 +118,8 @@ int main(const int argc, const char* argv[])
   // choose a timestep and print the initial state
   double time_step = 500;  // s
 
-  print_header();
-  print_state(0, state);
+  state.PrintHeader();
+  state.PrintState(0);
 
   // solve for ten iterations
   for (int i = 0; i < 10; ++i)
@@ -169,7 +138,7 @@ int main(const int argc, const char* argv[])
       state.variables_ = result.result_;
     }
 
-    print_state(time_step * (i + 1), state);
+    state.PrintState(time_step * (i + 1));
   }
 
   return 0;
diff --git a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
index b4842c179..41eed7591 100644
--- a/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
+++ b/test/tutorial/test_rate_constants_no_user_defined_with_config.cpp
@@ -15,37 +15,6 @@
 // Use our namespace so that this example is easier to read
 using namespace micm;
 
-void print_header()
-{
-  std::cout << std::setw(5) << "time"
-            << "," << std::setw(10) << "A"
-            << "," << std::setw(9) << "B"
-            << "," << std::setw(9) << "C"
-            << "," << std::setw(9) << "D"
-            << "," << std::setw(9) << "E"
-            << "," << std::setw(9) << "F"
-            << "," << std::setw(10) << "G" << std::endl;
-}
-
-template<template<class> class T>
-void print_state(double time, State<T>& state)
-{
-  std::ios oldState(nullptr);
-  oldState.copyfmt(std::cout);
-
-  std::cout << std::setw(5) << time << ", " << std::flush;
-
-  std::cout << std::scientific << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["A"]]
-            << "," << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["B"]] << ","
-            << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["C"]] << "," << std::setw(10)
-            << std::setprecision(2) << state.variables_[0][state.variable_map_["D"]] << "," << std::setw(10)
-            << std::setprecision(2) << state.variables_[0][state.variable_map_["E"]] << "," << std::setw(10)
-            << std::setprecision(2) << state.variables_[0][state.variable_map_["F"]] << "," << std::setw(10)
-            << std::setprecision(2) << state.variables_[0][state.variable_map_["G"]] << std::endl;
-
-  std::cout.copyfmt(oldState);
-}
-
 int main(const int argc, const char* argv[])
 {
   SolverConfig solverConfig;
@@ -87,8 +56,8 @@ int main(const int argc, const char* argv[])
   // choose a timestep and print the initial state
   double time_step = 500;  // s
 
-  print_header();
-  print_state(0, state);
+  state.PrintHeader();
+  state.PrintState(0);
 
   // solve for ten iterations
   for (int i = 0; i < 10; ++i)
@@ -107,7 +76,7 @@ int main(const int argc, const char* argv[])
       state.variables_ = result.result_;
     }
 
-    print_state(time_step * (i + 1), state);
+    state.PrintState(time_step * (i + 1));
   }
 
   return 0;
diff --git a/test/tutorial/test_rate_constants_user_defined_by_hand.cpp b/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
index 370a5acfd..2cb50810b 100644
--- a/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
+++ b/test/tutorial/test_rate_constants_user_defined_by_hand.cpp
@@ -15,37 +15,6 @@
 // Use our namespace so that this example is easier to read
 using namespace micm;
 
-void print_header()
-{
-  std::cout << std::setw(5) << "time"
-            << "," << std::setw(11) << "A"
-            << "," << std::setw(10) << "B"
-            << "," << std::setw(10) << "C"
-            << "," << std::setw(10) << "D"
-            << "," << std::setw(10) << "E"
-            << "," << std::setw(10) << "F"
-            << "," << std::setw(10) << "G" << std::endl;
-}
-
-template<template<class> class T, template<class> class D>
-void print_state(double time, State<T, D>& state)
-{
-  std::ios oldState(nullptr);
-  oldState.copyfmt(std::cout);
-
-  std::cout << std::setw(5) << time << ", " << std::flush;
-
-  std::cout << std::scientific << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["A"]]
-            << "," << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["B"]] << ","
-            << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["C"]] << "," << std::setw(10)
-            << std::setprecision(2) << state.variables_[0][state.variable_map_["D"]] << "," << std::setw(10)
-            << std::setprecision(2) << state.variables_[0][state.variable_map_["E"]] << "," << std::setw(10)
-            << std::setprecision(2) << state.variables_[0][state.variable_map_["F"]] << "," << std::setw(10)
-            << std::setprecision(2) << state.variables_[0][state.variable_map_["G"]] << std::endl;
-
-  std::cout.copyfmt(oldState);
-}
-
 int main(const int argc, const char* argv[])
 {
   auto a = Species("A");
@@ -166,8 +135,8 @@ int main(const int argc, const char* argv[])
   // choose and timestep a print the initial state
   double time_step = 500;  // s
 
-  print_header();
-  print_state(0, state);
+  state.PrintHeader();
+  state.PrintState(0);
 
   double photo_rate = 1e-10;
   double emission_rate = 1e-20;
@@ -194,7 +163,7 @@ int main(const int argc, const char* argv[])
       state.variables_ = result.result_;
     }
 
-    print_state(time_step * (i + 1), state);
+    state.PrintState(time_step * (i + 1));
     photo_rate *= 1.5;
   }
 
diff --git a/test/tutorial/test_rate_constants_user_defined_with_config.cpp b/test/tutorial/test_rate_constants_user_defined_with_config.cpp
index c9fd6bb53..804b68708 100644
--- a/test/tutorial/test_rate_constants_user_defined_with_config.cpp
+++ b/test/tutorial/test_rate_constants_user_defined_with_config.cpp
@@ -15,37 +15,6 @@
 // Use our namespace so that this example is easier to read
 using namespace micm;
 
-void print_header()
-{
-  std::cout << std::setw(5) << "time"
-            << "," << std::setw(10) << "A"
-            << "," << std::setw(9) << "B"
-            << "," << std::setw(9) << "C"
-            << "," << std::setw(9) << "D"
-            << "," << std::setw(9) << "E"
-            << "," << std::setw(9) << "F"
-            << "," << std::setw(10) << "G" << std::endl;
-}
-
-template<template<class> class T, template<class> class D>
-void print_state(double time, State<T, D>& state)
-{
-  std::ios oldState(nullptr);
-  oldState.copyfmt(std::cout);
-
-  std::cout << std::setw(5) << time << ", " << std::flush;
-
-  std::cout << std::scientific << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["A"]]
-            << "," << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["B"]] << ","
-            << std::setw(10) << std::setprecision(2) << state.variables_[0][state.variable_map_["C"]] << "," << std::setw(10)
-            << std::setprecision(2) << state.variables_[0][state.variable_map_["D"]] << "," << std::setw(10)
-            << std::setprecision(2) << state.variables_[0][state.variable_map_["E"]] << "," << std::setw(10)
-            << std::setprecision(2) << state.variables_[0][state.variable_map_["F"]] << "," << std::setw(10)
-            << std::setprecision(2) << state.variables_[0][state.variable_map_["G"]] << std::endl;
-
-  std::cout.copyfmt(oldState);
-}
-
 int main(const int argc, const char* argv[])
 {
   SolverConfig solverConfig;
@@ -87,8 +56,8 @@ int main(const int argc, const char* argv[])
   // choose a timestep a print the initial state
   double time_step = 500;  // s
 
-  print_header();
-  print_state(0, state);
+  state.PrintHeader();
+  state.PrintState(0);
 
   double photo_rate = 1e-10;
   double emission_rate = 1e-20;
@@ -115,7 +84,7 @@ int main(const int argc, const char* argv[])
       state.variables_ = result.result_;
     }
 
-    print_state(time_step * (i + 1), state);
+    state.PrintState(time_step * (i + 1));
     photo_rate *= 1.5;
   }
 
diff --git a/test/tutorial/test_solver_configuration.cpp b/test/tutorial/test_solver_configuration.cpp
index 5e45635d3..a628c5ff7 100644
--- a/test/tutorial/test_solver_configuration.cpp
+++ b/test/tutorial/test_solver_configuration.cpp
@@ -7,30 +7,7 @@
 // Use our namespace so that this example is easier to read
 using namespace micm;
 
-void print_header()
-{
-  std::cout << std::setw(5) << "time"
-            << "," << std::setw(10) << "A"
-            << "," << std::setw(10) << "B"
-            << "," << std::setw(10) << "C" << std::endl;
-}
-
-template<template<class> class T, template<class> class D>
-void print_state(double time, State<T, D>& state)
-{
-  std::ios oldState(nullptr);
-  oldState.copyfmt(std::cout);
-
-  std::cout << std::setw(5) << time << ",";
-  std::cout << std::scientific << std::setprecision(2) << std::setw(10) << state.variables_[0][state.variable_map_["A"]]
-            << "," << std::setw(10) << state.variables_[0][state.variable_map_["B"]] << "," << std::setw(10)
-            << state.variables_[0][state.variable_map_["C"]] << std::endl;
-
-  std::cout.copyfmt(oldState);
-}
-
-template<typename T>
-void test_solver_type(T solver)
+void test_solver_type(auto& solver)
 {
   auto state = solver.GetState();
 
@@ -55,8 +32,8 @@ void test_solver_type(T solver)
   // choose a timestep and print the initial state
   double time_step = 200;  // s
 
-  print_header();
-  print_state(0, state);
+  state.PrintHeader();
+  state.PrintState(0);
 
   SolverStats total_stats;
   std::chrono::duration<double, std::nano> total_solve_time = std::chrono::nanoseconds::zero();
@@ -94,7 +71,7 @@ void test_solver_type(T solver)
       state.variables_ = result.result_;
     }
 
-    print_state(time_step * (i + 1), state);
+    state.PrintState(time_step * (i + 1));
   }
   std::cout << "Total solve time: " << total_solve_time.count() << " nanoseconds" << std::endl;
   std::cout << "accepted: " << total_stats.accepted << std::endl;

From 897374219bc845e4fac20af69c394cf5f9c49ccb Mon Sep 17 00:00:00 2001
From: GitHub Actions <actions@github.com>
Date: Fri, 1 Dec 2023 18:37:21 +0000
Subject: [PATCH 307/318] Auto-format code using Clang-Format

---
 test/tutorial/test_README_example.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/test/tutorial/test_README_example.cpp b/test/tutorial/test_README_example.cpp
index bdc03ea1c..f13ef08cb 100644
--- a/test/tutorial/test_README_example.cpp
+++ b/test/tutorial/test_README_example.cpp
@@ -42,7 +42,7 @@ int main(const int argc, const char *argv[])
   {
     auto result = solver.Solve(500.0, state);
     state.variables_ = result.result_;
-    state.PrintState(i*500);
+    state.PrintState(i * 500);
   }
 
   return 0;

From a6f96467fd02b2b01c766ae70011ed77680cc9cd Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Fri, 1 Dec 2023 13:37:05 -0600
Subject: [PATCH 308/318] trying a different filter (#382)

---
 .github/workflows/clang_format.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/clang_format.yml b/.github/workflows/clang_format.yml
index bc75fa61d..d5e3131c6 100644
--- a/.github/workflows/clang_format.yml
+++ b/.github/workflows/clang_format.yml
@@ -24,7 +24,7 @@ jobs:
         run: |
           find include -type f \( -name '*.hpp' -o -name '*.h' \) -exec clang-format -i --style=file {} +
           find src -type f \( -name '*.cu' -o -name '*.hpp' -o -name '*.h' -o -name '*.cpp' \) -exec clang-format -i --style=file {} +
-          find test -not -path "./test/tutorial/*" -type f \( -name '*.hpp' -o -name '*.h' -o -name '*.cpp' \) -exec clang-format -i --style=file {} +
+          find test -type f \( -name '*.hpp' -o -name '*.h' -o -name '*.cpp' \) ! -path 'test/tutorial/*' -exec clang-format -i --style=file {} +
 
       - name: Check for changes
         id: check-changes

From b5025ea523c4b0c94f535bba2fc37ba854903025 Mon Sep 17 00:00:00 2001
From: Matt Dawson <mattdawson@ucar.edu>
Date: Fri, 1 Dec 2023 11:37:54 -0800
Subject: [PATCH 309/318] Develop 374 examples (#381)

* add examples to tests

* update chapman example conditions and docs

* fix quotes on cerr string
---
 README.md                                     |  28 +-
 docs/source/getting_started.rst               |  43 +-
 examples/CMakeLists.txt                       |  18 +-
 examples/configs/TS1/initial_conditions.csv   |   2 +
 .../carbon_bond_5/initial_conditions.csv      | 411 +++---------------
 .../configs/chapman/initial_conditions.csv    |  21 +-
 examples/example.cpp                          |  61 ++-
 7 files changed, 198 insertions(+), 386 deletions(-)

diff --git a/README.md b/README.md
index 9ae74e5e3..09b9ff62a 100644
--- a/README.md
+++ b/README.md
@@ -84,7 +84,33 @@ cd /build/
 make test
 ```
 
-# Using MICM
+# Using the MICM executable
+
+A simple driver for MICM is built with the library and can be used to solve a
+chemical system for given initial conditions over one time step.
+
+Just pass the driver the path to the folder containing a valid JSON
+mechanism configuration and the path to a CSV file holding the initial
+conditions.
+
+Several example mechanisms and sets of conditions can be found in the
+`/examples/configs/` folder.
+
+You can use them like this:
+
+```
+micm examples/configs/chapman examples/configs/chapman/initial_conditions.csv
+```
+
+The output should be:
+
+```
+ time,          O,        O1D,         O2,         O3
+    0,   0.00e+00,   0.00e+00,   7.50e-01,   8.10e-06
+   60,   2.57e-12,   3.49e-22,   7.50e-01,   8.10e-06
+```
+
+# Using the MICM API
 
 The following example solves the fictitious chemical system:
 
diff --git a/docs/source/getting_started.rst b/docs/source/getting_started.rst
index cf1ce1d07..103e9e3e3 100644
--- a/docs/source/getting_started.rst
+++ b/docs/source/getting_started.rst
@@ -64,35 +64,35 @@ Build and run the image::
 
 If you would like, you can ssh into a running docker container and edit the files there.
 
-GPU
----
+Run an Example
+--------------
 
-NCAR Hardware
-^^^^^^^^^^^^^
+MICM Executable Example
+^^^^^^^^^^^^^^^^^^^^^^^
 
-On Cheyenne
-^^^^^^^^^^^
+A simple driver for MICM is built with the library and can be used to solve a
+chemical system for given initial conditions over one time step.
 
-On Casper
-^^^^^^^^^
+Just pass the driver the path to the folder containing a valid JSON
+mechanism configuration and the path to a CSV file holding the initial
+conditions.
 
-On Gust and Derecho
-^^^^^^^^^^^^^^^^^^^
+Several example mechanisms and sets of conditions can be found in the
+``/examples/configs/`` folder.
 
-To compile and test on gust::
+You can use them like this::
 
-    $ qinteractive -A NTDD0005 --ngpus=1
-    $ module load cmake/3.25.2 nvhpc/23.1 cuda/11.7.1
-    $ mkdir build && cd build
-    $ cmake -DENABLE_OPENACC=OFF -DENABLE_CUDA=ON -D GPU_TYPE="a100" ..
-    $ make
-    $ make test
+  $ micm examples/configs/chapman examples/configs/chapman/initial_conditions.csv
 
-NOAA Hardware
-^^^^^^^^^^^^^
+The output should be::
 
-Run an Example
---------------
+  time,          O,        O1D,         O2,         O3
+     0,   0.00e+00,   0.00e+00,   7.50e-01,   8.10e-06
+    60,   2.57e-12,   3.49e-22,   7.50e-01,   8.10e-06
+
+
+MICM API Example
+^^^^^^^^^^^^^^^^
 The following example solves the fictitious chemical system::
 
   foo       --k1--> 0.8 bar + 0.2 baz
@@ -128,3 +128,4 @@ You should see an output including this
     4000.000000,   0.111028,  12.731727,   5.390884
     4500.000000,   0.061290,  12.757422,   5.407096
 
+
diff --git a/examples/CMakeLists.txt b/examples/CMakeLists.txt
index 73c481d2f..7fcbcb15e 100644
--- a/examples/CMakeLists.txt
+++ b/examples/CMakeLists.txt
@@ -4,4 +4,20 @@ set(CMAKE_CXX_CLANG_TIDY "")
 add_executable(micmDriver example.cpp)
 target_link_libraries(micmDriver PUBLIC musica::micm )
 
-set_target_properties(micmDriver PROPERTIES OUTPUT_NAME "micm")
\ No newline at end of file
+set_target_properties(micmDriver PROPERTIES OUTPUT_NAME "micm")
+
+################################################################################
+# Run each example configuration as a test
+
+add_test(NAME carbon_bond_5_example
+         COMMAND micm ${CMAKE_BINARY_DIR}/examples/configs/carbon_bond_5 ${CMAKE_BINARY_DIR}/examples/configs/carbon_bond_5/initial_conditions.csv
+         WORKING_DIRECTORY ${CMAKE_BINARY_DIR})
+add_test(NAME chapman_example
+         COMMAND micm ${CMAKE_BINARY_DIR}/examples/configs/chapman ${CMAKE_BINARY_DIR}/examples/configs/chapman/initial_conditions.csv
+         WORKING_DIRECTORY ${CMAKE_BINARY_DIR})
+add_test(NAME robertson_example
+         COMMAND micm ${CMAKE_BINARY_DIR}/examples/configs/robertson ${CMAKE_BINARY_DIR}/examples/configs/robertson/initial_conditions.csv
+         WORKING_DIRECTORY ${CMAKE_BINARY_DIR})
+add_test(NAME ts1_example
+         COMMAND micm ${CMAKE_BINARY_DIR}/examples/configs/TS1 ${CMAKE_BINARY_DIR}/examples/configs/TS1/initial_conditions.csv
+         WORKING_DIRECTORY ${CMAKE_BINARY_DIR})
\ No newline at end of file
diff --git a/examples/configs/TS1/initial_conditions.csv b/examples/configs/TS1/initial_conditions.csv
index 274fee21f..fa2a0ec1d 100644
--- a/examples/configs/TS1/initial_conditions.csv
+++ b/examples/configs/TS1/initial_conditions.csv
@@ -335,6 +335,8 @@ SURF.usr_NC4CHO_aer,2.820947917738780E-08,1.0e11
 SURF.usr_TERPNIT_aer,2.820947917738780E-08,1.0e11
 SURF.usr_NTERPOOH_aer,2.820947917738780E-08,1.0e11
 SURF.usr_NC4CH2OH_aer,2.820947917738780E-08,1.0e11
+USER.usr_CO_OH,8.886e4
+USER.usr_DMS_OH,3.484e-12
 ENV.temperature,287.45
 ENV.pressure,101319.9
 ENV.air_density,42.3934005
diff --git a/examples/configs/carbon_bond_5/initial_conditions.csv b/examples/configs/carbon_bond_5/initial_conditions.csv
index 005df9960..3e5cc918f 100644
--- a/examples/configs/carbon_bond_5/initial_conditions.csv
+++ b/examples/configs/carbon_bond_5/initial_conditions.csv
@@ -1,352 +1,65 @@
-CONC.O2,8.90261411
-CONC.N2,33.1007671
-CONC.ALKNIT,8.72E-10
-CONC.BZOOH,2.68E-11
-CONC.C6H5OOH,4.20E-10
-CONC.COF2,5.24E-11
-CONC.COFCL,7.92E-12
-CONC.HF,1.81E-11
-CONC.F,3.89E-28
-CONC.BENZO2,2.09E-13
-CONC.BZOO,8.81E-13
-CONC.PAN,4.25E-08
-CONC.MVK,2.61E-08
-CONC.MACROOH,1.21E-09
-CONC.soa1_a1,1.0E-15
-CONC.soa1_a2,1.0E-15
-CONC.soa2_a1,1.0E-15
-CONC.soa2_a2,1.0E-15
-CONC.soa3_a1,1.0E-15
-CONC.soa3_a2,1.0E-15
-CONC.soa4_a1,1.0E-15
-CONC.soa4_a2,1.0E-15
-CONC.soa5_a1,1.0E-15
-CONC.soa5_a2,1.0E-15
-CONC.SOAG0,3.33E-11
-CONC.SOAG1,2.14E-10
-CONC.SOAG2,1.40E-09
-CONC.SOAG3,4.27E-09
-CONC.SOAG4,2.25E-08
-CONC.ISOPNITB,1.05E-09
-CONC.SO3,1.75E-17
-CONC.OCS,1.96E-08
-CONC.SO,1.22E-20
-CONC.S,1.10E-26
-CONC.H,9.67E-18
-CONC.MEK,1.04E-08
-CONC.MTERP,1.09E-09
-CONC.N2O5,1.00E-11
-CONC.HCN,1.90E-08
-CONC.SVOC,1.98E-10
-CONC.ISOPNO3,5.35E-13
-CONC.RO2,7.13E-12
-CONC.PHENO2,2.54E-13
-CONC.IVOC,2.06E-09
-CONC.TERPNIT,8.28E-10
-CONC.HNO3,1.04E-07
-CONC.ACBZO2,3.54E-13
-CONC.CH3COOOH,7.19E-09
-CONC.SO2,6.15E-08
-CONC.CH4,7.03E-05
-CONC.CH3CL,2.07E-08
-CONC.CH3CO3,8.32E-11
-CONC.C6H5O2,6.23E-12
-CONC.TERPROD1,1.68E-09
-CONC.HYAC,4.88E-08
-CONC.HPALD,3.56E-10
-CONC.H2O,7.46E-01
-CONC.NO2,6.37E-08
-CONC.EOOH,3.56E-09
-CONC.NTERPOOH,9.37E-11
-CONC.CCL4,2.96E-09
-CONC.CF2CLBR,1.24E-10
-CONC.CF3BR,1.26E-10
-CONC.CFC11,8.50E-09
-CONC.CFC113,2.66E-09
-CONC.CFC114,6.19E-10
-CONC.CFC115,3.29E-10
-CONC.CFC12,1.92E-08
-CONC.CH2BR2,4.32E-11
-CONC.CH3BR,2.37E-10
-CONC.CH3CCL3,5.55E-11
-CONC.NO,1.47E-08
-CONC.BR,3.67E-14
-CONC.BRCL,9.18E-19
-CONC.BRO,1.95E-13
-CONC.BRONO2,1.22E-11
-CONC.CL,1.07E-15
-CONC.CL2,1.01E-16
-CONC.CL2O2,1.89E-23
-CONC.CLO,8.06E-14
-CONC.CLONO2,4.09E-11
-CONC.HCOOH,8.79E-09
-CONC.HBR,4.48E-11
-CONC.HOBR,1.65E-12
-CONC.HOCL,2.11E-12
-CONC.BIGENE,6.59E-10
-CONC.C2H4,2.51E-08
-CONC.C2H5O2,1.55E-12
-CONC.CH3COCHO,1.95E-08
-CONC.CH3COCH3,7.37E-08
-CONC.O,2.85E-14
-CONC.OCLO,7.68E-19
-CONC.O1D,1.53E-19
-CONC.PHENO,1.00E-12
-CONC.HCFC141B,9.29E-10
-CONC.HCFC142B,8.24E-10
-CONC.HCFC22,9.07E-09
-CONC.DMS,1.74E-10
-CONC.C2H5OH,2.75E-08
-CONC.HCL,8.17E-10
-CONC.BEPOMUC,5.40E-12
-CONC.CHBR3,3.87E-11
-CONC.H2402,1.52E-11
-CONC.CO2,1.56E-02
-CONC.BZALD,4.70E-10
-CONC.BENZENE,2.67E-09
-CONC.C3H7O2,2.31E-12
-CONC.CH3O2,3.34E-10
-CONC.BCARY,5.04E-12
-CONC.BIGALD,1.33E-11
-CONC.BIGALD2,6.58E-11
-CONC.BIGALD3,6.83E-11
-CONC.BIGALD4,7.34E-10
-CONC.BIGALK,1.90E-08
-CONC.H2O2,7.36E-08
-CONC.C2H5OOH,7.99E-11
-CONC.C2H6,2.93E-08
-CONC.C3H8,9.70E-09
-CONC.C3H6,2.42E-09
-CONC.CH2O,2.44E-07
-CONC.CH3CN,4.66E-09
-CONC.C2H2,2.13E-08
-CONC.CH3OH,2.74E-07
-CONC.CH3OOH,1.69E-08
-CONC.CRESOL,1.06E-10
-CONC.ENEO2,7.98E-12
-CONC.MACRO2,1.09E-10
-CONC.ISOPAO2,1.39E-10
-CONC.MALO2,1.07E-13
-CONC.ISOPBO2,9.08E-11
-CONC.MCO3,9.23E-12
-CONC.MDIALO2,1.61E-13
-CONC.MEKO2,2.81E-12
-CONC.EO2,4.04E-11
-CONC.EO,9.93E-18
-CONC.GLYOXAL,1.25E-08
-CONC.MPAN,3.11E-09
-CONC.NC4CH2OH,7.30E-13
-CONC.ISOPOOH,4.68E-09
-CONC.GLYALD,4.58E-08
-CONC.HO2,1.69E-09
-CONC.HOCH2OO,1.07E-13
-CONC.H2,1.93E-05
-CONC.HYDRALD,1.49E-08
-CONC.ISOP,1.23E-08
-CONC.NTERPO2,9.18E-13
-CONC.TOLO2,3.23E-12
-CONC.TERP2O2,2.15E-11
-CONC.XYLENO2,4.98E-12
-CONC.TERPO2,1.29E-11
-CONC.XYLOLO2,4.62E-13
-CONC.PBZNIT,1.78E-10
-CONC.XYLENES,2.82E-09
-CONC.PO2,1.46E-11
-CONC.TOLUENE,4.88E-09
-CONC.XO2,1.12E-10
-CONC.XOOH,7.93E-09
-CONC.TERPROD2,3.81E-09
-CONC.MEKOOH,6.15E-11
-CONC.MACR,1.06E-08
-CONC.HONITR,6.79E-09
-CONC.ISOPNITA,1.62E-09
-CONC.ISOPNOOH,9.16E-11
-CONC.IEPOX,5.84E-09
-CONC.ONITR,2.67E-09
-CONC.H2SO4,2.27E-11
-CONC.N2O,1.27E-05
-CONC.NO3,9.32E-12
-CONC.OH,2.52E-11
-CONC.PHENOOH,9.15E-12
-CONC.PHENOL,9.49E-11
-CONC.XYLOL,9.92E-11
-CONC.ROOH,4.40E-10
-CONC.O3,2.49E-06
-CONC.TERPOOH,2.46E-10
-CONC.TOLOOH,9.69E-11
-CONC.XYLENOOH,1.50E-10
-CONC.XYLOLOOH,1.31E-11
-CONC.CO,3.25E-06
-CONC.CH3COOH,8.20E-09
-CONC.CH3CHO,2.51E-08
-CONC.BIGALD1,6.47E-11
-CONC.ALKOOH,3.79E-10
-CONC.DICARBO2,1.55E-13
-CONC.BENZOOH,5.78E-12
-CONC.ALKO2,1.39E-11
-CONC.HO2NO2,7.99E-10
-CONC.C3H7OOH,7.87E-11
-CONC.NH3,7.59E-08
-CONC.TERP2OOH,5.96E-10
-CONC.POOH,9.24E-10
-CONC.NOA,5.46E-09
-CONC.NC4CHO,3.67E-11
-CONC.TEPOMUC,2.21E-10
-CONC.NH4,1.0E-15
-CONC.SF6,1.0E-15
-PHOTO.jacet,1.25E-06
-PHOTO.jalknit,5.95E-06
-PHOTO.jalkooh,5.95E-06
-PHOTO.jbenzooh,5.95E-06
-PHOTO.jbepomuc,1.01E-03
-PHOTO.jbigald,2.01E-03
-PHOTO.jbigald1,1.41E-03
-PHOTO.jbigald2,2.01E-03
-PHOTO.jbigald3,2.01E-03
-PHOTO.jbigald4,6.03E-05
-PHOTO.jbrcl,1.12E-02
-PHOTO.jbro,4.07E-02
-PHOTO.jbrono2_a,1.27E-03
-PHOTO.jbrono2_b,2.24E-04
-PHOTO.jbzooh,5.95E-06
-PHOTO.jc2h5ooh,5.95E-06
-PHOTO.jc3h7ooh,5.95E-06
-PHOTO.jc6h5ooh,5.95E-06
-PHOTO.jccl4,1.28E-23
-PHOTO.jcf2cl2,2.50E-24
-PHOTO.jcf2clbr,6.95E-09
-PHOTO.jcf3br,1.45E-12
-PHOTO.jcfc113,2.60E-24
-PHOTO.jcfc114,2.09E-25
-PHOTO.jcfc115,1.23E-26
-PHOTO.jcfcl3,1.38E-23
-PHOTO.jch2br2,1.15E-09
-PHOTO.jch2o_a,3.47E-05
-PHOTO.jch2o_b,4.92E-05
-PHOTO.jch3br,9.35E-16
-PHOTO.jch3ccl3,1.79E-23
-PHOTO.jch3cho,7.18E-06
-PHOTO.jch3cl,4.68E-25
-PHOTO.jch3co3h,2.23E-06
-PHOTO.jch3ooh,5.95E-06
-PHOTO.jch4_a,0.00E+00
-PHOTO.jch4_b,0.00E+00
-PHOTO.jchbr3,1.81E-06
-PHOTO.jcl2,2.52E-03
-PHOTO.jcl2o2,1.98E-03
-PHOTO.jclo,2.40E-04
-PHOTO.jclono2_a,4.59E-05
-PHOTO.jclono2_b,1.00E-05
-PHOTO.jco2,5.28E-30
-PHOTO.jcof2,3.30E-25
-PHOTO.jcofcl,2.30E-24
-PHOTO.jeooh,5.95E-06
-PHOTO.jglyald,6.18E-06
-PHOTO.jglyoxal,1.40E-04
-PHOTO.jh2402,3.68E-09
-PHOTO.jh2o2,7.98E-06
-PHOTO.jh2o_a,8.96E-31
-PHOTO.jh2o_b,0.00E+00
-PHOTO.jh2o_c,0.00E+00
-PHOTO.jh2so4,3.10E-10
-PHOTO.jhbr,2.55E-23
-PHOTO.jhcfc141b,4.36E-24
-PHOTO.jhcfc142b,3.98E-26
-PHOTO.jhcfc22,8.55E-27
-PHOTO.jhcl,6.59E-25
-PHOTO.jhf,0.00E+00
-PHOTO.jhno3,8.54E-07
-PHOTO.jho2no2_a,1.71E-06
-PHOTO.jho2no2_b,1.72E-05
-PHOTO.jhobr,2.37E-03
-PHOTO.jhocl,3.04E-04
-PHOTO.jhonitr,3.47E-05
-PHOTO.jhpald,6.03E-05
-PHOTO.jhyac,2.47E-06
-PHOTO.jisopnooh,5.95E-06
-PHOTO.jisopooh,5.95E-06
-PHOTO.jmacr_a,2.77E-06
-PHOTO.jmacr_b,2.77E-06
-PHOTO.jmek,1.25E-06
-PHOTO.jmekooh,5.95E-06
-PHOTO.jmgly,1.40E-04
-PHOTO.jmpan,9.69E-07
-PHOTO.jmvk,5.20E-06
-PHOTO.jn2o,9.25E-25
-PHOTO.jn2o5_a,5.54E-05
-PHOTO.jn2o5_b,3.76E-09
-PHOTO.jnc4cho,3.47E-05
-PHOTO.jno,1.0e-8
-PHOTO.jno2,1.01E-02
-PHOTO.jno3_a,1.99E-01
-PHOTO.jno3_b,1.24E-02
-PHOTO.jnoa,3.47E-05
-PHOTO.jnterpooh,5.95E-06
-PHOTO.jo2_a,0.00E+00
-PHOTO.jo2_b,1.40E-28
-PHOTO.jo3_a,5.13E-05
-PHOTO.jo3_b,4.49E-04
-PHOTO.joclo,7.26E-02
-PHOTO.jocs,6.18E-12
-PHOTO.jonitr,7.18E-06
-PHOTO.jpan,9.69E-07
-PHOTO.jphenooh,5.95E-06
-PHOTO.jpooh,5.95E-06
-PHOTO.jrooh,5.95E-06
-PHOTO.jso,2.58E-22
-PHOTO.jso2,1.18E-22
-PHOTO.jso3,2.36E-07
-PHOTO.jtepomuc,1.01E-03
-PHOTO.jterp2ooh,5.95E-06
-PHOTO.jterpnit,5.95E-06
-PHOTO.jterpooh,5.95E-06
-PHOTO.jterprd1,7.18E-06
-PHOTO.jterprd2,7.18E-06
-PHOTO.jtolooh,5.95E-06
-PHOTO.jxooh,5.95E-06
-PHOTO.jxylenooh,5.95E-06
-PHOTO.jxylolooh,5.95E-06
-PHOTO.jsf6,1.0e-20
-PHOTO.jsoa1_a1,1.0e-20
-PHOTO.jsoa1_a2,1.0e-20
-PHOTO.jsoa2_a1,1.0e-20
-PHOTO.jsoa2_a2,1.0e-20
-PHOTO.jsoa3_a1,1.0e-20
-PHOTO.jsoa3_a2,1.0e-20
-PHOTO.jsoa4_a1,1.0e-20
-PHOTO.jsoa4_a2,1.0e-20
-PHOTO.jsoa5_a1,1.0e-20
-PHOTO.jsoa5_a2,1.0e-20
-USER.het1,1.0E-20
-USER.het2,1.0E-20
-USER.het3,1.0E-20
-USER.het4,6.022140760000E-03
-USER.het5,6.022140760000E-03
-USER.het6,6.022140760000E-03
-USER.het7,1.0E-20
-USER.het8,1.0E-20
-USER.het9,6.022140760000E-03
-USER.het10,6.022140760000E-03
-USER.het11,1.0E-20
-USER.het12,1.0E-20
-USER.het13,1.0E-20
-USER.het14,1.0E-20
-USER.het15,6.022140760000E-03
-USER.het16,6.022140760000E-03
-USER.het17,6.022140760000E-03
-SURF.usr_NO2_aer,2.820947917738780E-08,1.0e11
-SURF.usr_HO2_aer,2.820947917738780E-08,1.0e11
-SURF.usr_NO3_aer,2.820947917738780E-08,1.0e11
-SURF.usr_ISOPNITA_aer,2.820947917738780E-08,1.0e11
-SURF.usr_ISOPNITB_aer,2.820947917738780E-08,1.0e11
-SURF.usr_GLYOXAL_aer,2.820947917738780E-08,1.0e11
-SURF.usr_ONITR_aer,2.820947917738780E-08,1.0e11
-SURF.usr_N2O5_aer,2.820947917738780E-08,1.0e11
-SURF.usr_HONITR_aer,2.820947917738780E-08,1.0e11
-SURF.usr_NC4CHO_aer,2.820947917738780E-08,1.0e11
-SURF.usr_TERPNIT_aer,2.820947917738780E-08,1.0e11
-SURF.usr_NTERPOOH_aer,2.820947917738780E-08,1.0e11
-SURF.usr_NC4CH2OH_aer,2.820947917738780E-08,1.0e11
+CONC.NO,0.000000001
+CONC.NO2,0.00000001
+CONC.HNO3,0.00000001
+CONC.O3,0.000002
+CONC.H2O2,0.00000005
+CONC.CO,0.000006
+CONC.SO2,0.00000003
+CONC.HCL,0.00000009
+CONC.CH4,0.00009
+CONC.ETHA,0.00000001
+CONC.FORM,0.00000009
+CONC.MEOH,0.000000009
+CONC.MEPX,0.00000002
+CONC.ALD2,0.00000001
+CONC.PAR,0.00000002
+CONC.ETH,0.000000002
+CONC.OLE,0.0000000004
+CONC.IOLE,0.00000000003
+CONC.TOL,0.000000001
+CONC.XYL,0.000000001
+CONC.NTR,0.000000001
+CONC.PAN,0.00000003
+CONC.AACD,0.000000002
+CONC.ROOH,0.000000001
+CONC.ISOP,0.0000002
+CONC.O2,56
+CONC.H2,0.00003
+CONC.H2O,128
+EMIS.NO,0.000000000144
+EMIS.NO2,0.00000000000756
+EMIS.CO,0.00000000196
+EMIS.SO2,0.00000000106
+EMIS.FORM,0.0000000000102
+EMIS.MEOH,0.000000000000592
+EMIS.ALD2,0.00000000000425
+EMIS.PAR,0.000000000427
+EMIS.ETH,0.0000000000462
+EMIS.OLE,0.0000000000149
+EMIS.IOLE,0.0000000000149
+EMIS.TOL,0.0000000000153
+EMIS.XYL,0.000000000014
+EMIS.ISOP,0.00000000000603
+PHOTO.NO2,0.00477
+PHOTO.O3->O1D,0.00000226
+PHOTO.O3->O3P,0.000252999999999999
+PHOTO.NO3->NO2,0.116999999999999
+PHOTO.NO3->NO,0.0144
+PHOTO.HONO,0.000918
+PHOTO.H2O2,0.00000259
+PHOTO.PNA,0.00000189
+PHOTO.HNO3,0.0000000861
+PHOTO.NTR,0.000000477
+PHOTO.ROOH,0.00000181
+PHOTO.MEPX,0.00000181
+PHOTO.FORM->HO2,0.00000793
+PHOTO.FORM->CO,0.000022
+PHOTO.ALD2,0.0000022
+PHOTO.PACD,0.00000181
+PHOTO.ALDX,0.0000022
+PHOTO.OPEN,0.000645
+PHOTO.MGLY,0.0000764
+PHOTO.ISPD,0.00000000198
 ENV.temperature,287.45
 ENV.pressure,101319.9
 ENV.air_density,42.3934005
diff --git a/examples/configs/chapman/initial_conditions.csv b/examples/configs/chapman/initial_conditions.csv
index 026fecfb7..eb291c269 100644
--- a/examples/configs/chapman/initial_conditions.csv
+++ b/examples/configs/chapman/initial_conditions.csv
@@ -1,12 +1,9 @@
-CONC.M,0.779127760953859
-CONC.O1D,0.925827943758015
-CONC.O,0.566253459937848
-CONC.O2,0.566253459937848
-CONC.O3,0.566253459937848
-ENV.temperature,227.0
-ENV.pressure,1200.0
-ENV.air_density,1e6
-ENV.time_step,3600
-PHOTO.R1,6.0e-11
-PHOTO.R3,1.0e-3
-PHOTO.R5,1.0e-3
\ No newline at end of file
+CONC.O2,0.75
+CONC.O3,8.1e-6
+ENV.temperature,206.6374207
+ENV.pressure,6152.049805
+ENV.air_density,3.580772136E+00
+ENV.time_step,60
+PHOTO.R1,2.42e-17
+PHOTO.R3,1.15e-5
+PHOTO.R5,6.61e-9
\ No newline at end of file
diff --git a/examples/example.cpp b/examples/example.cpp
index 6f5c31fb9..33e5f9ef0 100644
--- a/examples/example.cpp
+++ b/examples/example.cpp
@@ -66,6 +66,7 @@ InitialConditions readCSVToMap(const std::string& filename)
     const std::string EMIS_PREFIX = "EMIS.";
     const std::string LOSS_PREFIX = "LOSS.";
     const std::string USER_PREFIX = "USER.";
+    const std::string SURF_PREFIX = "SURF.";
     constexpr int CONC_POS = 5;
     constexpr int ENV_POS = 4;
 
@@ -140,7 +141,7 @@ InitialConditions readCSVToMap(const std::string& filename)
                 return dataMap;
             }
         }
-        // Find custom rate constants
+        // Find custom rate constants that use UserDefinedRateConstant class
         else if (line.find(PHOTO_PREFIX) != std::string::npos 
                || line.find(EMIS_PREFIX) != std::string::npos 
                || line.find(LOSS_PREFIX) != std::string::npos
@@ -149,7 +150,7 @@ InitialConditions readCSVToMap(const std::string& filename)
             delimiter_pos = line.find_last_of(',');
             if (delimiter_pos == std::string::npos)
             {
-                std::cerr << "Error: Unable to find the delimiter \',' in \"" << line << "\"" << std::endl;
+                std::cerr << "Error: Unable to find the delimiter ',' in \"" << line << "\"" << std::endl;
                 dataMap.incomplete_parsing();
                 return dataMap;
             }
@@ -169,6 +170,42 @@ InitialConditions readCSVToMap(const std::string& filename)
                 return dataMap;
             }
         }
+        else if (line.find(SURF_PREFIX) != std::string::npos)
+        {
+            auto last_delimiter_pos = line.find_last_of(',');
+            auto second_last_delimiter_pos = line.substr(0,last_delimiter_pos-1).find_last_of(',');
+            if (last_delimiter_pos == std::string::npos || second_last_delimiter_pos == std::string::npos)
+            {
+                std::cerr << "Error: Unable to find both delimiters ',' in \"" << line << "\"" << std::endl;
+                dataMap.incomplete_parsing();
+                return dataMap;
+            }
+            key = line.substr(0, second_last_delimiter_pos);
+            value_string = line.substr(second_last_delimiter_pos + 1, last_delimiter_pos - second_last_delimiter_pos);
+            try
+            {
+                value = std::stod(value_string);
+                dataMap.custom_rate_params[key + ".effective radius [m]"].emplace_back(value);
+            }
+            catch(const std::exception& e)
+            {
+                std::cerr << e.what() << ": Parsing Error: Unable to convert string to double for the value of '" << value_string << "'" << std::endl;
+                dataMap.incomplete_parsing();
+                return dataMap;
+            }
+            value_string = line.substr(last_delimiter_pos + 1);
+            try
+            {
+                value = std::stod(value_string);
+                dataMap.custom_rate_params[key + ".particle number concentration [# m-3]"].emplace_back(value);
+            }
+            catch(const std::exception& e)
+            {
+                std::cerr << e.what() << ": Parsing Error: Unable to convert string to double for the value of '" << value_string << "'" << std::endl;
+                dataMap.incomplete_parsing();
+                return dataMap;
+            }            
+        }
         else
         {
             std::cerr << "Error: Unable to parse string \"" << line << "\"" << std::endl;
@@ -216,6 +253,21 @@ int main(const int argc, const char *argv[])
     }
 
     SolverParameters solver_params = solverConfig.GetSolverParams();
+
+    // add third-body species parameterizaton on air density
+    for (auto& species : solver_params.system_.gas_phase_.species_)
+      if (species.name_ == "M")
+        species.parameterize_ = [](const Conditions& c) { return c.air_density_; };
+    for (auto& process : solver_params.processes_)
+    {
+      for (auto& reactant : process.reactants_)
+        if (reactant.name_ == "M")
+          reactant.parameterize_ = [](const Conditions& c) { return c.air_density_; };
+      for (auto& product : process.products_)
+        if (product.first.name_ == "M")
+          product.first.parameterize_ = [](const Conditions& c) { return c.air_density_; };
+    }
+
     auto chemical_system = solver_params.system_;
     auto reactions = solver_params.processes_;
 
@@ -256,6 +308,11 @@ int main(const int argc, const char *argv[])
       auto result = solver.Solve(time_step - elapsed_solve_time, state);
       elapsed_solve_time = result.final_time_;
       state.variables_ = result.result_;
+      if (result.state_ != SolverState::Converged)
+      {
+        std::cout << "solver failed to converge" << std::endl;
+        return 1;
+      }
     }
     state.PrintState(time_step);
 

From 794553cd4ffb51fe33fb393221cf12730e641013 Mon Sep 17 00:00:00 2001
From: Kyle Shores <kyle.shores44@gmail.com>
Date: Thu, 7 Dec 2023 11:22:00 -0600
Subject: [PATCH 310/318] adding FAIR badge

---
 README.md | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/README.md b/README.md
index 09b9ff62a..41645ae0d 100644
--- a/README.md
+++ b/README.md
@@ -11,6 +11,8 @@ Model Independent Chemical Module. MICM can be used to configure and solve atmos
 [![Ubuntu](https://github.com/NCAR/micm/actions/workflows/ubuntu.yml/badge.svg)](https://github.com/NCAR/micm/actions/workflows/ubuntu.yml)
 [![codecov](https://codecov.io/gh/NCAR/micm/branch/main/graph/badge.svg?token=ATGO4DKTMY)](https://codecov.io/gh/NCAR/micm)
 [![DOI](https://zenodo.org/badge/294492778.svg)](https://zenodo.org/badge/latestdoi/294492778)
+[![FAIR checklist badge](https://fairsoftwarechecklist.net/badge.svg)](https://fairsoftwarechecklist.net/v0.2?f=31&a=32113&i=22322&r=123)
+
 
 Copyright (C) 2018-2023 National Center for Atmospheric Research
 

From cbb3e1c6bae17c52b291ff4db772a0c0cad0e793 Mon Sep 17 00:00:00 2001
From: Qina Tan <72781532+qinatan@users.noreply.github.com>
Date: Wed, 20 Dec 2023 15:33:59 -0700
Subject: [PATCH 311/318] Cuda alpha (#384)

* ready to test

* modified test

* modified test

* modified headers

* added templates

* minor bug

* template issue

* test failed

* still failing

* test passed

* tests passed

* cuda_process_set modified

* added liscend

* change made

* function name change

* added template to getSolver() function

* test passed with EXPECT_EQ

---------

Co-authored-by: Qina Tan <qinatan@derecho3.hsn.de.hpc.ucar.edu>
Co-authored-by: Qina Tan <qinatan@derecho8.hsn.de.hpc.ucar.edu>
Co-authored-by: Qina Tan <qinatan@deg0066.hsn.de.hpc.ucar.edu>
Co-authored-by: Qina Tan <qinatan@derecho6.hsn.de.hpc.ucar.edu>
Co-authored-by: Qina Tan <qinatan@derecho2.hsn.de.hpc.ucar.edu>
Co-authored-by: Qina Tan <qinatan@deg0041.hsn.de.hpc.ucar.edu>
Co-authored-by: Qina Tan <qinatan@deg0073.hsn.de.hpc.ucar.edu>
Co-authored-by: Qina Tan <qinatan@deg0069.hsn.de.hpc.ucar.edu>
---
 include/micm/process/cuda_process_set.hpp |   1 +
 include/micm/solver/cuda_rosenbrock.cuh   |  15 +++
 include/micm/solver/cuda_rosenbrock.hpp   |  70 +++++++++++
 include/micm/solver/rosenbrock.hpp        |   2 +-
 include/micm/solver/rosenbrock.inl        |   1 +
 src/solver/CMakeLists.txt                 |   1 +
 src/solver/rosenbrock.cu                  |  63 ++++++++++
 test/unit/solver/CMakeLists.txt           |   1 +
 test/unit/solver/test_cuda_rosenbrock.cpp | 138 ++++++++++++++++++++++
 test/unit/solver/test_rosenbrock.cpp      |   2 +-
 10 files changed, 292 insertions(+), 2 deletions(-)
 create mode 100644 include/micm/solver/cuda_rosenbrock.cuh
 create mode 100644 include/micm/solver/cuda_rosenbrock.hpp
 create mode 100644 src/solver/rosenbrock.cu
 create mode 100644 test/unit/solver/test_cuda_rosenbrock.cpp

diff --git a/include/micm/process/cuda_process_set.hpp b/include/micm/process/cuda_process_set.hpp
index 4217e7cdc..08e1a5f6e 100644
--- a/include/micm/process/cuda_process_set.hpp
+++ b/include/micm/process/cuda_process_set.hpp
@@ -13,6 +13,7 @@ namespace micm
   class CudaProcessSet : public ProcessSet
   {
    public:
+    CudaProcessSet() = default;
     /// @brief Create a process set calculator for a given set of processes
     /// @param processes Processes to create calculator for
     /// @param variable_map A mapping of species names to concentration index
diff --git a/include/micm/solver/cuda_rosenbrock.cuh b/include/micm/solver/cuda_rosenbrock.cuh
new file mode 100644
index 000000000..591960967
--- /dev/null
+++ b/include/micm/solver/cuda_rosenbrock.cuh
@@ -0,0 +1,15 @@
+// Copyright (C) 2023 National Center for Atmospheric Research
+// SPDX-License-Identifier: Apache-2.0
+#pragma once
+#include <chrono>
+#include <micm/util/cuda_param.hpp>
+#include <vector>
+namespace micm{
+    namespace cuda{
+  std::chrono::nanoseconds AlphaMinusJacobianDriver(
+                        CudaSparseMatrixParam& sparseMatrix,
+                        const std::vector<size_t> jacobian_diagonal_elements,
+                        double alpha);
+
+    }//end cuda
+}//end micm
\ No newline at end of file
diff --git a/include/micm/solver/cuda_rosenbrock.hpp b/include/micm/solver/cuda_rosenbrock.hpp
new file mode 100644
index 000000000..6c46db1b4
--- /dev/null
+++ b/include/micm/solver/cuda_rosenbrock.hpp
@@ -0,0 +1,70 @@
+#pragma once 
+
+#include <micm/util/cuda_param.hpp>
+#include <micm/solver/rosenbrock.hpp>
+#include <micm/solver/cuda_rosenbrock.cuh>
+#include <algorithm>
+#include <cassert>
+#include <chrono>
+#include <cmath>
+#include <cstddef>
+#include <functional>
+#include <iostream>
+#include <limits>
+#include <micm/process/process.hpp>
+#include <micm/process/process_set.hpp>
+#include <micm/solver/linear_solver.hpp>
+#include <micm/solver/rosenbrock_solver_parameters.hpp>
+#include <micm/solver/state.hpp>
+#include <micm/system/system.hpp>
+#include <micm/util/jacobian.hpp>
+#include <micm/util/matrix.hpp>
+#include <micm/util/sparse_matrix.hpp>
+#include <string>
+#include <vector>
+#include <micm/process/cuda_process_set.hpp>
+#include <micm/solver/cuda_linear_solver.hpp>
+
+namespace micm{
+
+ template<
+      template<class> class MatrixPolicy = Matrix,
+      template<class> class SparseMatrixPolicy = StandardSparseMatrix,
+      class LinearSolverPolicy = CudaLinearSolver<double, SparseMatrixPolicy>,
+      class ProcessSetPolicy = CudaProcessSet>
+
+class CudaRosenbrockSolver : public RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>{
+///@brief Default constructor 
+public:
+CudaRosenbrockSolver(); 
+
+
+CudaRosenbrockSolver(const System& system, 
+                    const std::vector<Process>& processes, 
+                    const RosenbrockSolverParameters& parameters)
+: RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>(system, processes, parameters){}; 
+
+
+CudaRosenbrockSolver(const System& system,
+                    const std::vector<Process> processes, 
+                    const RosenbrockSolverParameters& parameters,
+                    const std::function<LinearSolverPolicy (const SparseMatrixPolicy<double>, double)> create_linear_solver,
+                    const std::function<ProcessSetPolicy (const std::vector<Process>& , const std::map<std::string, std::size_t>&)> create_process_set)
+: RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>(system, processes, parameters, create_linear_solver, create_process_set){}; 
+
+std::chrono::nanoseconds AlphaMinusJacobian(SparseMatrixPolicy<double>& jacobian, double alpha) const
+requires VectorizableSparse<SparseMatrixPolicy<double>>
+{
+    for (auto& element : jacobian.AsVector())
+        element = -element; 
+    CudaSparseMatrixParam sparseMatrix; 
+    sparseMatrix.jacobian_ = jacobian.AsVector().data(); 
+    sparseMatrix.jacobian_size_ = jacobian.AsVector().size(); 
+    sparseMatrix.n_grids_ = jacobian.size(); 
+
+    return micm::cuda::AlphaMinusJacobianDriver(sparseMatrix,
+                                        this->state_parameters_.jacobian_diagonal_elements_, alpha);
+                       
+        }
+    }; //end CudaRosenbrockSolver
+}//end micm 
\ No newline at end of file
diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index ab1bc21f9..8eb1e2bf4 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -115,7 +115,7 @@ namespace micm
       /// @brief The final time the solver iterated to
       double final_time_{};
     };
-
+    
     std::vector<Process> processes_;
     RosenbrockSolverParameters parameters_;
     StateParameters state_parameters_;
diff --git a/include/micm/solver/rosenbrock.inl b/include/micm/solver/rosenbrock.inl
index dcf801959..bbc2077b8 100644
--- a/include/micm/solver/rosenbrock.inl
+++ b/include/micm/solver/rosenbrock.inl
@@ -388,6 +388,7 @@ namespace micm
     const std::size_t n_cells = jacobian.GroupVectorSize();
     for (auto& elem : jacobian.AsVector())
       elem = -elem;
+     
     for (std::size_t i_group = 0; i_group < jacobian.NumberOfGroups(jacobian.size()); ++i_group)
     {
       auto jacobian_vector = std::next(jacobian.AsVector().begin(), i_group * jacobian.GroupSize(jacobian.FlatBlockSize()));
diff --git a/src/solver/CMakeLists.txt b/src/solver/CMakeLists.txt
index 2c5ca20ee..7bf198c06 100644
--- a/src/solver/CMakeLists.txt
+++ b/src/solver/CMakeLists.txt
@@ -3,5 +3,6 @@ if(ENABLE_CUDA)
      PRIVATE
      lu_decomposition.cu
      linear_solver.cu
+     rosenbrock.cu
   )
 endif()
\ No newline at end of file
diff --git a/src/solver/rosenbrock.cu b/src/solver/rosenbrock.cu
new file mode 100644
index 000000000..41fb6b831
--- /dev/null
+++ b/src/solver/rosenbrock.cu
@@ -0,0 +1,63 @@
+// Copyright (C) 2023 National Center for Atmospheric Research
+// SPDX-License-Identifier: Apache-2.0
+#pragma once
+#include <chrono>
+#include <vector>
+#include <iostream>
+#include <micm/util/cuda_param.hpp>
+
+namespace micm{
+    namespace cuda{
+        __global__ void AlphaMinusJacobianKernel(size_t n_grids,
+                                                double* d_jacobian,
+                                                size_t* d_jacobian_diagonal_elements,
+                                                size_t jacobian_diagonal_elements_size,
+                                                double alpha)
+{
+        size_t tid = blockIdx.x * blockDim.x + threadIdx.x;
+        if (tid < n_grids)
+    {
+        for (int j = 0; j < jacobian_diagonal_elements_size; j++)
+        {
+            size_t jacobian_index = d_jacobian_diagonal_elements[j];
+            d_jacobian[jacobian_index + tid] += alpha; 
+        }
+    } 
+}
+        
+        std::chrono::nanoseconds AlphaMinusJacobianDriver(
+                        CudaSparseMatrixParam& sparseMatrix,
+                        const std::vector<size_t> jacobian_diagonal_elements,
+                        double alpha)
+    {
+        //device pointers
+        double* d_jacobian;
+        size_t* d_jacobian_diagonal_elements; 
+        cudaMalloc(&d_jacobian, sizeof(double)* sparseMatrix.jacobian_size_); 
+        cudaMalloc(&d_jacobian_diagonal_elements, sizeof(size_t)* jacobian_diagonal_elements.size());
+        cudaMemcpy(d_jacobian, sparseMatrix.jacobian_, sizeof(double)* sparseMatrix.jacobian_size_, cudaMemcpyHostToDevice); 
+        cudaMemcpy(d_jacobian_diagonal_elements, jacobian_diagonal_elements.data(), sizeof(size_t)* jacobian_diagonal_elements.size(), cudaMemcpyHostToDevice);
+
+        //kernel call
+        size_t num_block = (sparseMatrix.n_grids_ + BLOCK_SIZE - 1) / BLOCK_SIZE;
+        auto startTime = std::chrono::high_resolution_clock::now();
+        AlphaMinusJacobianKernel<<<num_block, BLOCK_SIZE>>>(sparseMatrix.n_grids_,
+                                d_jacobian,  
+                                d_jacobian_diagonal_elements,
+                                jacobian_diagonal_elements.size(),
+                                alpha);
+
+
+        cudaDeviceSynchronize();
+        auto endTime = std::chrono::high_resolution_clock::now();
+        auto kernel_duration = std::chrono::duration_cast<std::chrono::nanoseconds>(endTime - startTime);
+        cudaMemcpy(sparseMatrix.jacobian_, d_jacobian, sizeof(double)* sparseMatrix.jacobian_size_, cudaMemcpyDeviceToHost);
+        cudaFree(d_jacobian);
+        cudaFree(d_jacobian_diagonal_elements);
+        
+        return kernel_duration; 
+
+    }
+
+    }// end cuda
+}// end mimc 
diff --git a/test/unit/solver/CMakeLists.txt b/test/unit/solver/CMakeLists.txt
index f2302671e..f29189603 100644
--- a/test/unit/solver/CMakeLists.txt
+++ b/test/unit/solver/CMakeLists.txt
@@ -16,6 +16,7 @@ create_standard_test(NAME state SOURCES test_state.cpp)
 if(ENABLE_CUDA)
   create_standard_test(NAME cuda_lu_decomposition SOURCES test_cuda_lu_decomposition.cpp LIBRARIES musica::micm_cuda)
   create_standard_test(NAME cuda_linear_solver SOURCES test_cuda_linear_solver.cpp LIBRARIES musica::micm_cuda)
+  create_standard_test(NAME cuda_rosenbrock SOURCES test_cuda_rosenbrock.cpp LIBRARIES musica::micm_cuda)
 endif()
 
 if(ENABLE_LLVM)
diff --git a/test/unit/solver/test_cuda_rosenbrock.cpp b/test/unit/solver/test_cuda_rosenbrock.cpp
new file mode 100644
index 000000000..8756d6473
--- /dev/null
+++ b/test/unit/solver/test_cuda_rosenbrock.cpp
@@ -0,0 +1,138 @@
+#include <gtest/gtest.h>
+#include <micm/process/arrhenius_rate_constant.hpp>
+#include <micm/solver/cuda_rosenbrock.hpp>
+#include <micm/solver/rosenbrock.hpp>
+#include <micm/solver/cuda_rosenbrock.hpp>
+#include <micm/util/matrix.hpp>
+#include <micm/util/sparse_matrix.hpp>
+#include <micm/util/sparse_matrix_vector_ordering.hpp>
+#include <micm/util/vector_matrix.hpp>
+#include <micm/solver/cuda_rosenbrock.cuh>
+
+
+template<class T>
+using Group1VectorMatrix = micm::VectorMatrix<T, 1>;
+template<class T>
+using Group2VectorMatrix = micm::VectorMatrix<T, 2>;
+template<class T>
+using Group3VectorMatrix = micm::VectorMatrix<T, 3>;
+template<class T>
+using Group4VectorMatrix = micm::VectorMatrix<T, 4>;
+
+template<class T>
+using Group1SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<1>>;
+template<class T>
+using Group2SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<2>>;
+template<class T>
+using Group3SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<3>>;
+template<class T>
+using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<4>>;
+
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class RosenbrockPolicy>
+RosenbrockPolicy getSolver(std::size_t number_of_grid_cells)
+{
+  // ---- foo  bar  baz  quz  quuz
+  // foo   0    1    2    -    -
+  // bar   3    4    5    -    -
+  // baz   6    -    7    -    -
+  // quz   -    8    -    9    -
+  // quuz 10    -   11    -    12
+
+  auto foo = micm::Species("foo");
+  auto bar = micm::Species("bar");
+  auto baz = micm::Species("baz");
+  auto quz = micm::Species("quz");
+  auto quuz = micm::Species("quuz");
+
+  micm::Phase gas_phase{ std::vector<micm::Species>{ foo, bar, baz, quz, quuz } };
+
+  micm::Process r1 = micm::Process::create()
+                         .reactants({ foo, baz })
+                         .products({ yields(bar, 1), yields(quuz, 2.4) })
+                         .phase(gas_phase)
+                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 2.0e-11, .B_ = 0, .C_ = 110 }));
+
+  micm::Process r2 = micm::Process::create()
+                         .reactants({ bar })
+                         .products({ yields(foo, 1), yields(quz, 1.4) })
+                         .phase(gas_phase)
+                         .rate_constant(micm::ArrheniusRateConstant({ .A_ = 1.0e-6 }));
+
+  micm::Process r3 = micm::Process::create().reactants({ quz }).products({}).phase(gas_phase).rate_constant(
+      micm::ArrheniusRateConstant({ .A_ = 3.5e-6 }));
+
+  return RosenbrockPolicy(
+      micm::System(micm::SystemParameters{ .gas_phase_ = gas_phase }),
+      std::vector<micm::Process>{ r1, r2, r3 },
+      micm::RosenbrockSolverParameters::three_stage_rosenbrock_parameters(number_of_grid_cells, false));
+}
+
+template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
+void testAlphaMinusJacobian(std::size_t number_of_grid_cells)
+{
+  auto gpu_solver = getSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, micm::CudaRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>>(number_of_grid_cells);  
+  auto jacobian = gpu_solver.GetState().jacobian_;
+  EXPECT_EQ(jacobian.size(), number_of_grid_cells);
+  EXPECT_EQ(jacobian[0].size(), 5);
+  EXPECT_EQ(jacobian[0][0].size(), 5);
+  EXPECT_GE(jacobian.AsVector().size(), 13 * number_of_grid_cells);
+  for (auto& elem : jacobian.AsVector())
+    elem = 100.0;
+  for (std::size_t i_cell = 0; i_cell < number_of_grid_cells; ++i_cell)
+  {
+    jacobian[i_cell][0][0] = 12.2;
+    jacobian[i_cell][0][1] = 24.3 * (i_cell + 2);
+    jacobian[i_cell][0][2] = 42.3;
+    jacobian[i_cell][1][0] = 0.43;
+    jacobian[i_cell][1][1] = 23.4;
+    jacobian[i_cell][1][2] = 83.4 / (i_cell + 3);
+    jacobian[i_cell][2][0] = 4.74;
+    jacobian[i_cell][2][2] = 6.91;
+    jacobian[i_cell][3][1] = 59.1;
+    jacobian[i_cell][3][3] = 83.4;
+    jacobian[i_cell][4][0] = 78.5;
+    jacobian[i_cell][4][2] = 53.6;
+    jacobian[i_cell][4][4] = 1.0;
+  }
+  auto cpu_jacobian = jacobian; 
+  
+  gpu_solver.AlphaMinusJacobian(jacobian, 42.042);
+  for (std::size_t i_cell = 0; i_cell < number_of_grid_cells; ++i_cell)
+  {
+    EXPECT_EQ(jacobian[i_cell][0][0], 42.042 - 12.2);
+    EXPECT_EQ(jacobian[i_cell][0][1], -24.3 * (i_cell + 2));
+    EXPECT_EQ(jacobian[i_cell][0][2], -42.3);
+    EXPECT_EQ(jacobian[i_cell][1][0], -0.43);
+    EXPECT_EQ(jacobian[i_cell][1][1], 42.042 - 23.4);
+    EXPECT_EQ(jacobian[i_cell][1][2], -83.4 / (i_cell + 3));
+    EXPECT_EQ(jacobian[i_cell][2][0], -4.74);
+    EXPECT_EQ(jacobian[i_cell][2][2], 42.042 - 6.91);
+    EXPECT_EQ(jacobian[i_cell][3][1], -59.1);
+    EXPECT_EQ(jacobian[i_cell][3][3], 42.042 - 83.4);
+    EXPECT_EQ(jacobian[i_cell][4][0], -78.5);
+    EXPECT_EQ(jacobian[i_cell][4][2], -53.6);
+    EXPECT_EQ(jacobian[i_cell][4][4], 42.042 - 1.0);
+  }
+
+  auto cpu_solver = getSolver<MatrixPolicy, SparseMatrixPolicy, micm::LinearSolver<double, SparseMatrixPolicy>, micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, micm::LinearSolver<double, SparseMatrixPolicy>>>(number_of_grid_cells);
+  cpu_solver.AlphaMinusJacobian(cpu_jacobian, 42.042);
+  std::vector<double> jacobian_gpu_vector = jacobian.AsVector(); 
+  std::vector<double> jacobian_cpu_vector = cpu_jacobian.AsVector(); 
+  for (int i = 0; i < jacobian_cpu_vector.size(); i++){
+    EXPECT_EQ(jacobian_cpu_vector[i], jacobian_gpu_vector[i]);
+  }
+
+}
+
+TEST(RosenbrockSolver, DenseAlphaMinusJacobian)
+{
+   testAlphaMinusJacobian<Group1VectorMatrix, Group1SparseVectorMatrix, micm::CudaLinearSolver<double, Group1SparseVectorMatrix>>(
+       1);
+   testAlphaMinusJacobian<Group2VectorMatrix, Group2SparseVectorMatrix, micm::CudaLinearSolver<double, Group2SparseVectorMatrix>>(
+       2);
+  testAlphaMinusJacobian<Group3VectorMatrix, Group3SparseVectorMatrix, micm::CudaLinearSolver<double, Group3SparseVectorMatrix>>(
+      3);
+  testAlphaMinusJacobian<Group4VectorMatrix, Group4SparseVectorMatrix, micm::CudaLinearSolver<double, Group4SparseVectorMatrix>>(
+      4);
+}
+
diff --git a/test/unit/solver/test_rosenbrock.cpp b/test/unit/solver/test_rosenbrock.cpp
index c54fb0f1d..cb3731d39 100644
--- a/test/unit/solver/test_rosenbrock.cpp
+++ b/test/unit/solver/test_rosenbrock.cpp
@@ -1,5 +1,4 @@
 #include <gtest/gtest.h>
-
 #include <micm/process/arrhenius_rate_constant.hpp>
 #include <micm/solver/rosenbrock.hpp>
 #include <micm/util/matrix.hpp>
@@ -96,6 +95,7 @@ void testAlphaMinusJacobian(std::size_t number_of_grid_cells)
   }
 }
 
+
 TEST(RosenbrockSolver, StandardAlphaMinusJacobian)
 {
   testAlphaMinusJacobian<micm::Matrix, SparseMatrix, micm::LinearSolver<double, SparseMatrix>>(1);

From 76f6ce220ac14b3a52651b10ecc7bf360acfc88d Mon Sep 17 00:00:00 2001
From: GitHub Actions <actions@github.com>
Date: Wed, 20 Dec 2023 22:34:21 +0000
Subject: [PATCH 312/318] Auto-format code using Clang-Format

---
 include/micm/solver/cuda_rosenbrock.hpp   | 88 ++++++++++++----------
 include/micm/solver/rosenbrock.hpp        |  2 +-
 src/solver/rosenbrock.cu                  | 92 ++++++++++++-----------
 test/unit/solver/test_cuda_rosenbrock.cpp | 63 ++++++++++------
 test/unit/solver/test_rosenbrock.cpp      |  2 +-
 5 files changed, 140 insertions(+), 107 deletions(-)

diff --git a/include/micm/solver/cuda_rosenbrock.hpp b/include/micm/solver/cuda_rosenbrock.hpp
index 6c46db1b4..89158e628 100644
--- a/include/micm/solver/cuda_rosenbrock.hpp
+++ b/include/micm/solver/cuda_rosenbrock.hpp
@@ -1,8 +1,5 @@
-#pragma once 
+#pragma once
 
-#include <micm/util/cuda_param.hpp>
-#include <micm/solver/rosenbrock.hpp>
-#include <micm/solver/cuda_rosenbrock.cuh>
 #include <algorithm>
 #include <cassert>
 #include <chrono>
@@ -11,60 +8,73 @@
 #include <functional>
 #include <iostream>
 #include <limits>
+#include <micm/process/cuda_process_set.hpp>
 #include <micm/process/process.hpp>
 #include <micm/process/process_set.hpp>
+#include <micm/solver/cuda_linear_solver.hpp>
+#include <micm/solver/cuda_rosenbrock.cuh>
 #include <micm/solver/linear_solver.hpp>
+#include <micm/solver/rosenbrock.hpp>
 #include <micm/solver/rosenbrock_solver_parameters.hpp>
 #include <micm/solver/state.hpp>
 #include <micm/system/system.hpp>
+#include <micm/util/cuda_param.hpp>
 #include <micm/util/jacobian.hpp>
 #include <micm/util/matrix.hpp>
 #include <micm/util/sparse_matrix.hpp>
 #include <string>
 #include <vector>
-#include <micm/process/cuda_process_set.hpp>
-#include <micm/solver/cuda_linear_solver.hpp>
 
-namespace micm{
+namespace micm
+{
 
- template<
+  template<
       template<class> class MatrixPolicy = Matrix,
       template<class> class SparseMatrixPolicy = StandardSparseMatrix,
       class LinearSolverPolicy = CudaLinearSolver<double, SparseMatrixPolicy>,
       class ProcessSetPolicy = CudaProcessSet>
 
-class CudaRosenbrockSolver : public RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>{
-///@brief Default constructor 
-public:
-CudaRosenbrockSolver(); 
+  class CudaRosenbrockSolver
+      : public RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>
+  {
+    ///@brief Default constructor
+   public:
+    CudaRosenbrockSolver();
 
+    CudaRosenbrockSolver(
+        const System& system,
+        const std::vector<Process>& processes,
+        const RosenbrockSolverParameters& parameters)
+        : RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>(
+              system,
+              processes,
+              parameters){};
 
-CudaRosenbrockSolver(const System& system, 
-                    const std::vector<Process>& processes, 
-                    const RosenbrockSolverParameters& parameters)
-: RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>(system, processes, parameters){}; 
+    CudaRosenbrockSolver(
+        const System& system,
+        const std::vector<Process> processes,
+        const RosenbrockSolverParameters& parameters,
+        const std::function<LinearSolverPolicy(const SparseMatrixPolicy<double>, double)> create_linear_solver,
+        const std::function<ProcessSetPolicy(const std::vector<Process>&, const std::map<std::string, std::size_t>&)>
+            create_process_set)
+        : RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>(
+              system,
+              processes,
+              parameters,
+              create_linear_solver,
+              create_process_set){};
 
+    std::chrono::nanoseconds AlphaMinusJacobian(SparseMatrixPolicy<double>& jacobian, double alpha) const requires
+        VectorizableSparse<SparseMatrixPolicy<double>>
+    {
+      for (auto& element : jacobian.AsVector())
+        element = -element;
+      CudaSparseMatrixParam sparseMatrix;
+      sparseMatrix.jacobian_ = jacobian.AsVector().data();
+      sparseMatrix.jacobian_size_ = jacobian.AsVector().size();
+      sparseMatrix.n_grids_ = jacobian.size();
 
-CudaRosenbrockSolver(const System& system,
-                    const std::vector<Process> processes, 
-                    const RosenbrockSolverParameters& parameters,
-                    const std::function<LinearSolverPolicy (const SparseMatrixPolicy<double>, double)> create_linear_solver,
-                    const std::function<ProcessSetPolicy (const std::vector<Process>& , const std::map<std::string, std::size_t>&)> create_process_set)
-: RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, ProcessSetPolicy>(system, processes, parameters, create_linear_solver, create_process_set){}; 
-
-std::chrono::nanoseconds AlphaMinusJacobian(SparseMatrixPolicy<double>& jacobian, double alpha) const
-requires VectorizableSparse<SparseMatrixPolicy<double>>
-{
-    for (auto& element : jacobian.AsVector())
-        element = -element; 
-    CudaSparseMatrixParam sparseMatrix; 
-    sparseMatrix.jacobian_ = jacobian.AsVector().data(); 
-    sparseMatrix.jacobian_size_ = jacobian.AsVector().size(); 
-    sparseMatrix.n_grids_ = jacobian.size(); 
-
-    return micm::cuda::AlphaMinusJacobianDriver(sparseMatrix,
-                                        this->state_parameters_.jacobian_diagonal_elements_, alpha);
-                       
-        }
-    }; //end CudaRosenbrockSolver
-}//end micm 
\ No newline at end of file
+      return micm::cuda::AlphaMinusJacobianDriver(sparseMatrix, this->state_parameters_.jacobian_diagonal_elements_, alpha);
+    }
+  };  // end CudaRosenbrockSolver
+}  // namespace micm
\ No newline at end of file
diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index 8eb1e2bf4..ab1bc21f9 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -115,7 +115,7 @@ namespace micm
       /// @brief The final time the solver iterated to
       double final_time_{};
     };
-    
+
     std::vector<Process> processes_;
     RosenbrockSolverParameters parameters_;
     StateParameters state_parameters_;
diff --git a/src/solver/rosenbrock.cu b/src/solver/rosenbrock.cu
index 41fb6b831..8992221b6 100644
--- a/src/solver/rosenbrock.cu
+++ b/src/solver/rosenbrock.cu
@@ -2,62 +2,64 @@
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
 #include <chrono>
-#include <vector>
 #include <iostream>
 #include <micm/util/cuda_param.hpp>
+#include <vector>
 
-namespace micm{
-    namespace cuda{
-        __global__ void AlphaMinusJacobianKernel(size_t n_grids,
-                                                double* d_jacobian,
-                                                size_t* d_jacobian_diagonal_elements,
-                                                size_t jacobian_diagonal_elements_size,
-                                                double alpha)
+namespace micm
 {
-        size_t tid = blockIdx.x * blockDim.x + threadIdx.x;
-        if (tid < n_grids)
+  namespace cuda
+  {
+    __global__ void AlphaMinusJacobianKernel(
+        size_t n_grids,
+        double* d_jacobian,
+        size_t* d_jacobian_diagonal_elements,
+        size_t jacobian_diagonal_elements_size,
+        double alpha)
     {
+      size_t tid = blockIdx.x * blockDim.x + threadIdx.x;
+      if (tid < n_grids)
+      {
         for (int j = 0; j < jacobian_diagonal_elements_size; j++)
         {
-            size_t jacobian_index = d_jacobian_diagonal_elements[j];
-            d_jacobian[jacobian_index + tid] += alpha; 
+          size_t jacobian_index = d_jacobian_diagonal_elements[j];
+          d_jacobian[jacobian_index + tid] += alpha;
         }
-    } 
-}
-        
-        std::chrono::nanoseconds AlphaMinusJacobianDriver(
-                        CudaSparseMatrixParam& sparseMatrix,
-                        const std::vector<size_t> jacobian_diagonal_elements,
-                        double alpha)
-    {
-        //device pointers
-        double* d_jacobian;
-        size_t* d_jacobian_diagonal_elements; 
-        cudaMalloc(&d_jacobian, sizeof(double)* sparseMatrix.jacobian_size_); 
-        cudaMalloc(&d_jacobian_diagonal_elements, sizeof(size_t)* jacobian_diagonal_elements.size());
-        cudaMemcpy(d_jacobian, sparseMatrix.jacobian_, sizeof(double)* sparseMatrix.jacobian_size_, cudaMemcpyHostToDevice); 
-        cudaMemcpy(d_jacobian_diagonal_elements, jacobian_diagonal_elements.data(), sizeof(size_t)* jacobian_diagonal_elements.size(), cudaMemcpyHostToDevice);
+      }
+    }
 
-        //kernel call
-        size_t num_block = (sparseMatrix.n_grids_ + BLOCK_SIZE - 1) / BLOCK_SIZE;
-        auto startTime = std::chrono::high_resolution_clock::now();
-        AlphaMinusJacobianKernel<<<num_block, BLOCK_SIZE>>>(sparseMatrix.n_grids_,
-                                d_jacobian,  
-                                d_jacobian_diagonal_elements,
-                                jacobian_diagonal_elements.size(),
-                                alpha);
+    std::chrono::nanoseconds AlphaMinusJacobianDriver(
+        CudaSparseMatrixParam& sparseMatrix,
+        const std::vector<size_t> jacobian_diagonal_elements,
+        double alpha)
+    {
+      // device pointers
+      double* d_jacobian;
+      size_t* d_jacobian_diagonal_elements;
+      cudaMalloc(&d_jacobian, sizeof(double) * sparseMatrix.jacobian_size_);
+      cudaMalloc(&d_jacobian_diagonal_elements, sizeof(size_t) * jacobian_diagonal_elements.size());
+      cudaMemcpy(d_jacobian, sparseMatrix.jacobian_, sizeof(double) * sparseMatrix.jacobian_size_, cudaMemcpyHostToDevice);
+      cudaMemcpy(
+          d_jacobian_diagonal_elements,
+          jacobian_diagonal_elements.data(),
+          sizeof(size_t) * jacobian_diagonal_elements.size(),
+          cudaMemcpyHostToDevice);
 
+      // kernel call
+      size_t num_block = (sparseMatrix.n_grids_ + BLOCK_SIZE - 1) / BLOCK_SIZE;
+      auto startTime = std::chrono::high_resolution_clock::now();
+      AlphaMinusJacobianKernel<<<num_block, BLOCK_SIZE>>>(
+          sparseMatrix.n_grids_, d_jacobian, d_jacobian_diagonal_elements, jacobian_diagonal_elements.size(), alpha);
 
-        cudaDeviceSynchronize();
-        auto endTime = std::chrono::high_resolution_clock::now();
-        auto kernel_duration = std::chrono::duration_cast<std::chrono::nanoseconds>(endTime - startTime);
-        cudaMemcpy(sparseMatrix.jacobian_, d_jacobian, sizeof(double)* sparseMatrix.jacobian_size_, cudaMemcpyDeviceToHost);
-        cudaFree(d_jacobian);
-        cudaFree(d_jacobian_diagonal_elements);
-        
-        return kernel_duration; 
+      cudaDeviceSynchronize();
+      auto endTime = std::chrono::high_resolution_clock::now();
+      auto kernel_duration = std::chrono::duration_cast<std::chrono::nanoseconds>(endTime - startTime);
+      cudaMemcpy(sparseMatrix.jacobian_, d_jacobian, sizeof(double) * sparseMatrix.jacobian_size_, cudaMemcpyDeviceToHost);
+      cudaFree(d_jacobian);
+      cudaFree(d_jacobian_diagonal_elements);
 
+      return kernel_duration;
     }
 
-    }// end cuda
-}// end mimc 
+  }  // namespace cuda
+}  // namespace micm
diff --git a/test/unit/solver/test_cuda_rosenbrock.cpp b/test/unit/solver/test_cuda_rosenbrock.cpp
index 8756d6473..7c897157e 100644
--- a/test/unit/solver/test_cuda_rosenbrock.cpp
+++ b/test/unit/solver/test_cuda_rosenbrock.cpp
@@ -1,14 +1,13 @@
 #include <gtest/gtest.h>
+
 #include <micm/process/arrhenius_rate_constant.hpp>
+#include <micm/solver/cuda_rosenbrock.cuh>
 #include <micm/solver/cuda_rosenbrock.hpp>
 #include <micm/solver/rosenbrock.hpp>
-#include <micm/solver/cuda_rosenbrock.hpp>
 #include <micm/util/matrix.hpp>
 #include <micm/util/sparse_matrix.hpp>
 #include <micm/util/sparse_matrix_vector_ordering.hpp>
 #include <micm/util/vector_matrix.hpp>
-#include <micm/solver/cuda_rosenbrock.cuh>
-
 
 template<class T>
 using Group1VectorMatrix = micm::VectorMatrix<T, 1>;
@@ -28,7 +27,13 @@ using Group3SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorO
 template<class T>
 using Group4SparseVectorMatrix = micm::SparseMatrix<T, micm::SparseMatrixVectorOrdering<4>>;
 
-template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy, class RosenbrockPolicy>
+template<
+    template<class>
+    class MatrixPolicy,
+    template<class>
+    class SparseMatrixPolicy,
+    class LinearSolverPolicy,
+    class RosenbrockPolicy>
 RosenbrockPolicy getSolver(std::size_t number_of_grid_cells)
 {
   // ---- foo  bar  baz  quz  quuz
@@ -70,7 +75,11 @@ RosenbrockPolicy getSolver(std::size_t number_of_grid_cells)
 template<template<class> class MatrixPolicy, template<class> class SparseMatrixPolicy, class LinearSolverPolicy>
 void testAlphaMinusJacobian(std::size_t number_of_grid_cells)
 {
-  auto gpu_solver = getSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy, micm::CudaRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>>(number_of_grid_cells);  
+  auto gpu_solver = getSolver<
+      MatrixPolicy,
+      SparseMatrixPolicy,
+      LinearSolverPolicy,
+      micm::CudaRosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, LinearSolverPolicy>>(number_of_grid_cells);
   auto jacobian = gpu_solver.GetState().jacobian_;
   EXPECT_EQ(jacobian.size(), number_of_grid_cells);
   EXPECT_EQ(jacobian[0].size(), 5);
@@ -94,8 +103,8 @@ void testAlphaMinusJacobian(std::size_t number_of_grid_cells)
     jacobian[i_cell][4][2] = 53.6;
     jacobian[i_cell][4][4] = 1.0;
   }
-  auto cpu_jacobian = jacobian; 
-  
+  auto cpu_jacobian = jacobian;
+
   gpu_solver.AlphaMinusJacobian(jacobian, 42.042);
   for (std::size_t i_cell = 0; i_cell < number_of_grid_cells; ++i_cell)
   {
@@ -114,25 +123,37 @@ void testAlphaMinusJacobian(std::size_t number_of_grid_cells)
     EXPECT_EQ(jacobian[i_cell][4][4], 42.042 - 1.0);
   }
 
-  auto cpu_solver = getSolver<MatrixPolicy, SparseMatrixPolicy, micm::LinearSolver<double, SparseMatrixPolicy>, micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, micm::LinearSolver<double, SparseMatrixPolicy>>>(number_of_grid_cells);
+  auto cpu_solver = getSolver<
+      MatrixPolicy,
+      SparseMatrixPolicy,
+      micm::LinearSolver<double, SparseMatrixPolicy>,
+      micm::RosenbrockSolver<MatrixPolicy, SparseMatrixPolicy, micm::LinearSolver<double, SparseMatrixPolicy>>>(
+      number_of_grid_cells);
   cpu_solver.AlphaMinusJacobian(cpu_jacobian, 42.042);
-  std::vector<double> jacobian_gpu_vector = jacobian.AsVector(); 
-  std::vector<double> jacobian_cpu_vector = cpu_jacobian.AsVector(); 
-  for (int i = 0; i < jacobian_cpu_vector.size(); i++){
+  std::vector<double> jacobian_gpu_vector = jacobian.AsVector();
+  std::vector<double> jacobian_cpu_vector = cpu_jacobian.AsVector();
+  for (int i = 0; i < jacobian_cpu_vector.size(); i++)
+  {
     EXPECT_EQ(jacobian_cpu_vector[i], jacobian_gpu_vector[i]);
   }
-
 }
 
 TEST(RosenbrockSolver, DenseAlphaMinusJacobian)
 {
-   testAlphaMinusJacobian<Group1VectorMatrix, Group1SparseVectorMatrix, micm::CudaLinearSolver<double, Group1SparseVectorMatrix>>(
-       1);
-   testAlphaMinusJacobian<Group2VectorMatrix, Group2SparseVectorMatrix, micm::CudaLinearSolver<double, Group2SparseVectorMatrix>>(
-       2);
-  testAlphaMinusJacobian<Group3VectorMatrix, Group3SparseVectorMatrix, micm::CudaLinearSolver<double, Group3SparseVectorMatrix>>(
-      3);
-  testAlphaMinusJacobian<Group4VectorMatrix, Group4SparseVectorMatrix, micm::CudaLinearSolver<double, Group4SparseVectorMatrix>>(
-      4);
+  testAlphaMinusJacobian<
+      Group1VectorMatrix,
+      Group1SparseVectorMatrix,
+      micm::CudaLinearSolver<double, Group1SparseVectorMatrix>>(1);
+  testAlphaMinusJacobian<
+      Group2VectorMatrix,
+      Group2SparseVectorMatrix,
+      micm::CudaLinearSolver<double, Group2SparseVectorMatrix>>(2);
+  testAlphaMinusJacobian<
+      Group3VectorMatrix,
+      Group3SparseVectorMatrix,
+      micm::CudaLinearSolver<double, Group3SparseVectorMatrix>>(3);
+  testAlphaMinusJacobian<
+      Group4VectorMatrix,
+      Group4SparseVectorMatrix,
+      micm::CudaLinearSolver<double, Group4SparseVectorMatrix>>(4);
 }
-
diff --git a/test/unit/solver/test_rosenbrock.cpp b/test/unit/solver/test_rosenbrock.cpp
index cb3731d39..c54fb0f1d 100644
--- a/test/unit/solver/test_rosenbrock.cpp
+++ b/test/unit/solver/test_rosenbrock.cpp
@@ -1,4 +1,5 @@
 #include <gtest/gtest.h>
+
 #include <micm/process/arrhenius_rate_constant.hpp>
 #include <micm/solver/rosenbrock.hpp>
 #include <micm/util/matrix.hpp>
@@ -95,7 +96,6 @@ void testAlphaMinusJacobian(std::size_t number_of_grid_cells)
   }
 }
 
-
 TEST(RosenbrockSolver, StandardAlphaMinusJacobian)
 {
   testAlphaMinusJacobian<micm::Matrix, SparseMatrix, micm::LinearSolver<double, SparseMatrix>>(1);

From 14f71ab31b0b3bd76848929495250d751791b1bb Mon Sep 17 00:00:00 2001
From: Jiwon Gim <jiwongim@ucar.edu>
Date: Tue, 2 Jan 2024 16:04:39 -0700
Subject: [PATCH 313/318] Happy new year\!

---
 README.md                                                     | 4 ++--
 include/micm/configure/solver_config.hpp                      | 2 +-
 include/micm/jit/jit_compiler.hpp                             | 2 +-
 include/micm/jit/jit_function.hpp                             | 2 +-
 include/micm/process/arrhenius_rate_constant.hpp              | 2 +-
 include/micm/process/branched_rate_constant.hpp               | 2 +-
 include/micm/process/cuda_process_set.cuh                     | 2 +-
 include/micm/process/cuda_process_set.hpp                     | 2 +-
 include/micm/process/jit_process_set.hpp                      | 2 +-
 include/micm/process/process.hpp                              | 2 +-
 include/micm/process/process_set.hpp                          | 2 +-
 include/micm/process/rate_constant.hpp                        | 2 +-
 include/micm/process/surface_rate_constant.hpp                | 2 +-
 .../process/ternary_chemical_activation_rate_constant.hpp     | 2 +-
 include/micm/process/troe_rate_constant.hpp                   | 2 +-
 include/micm/process/tunneling_rate_constant.hpp              | 2 +-
 include/micm/process/user_defined_rate_constant.hpp           | 2 +-
 include/micm/solver/cuda_linear_solver.cuh                    | 2 +-
 include/micm/solver/cuda_linear_solver.hpp                    | 2 +-
 include/micm/solver/cuda_lu_decomposition.cuh                 | 2 +-
 include/micm/solver/cuda_lu_decomposition.hpp                 | 2 +-
 include/micm/solver/cuda_rosenbrock.cuh                       | 2 +-
 include/micm/solver/jit_linear_solver.hpp                     | 2 +-
 include/micm/solver/jit_linear_solver.inl                     | 2 +-
 include/micm/solver/jit_lu_decomposition.hpp                  | 2 +-
 include/micm/solver/jit_lu_decomposition.inl                  | 2 +-
 include/micm/solver/jit_rosenbrock.hpp                        | 2 +-
 include/micm/solver/linear_solver.hpp                         | 2 +-
 include/micm/solver/linear_solver.inl                         | 2 +-
 include/micm/solver/lu_decomposition.hpp                      | 2 +-
 include/micm/solver/lu_decomposition.inl                      | 2 +-
 include/micm/solver/rosenbrock.hpp                            | 2 +-
 include/micm/solver/rosenbrock.inl                            | 2 +-
 include/micm/solver/rosenbrock_solver_parameters.hpp          | 2 +-
 include/micm/solver/state.inl                                 | 2 +-
 include/micm/system/conditions.hpp                            | 2 +-
 include/micm/system/phase.hpp                                 | 2 +-
 include/micm/system/species.hpp                               | 2 +-
 include/micm/system/system.hpp                                | 2 +-
 include/micm/util/constants.hpp                               | 2 +-
 include/micm/util/cuda_param.hpp                              | 2 +-
 include/micm/util/jacobian.hpp                                | 2 +-
 include/micm/util/matrix.hpp                                  | 2 +-
 include/micm/util/property_keys.hpp                           | 2 +-
 include/micm/util/random_string.hpp                           | 2 +-
 include/micm/util/sparse_matrix.hpp                           | 2 +-
 include/micm/util/sparse_matrix_standard_ordering.hpp         | 2 +-
 include/micm/util/sparse_matrix_vector_ordering.hpp           | 2 +-
 include/micm/util/vector_matrix.hpp                           | 2 +-
 src/process/process_set.cu                                    | 2 +-
 src/solver/linear_solver.cu                                   | 2 +-
 src/solver/lu_decomposition.cu                                | 2 +-
 src/solver/rosenbrock.cu                                      | 2 +-
 test/regression/RosenbrockChapman/chapman_ode_solver.hpp      | 2 +-
 test/unit/process/forcing_calculation.cpp                     | 2 +-
 test/unit/process/forcing_calculation.hpp                     | 2 +-
 test/unit/process/test_jit_forcing_calculation.cpp            | 2 +-
 test/unit/process/test_process.cpp                            | 2 +-
 58 files changed, 59 insertions(+), 59 deletions(-)

diff --git a/README.md b/README.md
index 41645ae0d..db14c1c9e 100644
--- a/README.md
+++ b/README.md
@@ -14,7 +14,7 @@ Model Independent Chemical Module. MICM can be used to configure and solve atmos
 [![FAIR checklist badge](https://fairsoftwarechecklist.net/badge.svg)](https://fairsoftwarechecklist.net/v0.2?f=31&a=32113&i=22322&r=123)
 
 
-Copyright (C) 2018-2023 National Center for Atmospheric Research
+Copyright (C) 2018-2024 National Center for Atmospheric Research
 
 
 <p align="center">
@@ -240,4 +240,4 @@ installation and usage instructions.
 
 - [Apache 2.0](/LICENSE)
 
-Copyright (C) 2018-2023 National Center for Atmospheric Research
+Copyright (C) 2018-2024 National Center for Atmospheric Research
diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 3d5621278..28c439bbd 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 
diff --git a/include/micm/jit/jit_compiler.hpp b/include/micm/jit/jit_compiler.hpp
index 5c2180879..d085bbee3 100644
--- a/include/micm/jit/jit_compiler.hpp
+++ b/include/micm/jit/jit_compiler.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 //
diff --git a/include/micm/jit/jit_function.hpp b/include/micm/jit/jit_function.hpp
index 1a71a965e..880187510 100644
--- a/include/micm/jit/jit_function.hpp
+++ b/include/micm/jit/jit_function.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/arrhenius_rate_constant.hpp b/include/micm/process/arrhenius_rate_constant.hpp
index ca9f7b667..aae5937ae 100644
--- a/include/micm/process/arrhenius_rate_constant.hpp
+++ b/include/micm/process/arrhenius_rate_constant.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/branched_rate_constant.hpp b/include/micm/process/branched_rate_constant.hpp
index bbb0738b8..457206942 100644
--- a/include/micm/process/branched_rate_constant.hpp
+++ b/include/micm/process/branched_rate_constant.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/cuda_process_set.cuh b/include/micm/process/cuda_process_set.cuh
index 38cb81113..524a57d5d 100644
--- a/include/micm/process/cuda_process_set.cuh
+++ b/include/micm/process/cuda_process_set.cuh
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/cuda_process_set.hpp b/include/micm/process/cuda_process_set.hpp
index 08e1a5f6e..9eb8303e6 100644
--- a/include/micm/process/cuda_process_set.hpp
+++ b/include/micm/process/cuda_process_set.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/jit_process_set.hpp b/include/micm/process/jit_process_set.hpp
index 5aac29b9c..504ab4af2 100644
--- a/include/micm/process/jit_process_set.hpp
+++ b/include/micm/process/jit_process_set.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/process.hpp b/include/micm/process/process.hpp
index cf86a4692..7976e486e 100644
--- a/include/micm/process/process.hpp
+++ b/include/micm/process/process.hpp
@@ -1,4 +1,4 @@
-/* Copyright (C) 2023 National Center for Atmospheric Research,
+/* Copyright (C) 2024 National Center for Atmospheric Research,
  *
  * SPDX-License-Identifier: Apache-2.0
  */
diff --git a/include/micm/process/process_set.hpp b/include/micm/process/process_set.hpp
index 53bf1fbbf..612dba6b6 100644
--- a/include/micm/process/process_set.hpp
+++ b/include/micm/process/process_set.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/rate_constant.hpp b/include/micm/process/rate_constant.hpp
index 77be53503..153f4a979 100644
--- a/include/micm/process/rate_constant.hpp
+++ b/include/micm/process/rate_constant.hpp
@@ -1,4 +1,4 @@
-/* Copyright (C) 2023 National Center for Atmospheric Research,
+/* Copyright (C) 2024 National Center for Atmospheric Research,
  *
  * SPDX-License-Identifier: Apache-2.0
  */
diff --git a/include/micm/process/surface_rate_constant.hpp b/include/micm/process/surface_rate_constant.hpp
index 8049d3846..ed7fb271c 100644
--- a/include/micm/process/surface_rate_constant.hpp
+++ b/include/micm/process/surface_rate_constant.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/ternary_chemical_activation_rate_constant.hpp b/include/micm/process/ternary_chemical_activation_rate_constant.hpp
index 7a2ea4623..918ae1956 100644
--- a/include/micm/process/ternary_chemical_activation_rate_constant.hpp
+++ b/include/micm/process/ternary_chemical_activation_rate_constant.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/troe_rate_constant.hpp b/include/micm/process/troe_rate_constant.hpp
index ff2b08715..9094483a2 100644
--- a/include/micm/process/troe_rate_constant.hpp
+++ b/include/micm/process/troe_rate_constant.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/tunneling_rate_constant.hpp b/include/micm/process/tunneling_rate_constant.hpp
index 0b07bae52..371230229 100644
--- a/include/micm/process/tunneling_rate_constant.hpp
+++ b/include/micm/process/tunneling_rate_constant.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/user_defined_rate_constant.hpp b/include/micm/process/user_defined_rate_constant.hpp
index 480c6f407..5aac41195 100644
--- a/include/micm/process/user_defined_rate_constant.hpp
+++ b/include/micm/process/user_defined_rate_constant.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/solver/cuda_linear_solver.cuh b/include/micm/solver/cuda_linear_solver.cuh
index f2014dbb0..6ba053c40 100644
--- a/include/micm/solver/cuda_linear_solver.cuh
+++ b/include/micm/solver/cuda_linear_solver.cuh
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 
diff --git a/include/micm/solver/cuda_linear_solver.hpp b/include/micm/solver/cuda_linear_solver.hpp
index fe80cd954..b85357f7d 100644
--- a/include/micm/solver/cuda_linear_solver.hpp
+++ b/include/micm/solver/cuda_linear_solver.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/solver/cuda_lu_decomposition.cuh b/include/micm/solver/cuda_lu_decomposition.cuh
index 70ff61fbe..f4f5b94da 100644
--- a/include/micm/solver/cuda_lu_decomposition.cuh
+++ b/include/micm/solver/cuda_lu_decomposition.cuh
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/solver/cuda_lu_decomposition.hpp b/include/micm/solver/cuda_lu_decomposition.hpp
index 6315b3d44..386b67c04 100644
--- a/include/micm/solver/cuda_lu_decomposition.hpp
+++ b/include/micm/solver/cuda_lu_decomposition.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/solver/cuda_rosenbrock.cuh b/include/micm/solver/cuda_rosenbrock.cuh
index 591960967..906efe06c 100644
--- a/include/micm/solver/cuda_rosenbrock.cuh
+++ b/include/micm/solver/cuda_rosenbrock.cuh
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research
+// Copyright (C) 2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
 #include <chrono>
diff --git a/include/micm/solver/jit_linear_solver.hpp b/include/micm/solver/jit_linear_solver.hpp
index 017b053ca..8a76f3f0b 100644
--- a/include/micm/solver/jit_linear_solver.hpp
+++ b/include/micm/solver/jit_linear_solver.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research
+// Copyright (C) 2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
 #pragma once
diff --git a/include/micm/solver/jit_linear_solver.inl b/include/micm/solver/jit_linear_solver.inl
index 01da3852e..5480a95c2 100644
--- a/include/micm/solver/jit_linear_solver.inl
+++ b/include/micm/solver/jit_linear_solver.inl
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research
+// Copyright (C) 2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
 namespace micm
diff --git a/include/micm/solver/jit_lu_decomposition.hpp b/include/micm/solver/jit_lu_decomposition.hpp
index e5b2959ab..8680c1e5e 100644
--- a/include/micm/solver/jit_lu_decomposition.hpp
+++ b/include/micm/solver/jit_lu_decomposition.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research
+// Copyright (C) 2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
 #pragma once
diff --git a/include/micm/solver/jit_lu_decomposition.inl b/include/micm/solver/jit_lu_decomposition.inl
index 71677ac28..b07f0077d 100644
--- a/include/micm/solver/jit_lu_decomposition.inl
+++ b/include/micm/solver/jit_lu_decomposition.inl
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research
+// Copyright (C) 2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
 namespace micm
diff --git a/include/micm/solver/jit_rosenbrock.hpp b/include/micm/solver/jit_rosenbrock.hpp
index 633fca4d8..53dfa635f 100644
--- a/include/micm/solver/jit_rosenbrock.hpp
+++ b/include/micm/solver/jit_rosenbrock.hpp
@@ -1,4 +1,4 @@
-/* Copyright (C) 2023 National Center for Atmospheric Research,
+/* Copyright (C) 2024 National Center for Atmospheric Research,
  *
  * SPDX-License-Identifier: Apache-2.0
  *
diff --git a/include/micm/solver/linear_solver.hpp b/include/micm/solver/linear_solver.hpp
index 9af334502..b3064feb5 100644
--- a/include/micm/solver/linear_solver.hpp
+++ b/include/micm/solver/linear_solver.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research
+// Copyright (C) 2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
 #pragma once
diff --git a/include/micm/solver/linear_solver.inl b/include/micm/solver/linear_solver.inl
index 74d2724c1..942d271dd 100644
--- a/include/micm/solver/linear_solver.inl
+++ b/include/micm/solver/linear_solver.inl
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research
+// Copyright (C) 2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
 namespace micm
diff --git a/include/micm/solver/lu_decomposition.hpp b/include/micm/solver/lu_decomposition.hpp
index 79681e2e4..10b35bb4b 100644
--- a/include/micm/solver/lu_decomposition.hpp
+++ b/include/micm/solver/lu_decomposition.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research
+// Copyright (C) 2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
 #pragma once
diff --git a/include/micm/solver/lu_decomposition.inl b/include/micm/solver/lu_decomposition.inl
index 0483970ef..6517b37af 100644
--- a/include/micm/solver/lu_decomposition.inl
+++ b/include/micm/solver/lu_decomposition.inl
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research
+// Copyright (C) 2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
 namespace micm
diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index ab1bc21f9..91e0c5b31 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -1,4 +1,4 @@
-/* Copyright (C) 2023 National Center for Atmospheric Research,
+/* Copyright (C) 2024 National Center for Atmospheric Research,
  *
  * SPDX-License-Identifier: Apache-2.0
  *
diff --git a/include/micm/solver/rosenbrock.inl b/include/micm/solver/rosenbrock.inl
index bbc2077b8..ab2c01ab5 100644
--- a/include/micm/solver/rosenbrock.inl
+++ b/include/micm/solver/rosenbrock.inl
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research
+// Copyright (C) 2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
 #define TIMED_METHOD(assigned_increment, time_it, method, ...)                                 \
diff --git a/include/micm/solver/rosenbrock_solver_parameters.hpp b/include/micm/solver/rosenbrock_solver_parameters.hpp
index 2b00af10f..3912c6d40 100644
--- a/include/micm/solver/rosenbrock_solver_parameters.hpp
+++ b/include/micm/solver/rosenbrock_solver_parameters.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research
+// Copyright (C) 2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
 
diff --git a/include/micm/solver/state.inl b/include/micm/solver/state.inl
index 96be1d2b0..1ce7a0359 100644
--- a/include/micm/solver/state.inl
+++ b/include/micm/solver/state.inl
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research
+// Copyright (C) 2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
 namespace micm
diff --git a/include/micm/system/conditions.hpp b/include/micm/system/conditions.hpp
index e077b73cf..1e3c19ce4 100644
--- a/include/micm/system/conditions.hpp
+++ b/include/micm/system/conditions.hpp
@@ -1,4 +1,4 @@
-/* Copyright (C) 2023 National Center for Atmospheric Research,
+/* Copyright (C) 2024 National Center for Atmospheric Research,
  *
  * SPDX-License-Identifier: Apache-2.0
  */
diff --git a/include/micm/system/phase.hpp b/include/micm/system/phase.hpp
index f81add256..bdf5fd6d3 100644
--- a/include/micm/system/phase.hpp
+++ b/include/micm/system/phase.hpp
@@ -1,4 +1,4 @@
-/* Copyright (C) 2023 National Center for Atmospheric Research,
+/* Copyright (C) 2024 National Center for Atmospheric Research,
  *
  * SPDX-License-Identifier: Apache-2.0
  */
diff --git a/include/micm/system/species.hpp b/include/micm/system/species.hpp
index 6dd194383..0c0b5f653 100644
--- a/include/micm/system/species.hpp
+++ b/include/micm/system/species.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/system/system.hpp b/include/micm/system/system.hpp
index e1461190f..a2287c160 100644
--- a/include/micm/system/system.hpp
+++ b/include/micm/system/system.hpp
@@ -1,4 +1,4 @@
-/* Copyright (C) 2023 National Center for Atmospheric Research,
+/* Copyright (C) 2024 National Center for Atmospheric Research,
  *
  * SPDX-License-Identifier: Apache-2.0
  */
diff --git a/include/micm/util/constants.hpp b/include/micm/util/constants.hpp
index e8315b64a..5fc8abd6c 100644
--- a/include/micm/util/constants.hpp
+++ b/include/micm/util/constants.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/util/cuda_param.hpp b/include/micm/util/cuda_param.hpp
index 2f680e915..4962a9302 100644
--- a/include/micm/util/cuda_param.hpp
+++ b/include/micm/util/cuda_param.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 
diff --git a/include/micm/util/jacobian.hpp b/include/micm/util/jacobian.hpp
index ad18dc3d4..b3af0e338 100644
--- a/include/micm/util/jacobian.hpp
+++ b/include/micm/util/jacobian.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/util/matrix.hpp b/include/micm/util/matrix.hpp
index 1d2f4afc1..957f216dc 100644
--- a/include/micm/util/matrix.hpp
+++ b/include/micm/util/matrix.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/util/property_keys.hpp b/include/micm/util/property_keys.hpp
index ee494d2ad..8e93bb78a 100644
--- a/include/micm/util/property_keys.hpp
+++ b/include/micm/util/property_keys.hpp
@@ -1,5 +1,5 @@
 
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/util/random_string.hpp b/include/micm/util/random_string.hpp
index b3f011107..01cdb38ae 100644
--- a/include/micm/util/random_string.hpp
+++ b/include/micm/util/random_string.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/util/sparse_matrix.hpp b/include/micm/util/sparse_matrix.hpp
index a23f7e109..40730fbf1 100644
--- a/include/micm/util/sparse_matrix.hpp
+++ b/include/micm/util/sparse_matrix.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/util/sparse_matrix_standard_ordering.hpp b/include/micm/util/sparse_matrix_standard_ordering.hpp
index f1457bafe..132101d2f 100644
--- a/include/micm/util/sparse_matrix_standard_ordering.hpp
+++ b/include/micm/util/sparse_matrix_standard_ordering.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/util/sparse_matrix_vector_ordering.hpp b/include/micm/util/sparse_matrix_vector_ordering.hpp
index 19f76e668..ea5fdafbd 100644
--- a/include/micm/util/sparse_matrix_vector_ordering.hpp
+++ b/include/micm/util/sparse_matrix_vector_ordering.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/util/vector_matrix.hpp b/include/micm/util/vector_matrix.hpp
index edae9ed14..1de36a410 100644
--- a/include/micm/util/vector_matrix.hpp
+++ b/include/micm/util/vector_matrix.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/src/process/process_set.cu b/src/process/process_set.cu
index b515a6d02..6d9fed404 100644
--- a/src/process/process_set.cu
+++ b/src/process/process_set.cu
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 
diff --git a/src/solver/linear_solver.cu b/src/solver/linear_solver.cu
index 947572d27..fc2d77aef 100644
--- a/src/solver/linear_solver.cu
+++ b/src/solver/linear_solver.cu
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 
diff --git a/src/solver/lu_decomposition.cu b/src/solver/lu_decomposition.cu
index 6c1826e88..e5e659f4b 100644
--- a/src/solver/lu_decomposition.cu
+++ b/src/solver/lu_decomposition.cu
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #include <chrono>
diff --git a/src/solver/rosenbrock.cu b/src/solver/rosenbrock.cu
index 8992221b6..399034f81 100644
--- a/src/solver/rosenbrock.cu
+++ b/src/solver/rosenbrock.cu
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research
+// Copyright (C) 2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
 #include <chrono>
diff --git a/test/regression/RosenbrockChapman/chapman_ode_solver.hpp b/test/regression/RosenbrockChapman/chapman_ode_solver.hpp
index cd2f20eda..1fc646e50 100644
--- a/test/regression/RosenbrockChapman/chapman_ode_solver.hpp
+++ b/test/regression/RosenbrockChapman/chapman_ode_solver.hpp
@@ -1,4 +1,4 @@
-/* Copyright (C) 2023 National Center for Atmospheric Research,
+/* Copyright (C) 2024 National Center for Atmospheric Research,
  *
  * SPDX-License-Identifier: Apache-2.0
  */
diff --git a/test/unit/process/forcing_calculation.cpp b/test/unit/process/forcing_calculation.cpp
index c402b1c0d..456203412 100644
--- a/test/unit/process/forcing_calculation.cpp
+++ b/test/unit/process/forcing_calculation.cpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 // SPDX-License-Identifier: Apache-2.0
 //
 // A function hard-coded to calculate forcing for a toy chemistry system.
diff --git a/test/unit/process/forcing_calculation.hpp b/test/unit/process/forcing_calculation.hpp
index 116d2ba75..1b9fbc954 100644
--- a/test/unit/process/forcing_calculation.hpp
+++ b/test/unit/process/forcing_calculation.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 // SPDX-License-Identifier: Apache-2.0
 //
 // A function hard-coded to calculate forcing for a toy chemistry system.
diff --git a/test/unit/process/test_jit_forcing_calculation.cpp b/test/unit/process/test_jit_forcing_calculation.cpp
index 4b7d93261..cae69fe76 100644
--- a/test/unit/process/test_jit_forcing_calculation.cpp
+++ b/test/unit/process/test_jit_forcing_calculation.cpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 // SPDX-License-Identifier: Apache-2.0
 //
 // A comparison of the JITed forcing function with a hard-coded equivalent
diff --git a/test/unit/process/test_process.cpp b/test/unit/process/test_process.cpp
index 2088a47ea..8d7f29e5b 100644
--- a/test/unit/process/test_process.cpp
+++ b/test/unit/process/test_process.cpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2023 National Center for Atmospheric Research,
+// Copyright (C) 2024 National Center for Atmospheric Research,
 // SPDX-License-Identifier: Apache-2.0
 #include <gtest/gtest.h>
 

From b2d140f5740216c36a3b29a5400e6a75d086717f Mon Sep 17 00:00:00 2001
From: Jiwon Gim <jiwongim@ucar.edu>
Date: Tue, 2 Jan 2024 16:25:14 -0700
Subject: [PATCH 314/318] update the range

---
 include/micm/configure/solver_config.hpp                        | 2 +-
 include/micm/jit/jit_compiler.hpp                               | 2 +-
 include/micm/jit/jit_function.hpp                               | 2 +-
 include/micm/process/arrhenius_rate_constant.hpp                | 2 +-
 include/micm/process/branched_rate_constant.hpp                 | 2 +-
 include/micm/process/cuda_process_set.cuh                       | 2 +-
 include/micm/process/cuda_process_set.hpp                       | 2 +-
 include/micm/process/jit_process_set.hpp                        | 2 +-
 include/micm/process/process.hpp                                | 2 +-
 include/micm/process/process_set.hpp                            | 2 +-
 include/micm/process/rate_constant.hpp                          | 2 +-
 include/micm/process/surface_rate_constant.hpp                  | 2 +-
 .../micm/process/ternary_chemical_activation_rate_constant.hpp  | 2 +-
 include/micm/process/troe_rate_constant.hpp                     | 2 +-
 include/micm/process/tunneling_rate_constant.hpp                | 2 +-
 include/micm/process/user_defined_rate_constant.hpp             | 2 +-
 include/micm/solver/cuda_linear_solver.cuh                      | 2 +-
 include/micm/solver/cuda_linear_solver.hpp                      | 2 +-
 include/micm/solver/cuda_lu_decomposition.cuh                   | 2 +-
 include/micm/solver/cuda_lu_decomposition.hpp                   | 2 +-
 include/micm/solver/cuda_rosenbrock.cuh                         | 2 +-
 include/micm/solver/jit_linear_solver.hpp                       | 2 +-
 include/micm/solver/jit_linear_solver.inl                       | 2 +-
 include/micm/solver/jit_lu_decomposition.hpp                    | 2 +-
 include/micm/solver/jit_lu_decomposition.inl                    | 2 +-
 include/micm/solver/jit_rosenbrock.hpp                          | 2 +-
 include/micm/solver/linear_solver.hpp                           | 2 +-
 include/micm/solver/linear_solver.inl                           | 2 +-
 include/micm/solver/lu_decomposition.hpp                        | 2 +-
 include/micm/solver/lu_decomposition.inl                        | 2 +-
 include/micm/solver/rosenbrock.hpp                              | 2 +-
 include/micm/solver/rosenbrock.inl                              | 2 +-
 include/micm/solver/rosenbrock_solver_parameters.hpp            | 2 +-
 include/micm/solver/state.inl                                   | 2 +-
 include/micm/system/conditions.hpp                              | 2 +-
 include/micm/system/phase.hpp                                   | 2 +-
 include/micm/system/species.hpp                                 | 2 +-
 include/micm/system/system.hpp                                  | 2 +-
 include/micm/util/constants.hpp                                 | 2 +-
 include/micm/util/cuda_param.hpp                                | 2 +-
 include/micm/util/jacobian.hpp                                  | 2 +-
 include/micm/util/matrix.hpp                                    | 2 +-
 include/micm/util/property_keys.hpp                             | 2 +-
 include/micm/util/random_string.hpp                             | 2 +-
 include/micm/util/sparse_matrix.hpp                             | 2 +-
 include/micm/util/sparse_matrix_standard_ordering.hpp           | 2 +-
 include/micm/util/sparse_matrix_vector_ordering.hpp             | 2 +-
 include/micm/util/vector_matrix.hpp                             | 2 +-
 src/process/process_set.cu                                      | 2 +-
 src/solver/linear_solver.cu                                     | 2 +-
 src/solver/lu_decomposition.cu                                  | 2 +-
 src/solver/rosenbrock.cu                                        | 2 +-
 test/regression/RosenbrockChapman/chapman_ode_solver.hpp        | 2 +-
 test/unit/process/forcing_calculation.cpp                       | 2 +-
 test/unit/process/forcing_calculation.hpp                       | 2 +-
 test/unit/process/test_jit_forcing_calculation.cpp              | 2 +-
 test/unit/process/test_process.cpp                              | 2 +-
 57 files changed, 57 insertions(+), 57 deletions(-)

diff --git a/include/micm/configure/solver_config.hpp b/include/micm/configure/solver_config.hpp
index 28c439bbd..5a8fbbf18 100644
--- a/include/micm/configure/solver_config.hpp
+++ b/include/micm/configure/solver_config.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 
diff --git a/include/micm/jit/jit_compiler.hpp b/include/micm/jit/jit_compiler.hpp
index d085bbee3..8e789a86a 100644
--- a/include/micm/jit/jit_compiler.hpp
+++ b/include/micm/jit/jit_compiler.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 //
diff --git a/include/micm/jit/jit_function.hpp b/include/micm/jit/jit_function.hpp
index 880187510..e8a98fee7 100644
--- a/include/micm/jit/jit_function.hpp
+++ b/include/micm/jit/jit_function.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/arrhenius_rate_constant.hpp b/include/micm/process/arrhenius_rate_constant.hpp
index aae5937ae..9b47e54bb 100644
--- a/include/micm/process/arrhenius_rate_constant.hpp
+++ b/include/micm/process/arrhenius_rate_constant.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/branched_rate_constant.hpp b/include/micm/process/branched_rate_constant.hpp
index 457206942..52a7a7bb7 100644
--- a/include/micm/process/branched_rate_constant.hpp
+++ b/include/micm/process/branched_rate_constant.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/cuda_process_set.cuh b/include/micm/process/cuda_process_set.cuh
index 524a57d5d..9f99f85f1 100644
--- a/include/micm/process/cuda_process_set.cuh
+++ b/include/micm/process/cuda_process_set.cuh
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/cuda_process_set.hpp b/include/micm/process/cuda_process_set.hpp
index 9eb8303e6..feb6e3626 100644
--- a/include/micm/process/cuda_process_set.hpp
+++ b/include/micm/process/cuda_process_set.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/jit_process_set.hpp b/include/micm/process/jit_process_set.hpp
index 504ab4af2..7190b18ee 100644
--- a/include/micm/process/jit_process_set.hpp
+++ b/include/micm/process/jit_process_set.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/process.hpp b/include/micm/process/process.hpp
index 7976e486e..dff1f7bd5 100644
--- a/include/micm/process/process.hpp
+++ b/include/micm/process/process.hpp
@@ -1,4 +1,4 @@
-/* Copyright (C) 2024 National Center for Atmospheric Research,
+/* Copyright (C) 2023-2024 National Center for Atmospheric Research,
  *
  * SPDX-License-Identifier: Apache-2.0
  */
diff --git a/include/micm/process/process_set.hpp b/include/micm/process/process_set.hpp
index 612dba6b6..e4ef4296c 100644
--- a/include/micm/process/process_set.hpp
+++ b/include/micm/process/process_set.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/rate_constant.hpp b/include/micm/process/rate_constant.hpp
index 153f4a979..d23eedc20 100644
--- a/include/micm/process/rate_constant.hpp
+++ b/include/micm/process/rate_constant.hpp
@@ -1,4 +1,4 @@
-/* Copyright (C) 2024 National Center for Atmospheric Research,
+/* Copyright (C) 2023-2024 National Center for Atmospheric Research,
  *
  * SPDX-License-Identifier: Apache-2.0
  */
diff --git a/include/micm/process/surface_rate_constant.hpp b/include/micm/process/surface_rate_constant.hpp
index ed7fb271c..d4a58b103 100644
--- a/include/micm/process/surface_rate_constant.hpp
+++ b/include/micm/process/surface_rate_constant.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/ternary_chemical_activation_rate_constant.hpp b/include/micm/process/ternary_chemical_activation_rate_constant.hpp
index 918ae1956..f6923c7a6 100644
--- a/include/micm/process/ternary_chemical_activation_rate_constant.hpp
+++ b/include/micm/process/ternary_chemical_activation_rate_constant.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/troe_rate_constant.hpp b/include/micm/process/troe_rate_constant.hpp
index 9094483a2..e6a5fc91e 100644
--- a/include/micm/process/troe_rate_constant.hpp
+++ b/include/micm/process/troe_rate_constant.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/tunneling_rate_constant.hpp b/include/micm/process/tunneling_rate_constant.hpp
index 371230229..cd66c7e34 100644
--- a/include/micm/process/tunneling_rate_constant.hpp
+++ b/include/micm/process/tunneling_rate_constant.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/process/user_defined_rate_constant.hpp b/include/micm/process/user_defined_rate_constant.hpp
index 5aac41195..c7a882085 100644
--- a/include/micm/process/user_defined_rate_constant.hpp
+++ b/include/micm/process/user_defined_rate_constant.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/solver/cuda_linear_solver.cuh b/include/micm/solver/cuda_linear_solver.cuh
index 6ba053c40..0fe90db06 100644
--- a/include/micm/solver/cuda_linear_solver.cuh
+++ b/include/micm/solver/cuda_linear_solver.cuh
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 
diff --git a/include/micm/solver/cuda_linear_solver.hpp b/include/micm/solver/cuda_linear_solver.hpp
index b85357f7d..c73af0fb9 100644
--- a/include/micm/solver/cuda_linear_solver.hpp
+++ b/include/micm/solver/cuda_linear_solver.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/solver/cuda_lu_decomposition.cuh b/include/micm/solver/cuda_lu_decomposition.cuh
index f4f5b94da..2d7c44f8c 100644
--- a/include/micm/solver/cuda_lu_decomposition.cuh
+++ b/include/micm/solver/cuda_lu_decomposition.cuh
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/solver/cuda_lu_decomposition.hpp b/include/micm/solver/cuda_lu_decomposition.hpp
index 386b67c04..21b469dc4 100644
--- a/include/micm/solver/cuda_lu_decomposition.hpp
+++ b/include/micm/solver/cuda_lu_decomposition.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/solver/cuda_rosenbrock.cuh b/include/micm/solver/cuda_rosenbrock.cuh
index 906efe06c..9992fe815 100644
--- a/include/micm/solver/cuda_rosenbrock.cuh
+++ b/include/micm/solver/cuda_rosenbrock.cuh
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research
+// Copyright (C) 2023-2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
 #include <chrono>
diff --git a/include/micm/solver/jit_linear_solver.hpp b/include/micm/solver/jit_linear_solver.hpp
index 8a76f3f0b..3263feb3d 100644
--- a/include/micm/solver/jit_linear_solver.hpp
+++ b/include/micm/solver/jit_linear_solver.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research
+// Copyright (C) 2023-2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
 #pragma once
diff --git a/include/micm/solver/jit_linear_solver.inl b/include/micm/solver/jit_linear_solver.inl
index 5480a95c2..c6ad36fb6 100644
--- a/include/micm/solver/jit_linear_solver.inl
+++ b/include/micm/solver/jit_linear_solver.inl
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research
+// Copyright (C) 2023-2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
 namespace micm
diff --git a/include/micm/solver/jit_lu_decomposition.hpp b/include/micm/solver/jit_lu_decomposition.hpp
index 8680c1e5e..c54277a59 100644
--- a/include/micm/solver/jit_lu_decomposition.hpp
+++ b/include/micm/solver/jit_lu_decomposition.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research
+// Copyright (C) 2023-2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
 #pragma once
diff --git a/include/micm/solver/jit_lu_decomposition.inl b/include/micm/solver/jit_lu_decomposition.inl
index b07f0077d..9a63c4fcf 100644
--- a/include/micm/solver/jit_lu_decomposition.inl
+++ b/include/micm/solver/jit_lu_decomposition.inl
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research
+// Copyright (C) 2023-2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
 namespace micm
diff --git a/include/micm/solver/jit_rosenbrock.hpp b/include/micm/solver/jit_rosenbrock.hpp
index 53dfa635f..42b614c34 100644
--- a/include/micm/solver/jit_rosenbrock.hpp
+++ b/include/micm/solver/jit_rosenbrock.hpp
@@ -1,4 +1,4 @@
-/* Copyright (C) 2024 National Center for Atmospheric Research,
+/* Copyright (C) 2023-2024 National Center for Atmospheric Research,
  *
  * SPDX-License-Identifier: Apache-2.0
  *
diff --git a/include/micm/solver/linear_solver.hpp b/include/micm/solver/linear_solver.hpp
index b3064feb5..8f4437579 100644
--- a/include/micm/solver/linear_solver.hpp
+++ b/include/micm/solver/linear_solver.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research
+// Copyright (C) 2023-2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
 #pragma once
diff --git a/include/micm/solver/linear_solver.inl b/include/micm/solver/linear_solver.inl
index 942d271dd..d51f74eba 100644
--- a/include/micm/solver/linear_solver.inl
+++ b/include/micm/solver/linear_solver.inl
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research
+// Copyright (C) 2023-2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
 namespace micm
diff --git a/include/micm/solver/lu_decomposition.hpp b/include/micm/solver/lu_decomposition.hpp
index 10b35bb4b..8c204184b 100644
--- a/include/micm/solver/lu_decomposition.hpp
+++ b/include/micm/solver/lu_decomposition.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research
+// Copyright (C) 2023-2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
 #pragma once
diff --git a/include/micm/solver/lu_decomposition.inl b/include/micm/solver/lu_decomposition.inl
index 6517b37af..08ba9e816 100644
--- a/include/micm/solver/lu_decomposition.inl
+++ b/include/micm/solver/lu_decomposition.inl
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research
+// Copyright (C) 2023-2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
 namespace micm
diff --git a/include/micm/solver/rosenbrock.hpp b/include/micm/solver/rosenbrock.hpp
index 91e0c5b31..999d4d499 100644
--- a/include/micm/solver/rosenbrock.hpp
+++ b/include/micm/solver/rosenbrock.hpp
@@ -1,4 +1,4 @@
-/* Copyright (C) 2024 National Center for Atmospheric Research,
+/* Copyright (C) 2023-2024 National Center for Atmospheric Research,
  *
  * SPDX-License-Identifier: Apache-2.0
  *
diff --git a/include/micm/solver/rosenbrock.inl b/include/micm/solver/rosenbrock.inl
index ab2c01ab5..b89d10ace 100644
--- a/include/micm/solver/rosenbrock.inl
+++ b/include/micm/solver/rosenbrock.inl
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research
+// Copyright (C) 2023-2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
 #define TIMED_METHOD(assigned_increment, time_it, method, ...)                                 \
diff --git a/include/micm/solver/rosenbrock_solver_parameters.hpp b/include/micm/solver/rosenbrock_solver_parameters.hpp
index 3912c6d40..9806fce97 100644
--- a/include/micm/solver/rosenbrock_solver_parameters.hpp
+++ b/include/micm/solver/rosenbrock_solver_parameters.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research
+// Copyright (C) 2023-2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
 
diff --git a/include/micm/solver/state.inl b/include/micm/solver/state.inl
index 1ce7a0359..6bb2b5143 100644
--- a/include/micm/solver/state.inl
+++ b/include/micm/solver/state.inl
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research
+// Copyright (C) 2023-2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 
 namespace micm
diff --git a/include/micm/system/conditions.hpp b/include/micm/system/conditions.hpp
index 1e3c19ce4..c8bf8b410 100644
--- a/include/micm/system/conditions.hpp
+++ b/include/micm/system/conditions.hpp
@@ -1,4 +1,4 @@
-/* Copyright (C) 2024 National Center for Atmospheric Research,
+/* Copyright (C) 2023-2024 National Center for Atmospheric Research,
  *
  * SPDX-License-Identifier: Apache-2.0
  */
diff --git a/include/micm/system/phase.hpp b/include/micm/system/phase.hpp
index bdf5fd6d3..87a465f00 100644
--- a/include/micm/system/phase.hpp
+++ b/include/micm/system/phase.hpp
@@ -1,4 +1,4 @@
-/* Copyright (C) 2024 National Center for Atmospheric Research,
+/* Copyright (C) 2023-2024 National Center for Atmospheric Research,
  *
  * SPDX-License-Identifier: Apache-2.0
  */
diff --git a/include/micm/system/species.hpp b/include/micm/system/species.hpp
index 0c0b5f653..869f3d13b 100644
--- a/include/micm/system/species.hpp
+++ b/include/micm/system/species.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/system/system.hpp b/include/micm/system/system.hpp
index a2287c160..ddf02b56b 100644
--- a/include/micm/system/system.hpp
+++ b/include/micm/system/system.hpp
@@ -1,4 +1,4 @@
-/* Copyright (C) 2024 National Center for Atmospheric Research,
+/* Copyright (C) 2023-2024 National Center for Atmospheric Research,
  *
  * SPDX-License-Identifier: Apache-2.0
  */
diff --git a/include/micm/util/constants.hpp b/include/micm/util/constants.hpp
index 5fc8abd6c..84511b459 100644
--- a/include/micm/util/constants.hpp
+++ b/include/micm/util/constants.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/util/cuda_param.hpp b/include/micm/util/cuda_param.hpp
index 4962a9302..a440df3dd 100644
--- a/include/micm/util/cuda_param.hpp
+++ b/include/micm/util/cuda_param.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 
diff --git a/include/micm/util/jacobian.hpp b/include/micm/util/jacobian.hpp
index b3af0e338..32822ba20 100644
--- a/include/micm/util/jacobian.hpp
+++ b/include/micm/util/jacobian.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/util/matrix.hpp b/include/micm/util/matrix.hpp
index 957f216dc..a1742f30a 100644
--- a/include/micm/util/matrix.hpp
+++ b/include/micm/util/matrix.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/util/property_keys.hpp b/include/micm/util/property_keys.hpp
index 8e93bb78a..b09caa6a5 100644
--- a/include/micm/util/property_keys.hpp
+++ b/include/micm/util/property_keys.hpp
@@ -1,5 +1,5 @@
 
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/util/random_string.hpp b/include/micm/util/random_string.hpp
index 01cdb38ae..2b31eb3bf 100644
--- a/include/micm/util/random_string.hpp
+++ b/include/micm/util/random_string.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/util/sparse_matrix.hpp b/include/micm/util/sparse_matrix.hpp
index 40730fbf1..b9ed7859d 100644
--- a/include/micm/util/sparse_matrix.hpp
+++ b/include/micm/util/sparse_matrix.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/util/sparse_matrix_standard_ordering.hpp b/include/micm/util/sparse_matrix_standard_ordering.hpp
index 132101d2f..1f19b14ab 100644
--- a/include/micm/util/sparse_matrix_standard_ordering.hpp
+++ b/include/micm/util/sparse_matrix_standard_ordering.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/util/sparse_matrix_vector_ordering.hpp b/include/micm/util/sparse_matrix_vector_ordering.hpp
index ea5fdafbd..bfbadd582 100644
--- a/include/micm/util/sparse_matrix_vector_ordering.hpp
+++ b/include/micm/util/sparse_matrix_vector_ordering.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/include/micm/util/vector_matrix.hpp b/include/micm/util/vector_matrix.hpp
index 1de36a410..92bb24508 100644
--- a/include/micm/util/vector_matrix.hpp
+++ b/include/micm/util/vector_matrix.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
diff --git a/src/process/process_set.cu b/src/process/process_set.cu
index 6d9fed404..cc15e8490 100644
--- a/src/process/process_set.cu
+++ b/src/process/process_set.cu
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 
diff --git a/src/solver/linear_solver.cu b/src/solver/linear_solver.cu
index fc2d77aef..f4bae1470 100644
--- a/src/solver/linear_solver.cu
+++ b/src/solver/linear_solver.cu
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 
diff --git a/src/solver/lu_decomposition.cu b/src/solver/lu_decomposition.cu
index e5e659f4b..18596844a 100644
--- a/src/solver/lu_decomposition.cu
+++ b/src/solver/lu_decomposition.cu
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 //
 // SPDX-License-Identifier: Apache-2.0
 #include <chrono>
diff --git a/src/solver/rosenbrock.cu b/src/solver/rosenbrock.cu
index 399034f81..e6db8f067 100644
--- a/src/solver/rosenbrock.cu
+++ b/src/solver/rosenbrock.cu
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research
+// Copyright (C) 2023-2024 National Center for Atmospheric Research
 // SPDX-License-Identifier: Apache-2.0
 #pragma once
 #include <chrono>
diff --git a/test/regression/RosenbrockChapman/chapman_ode_solver.hpp b/test/regression/RosenbrockChapman/chapman_ode_solver.hpp
index 1fc646e50..ffaea14b9 100644
--- a/test/regression/RosenbrockChapman/chapman_ode_solver.hpp
+++ b/test/regression/RosenbrockChapman/chapman_ode_solver.hpp
@@ -1,4 +1,4 @@
-/* Copyright (C) 2024 National Center for Atmospheric Research,
+/* Copyright (C) 2023-2024 National Center for Atmospheric Research,
  *
  * SPDX-License-Identifier: Apache-2.0
  */
diff --git a/test/unit/process/forcing_calculation.cpp b/test/unit/process/forcing_calculation.cpp
index 456203412..11a520b71 100644
--- a/test/unit/process/forcing_calculation.cpp
+++ b/test/unit/process/forcing_calculation.cpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 // SPDX-License-Identifier: Apache-2.0
 //
 // A function hard-coded to calculate forcing for a toy chemistry system.
diff --git a/test/unit/process/forcing_calculation.hpp b/test/unit/process/forcing_calculation.hpp
index 1b9fbc954..f7b14a6aa 100644
--- a/test/unit/process/forcing_calculation.hpp
+++ b/test/unit/process/forcing_calculation.hpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 // SPDX-License-Identifier: Apache-2.0
 //
 // A function hard-coded to calculate forcing for a toy chemistry system.
diff --git a/test/unit/process/test_jit_forcing_calculation.cpp b/test/unit/process/test_jit_forcing_calculation.cpp
index cae69fe76..40451fc58 100644
--- a/test/unit/process/test_jit_forcing_calculation.cpp
+++ b/test/unit/process/test_jit_forcing_calculation.cpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 // SPDX-License-Identifier: Apache-2.0
 //
 // A comparison of the JITed forcing function with a hard-coded equivalent
diff --git a/test/unit/process/test_process.cpp b/test/unit/process/test_process.cpp
index 8d7f29e5b..d06fd1cd3 100644
--- a/test/unit/process/test_process.cpp
+++ b/test/unit/process/test_process.cpp
@@ -1,4 +1,4 @@
-// Copyright (C) 2024 National Center for Atmospheric Research,
+// Copyright (C) 2023-2024 National Center for Atmospheric Research,
 // SPDX-License-Identifier: Apache-2.0
 #include <gtest/gtest.h>
 

From b502d74d18497d886ed99b46c95417417d0e5614 Mon Sep 17 00:00:00 2001
From: Jiwon Gim <jiwongim@ucar.edu>
Date: Fri, 5 Jan 2024 12:33:44 -0700
Subject: [PATCH 315/318] update the version

---
 README.md                                          | 2 +-
 docs/source/_static/switcher.json                  | 9 +++++++--
 include/micm/version.hpp                           | 2 +-
 test/integration/cmake/find_package/CMakeLists.txt | 2 +-
 4 files changed, 10 insertions(+), 5 deletions(-)

diff --git a/README.md b/README.md
index db14c1c9e..d16f16a17 100644
--- a/README.md
+++ b/README.md
@@ -178,7 +178,7 @@ int main(const int argc, const char *argv[])
 
 To build and run the example using GNU (assuming the default install location):
 ```
-g++ -o foo_chem foo_chem.cpp -I/usr/local/micm-3.2.0/include -std=c++20
+g++ -o foo_chem foo_chem.cpp -I/usr/local/micm-3.3.0/include -std=c++20
 ./foo_chem
 ```
 
diff --git a/docs/source/_static/switcher.json b/docs/source/_static/switcher.json
index 290f60623..dd717f9b4 100644
--- a/docs/source/_static/switcher.json
+++ b/docs/source/_static/switcher.json
@@ -1,7 +1,7 @@
 [
   {
-      "name": "v3.2.0 (stable)",
-      "version": "v3.2.0 (stable)",
+      "name": "v3.3.0 (stable)",
+      "version": "v3.3.0 (stable)",
       "url": "https://ncar.github.io/micm"
   },
   {
@@ -9,6 +9,11 @@
       "version": "3.2.0",
       "url": "https://ncar.github.io/micm/versions/3.2.0"
   },
+  {
+    "name": "v3.3.0",
+    "version": "3.3.0",
+    "url": "https://ncar.github.io/micm/versions/3.3.0"
+  },
   {
     "name": "dev",
     "version": "dev",
diff --git a/include/micm/version.hpp b/include/micm/version.hpp
index 6a5992c97..2daf99e57 100644
--- a/include/micm/version.hpp
+++ b/include/micm/version.hpp
@@ -8,7 +8,7 @@ extern "C" {
 
   const char* getMicmVersion()
   {
-    return "3.2.0";
+    return "3.3.0";
   }
   unsigned getMicmVersionMajor()
   {
diff --git a/test/integration/cmake/find_package/CMakeLists.txt b/test/integration/cmake/find_package/CMakeLists.txt
index c27ec0d37..2ee12591f 100644
--- a/test/integration/cmake/find_package/CMakeLists.txt
+++ b/test/integration/cmake/find_package/CMakeLists.txt
@@ -8,7 +8,7 @@ project(
 
 set(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR})
 
-find_package(micm 3.2.0 REQUIRED)
+find_package(micm 3.3.0 REQUIRED)
 
 ################################################################################
 # Tests

From 2763f30155ab4c29b22c5057b45f3d3fe1bc6605 Mon Sep 17 00:00:00 2001
From: Jiwon Gim <jiwongim@ucar.edu>
Date: Fri, 5 Jan 2024 12:37:40 -0700
Subject: [PATCH 316/318] update the version

---
 CMakeLists.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 71d4faffa..0adb6858b 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -4,7 +4,7 @@ cmake_minimum_required(VERSION 3.21)
 
 project(
   micm
-  VERSION 3.2.0
+  VERSION 3.3.0
   LANGUAGES CXX
 )
 

From d41e03167e7f6a012c7eb3f80f2d6c8a584cba65 Mon Sep 17 00:00:00 2001
From: Jiwon Gim <jiwongim@ucar.edu>
Date: Fri, 5 Jan 2024 12:43:14 -0700
Subject: [PATCH 317/318] update the version

---
 include/micm/version.hpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/micm/version.hpp b/include/micm/version.hpp
index 2daf99e57..7b1c81bcc 100644
--- a/include/micm/version.hpp
+++ b/include/micm/version.hpp
@@ -16,7 +16,7 @@ extern "C" {
   }
   unsigned getMicmVersionMinor()
   {
-    return 2+0;
+    return 3+0;
   }
   unsigned getMicmVersionPatch()
   {

From c92db77e3a382afa01fabdd354282a63f17c8d42 Mon Sep 17 00:00:00 2001
From: Jiwon Gim <jiwongim@ucar.edu>
Date: Fri, 5 Jan 2024 12:47:07 -0700
Subject: [PATCH 318/318] update the version

---
 docs/source/conf.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/conf.py b/docs/source/conf.py
index 68a05905a..27a59984d 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -23,7 +23,7 @@
 
 suffix = os.getenv("SWITCHER_SUFFIX", "")
 # the suffix is required. This is controlled by the dockerfile that builds the docs
-release = f'v3.2.0{suffix}'
+release = f'v3.3.0{suffix}'
 
 # -- General configuration ---------------------------------------------------