Merge pull request #49 from WMD-group/scissor_update

Version `2.1.0`
WMD-group · Aug 23, 2023 · 11e39bc · 11e39bc
2 parents e952003 + 657d6e8
commit 11e39bc
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diff --git a/CHANGELOG.rst b/CHANGELOG.rst
@@ -1,6 +1,12 @@
 Change log
 ==========
 
+v2.1.0
+~~~~~~
+- Add `bg` option to `TASGenerator.from_vasp_outputs()` to allow scissor shifting of the bandgap to match experiment.
+- Implement vectorised band filtering functions, massive speedup in processing times.
+- Implement memory sharing for large arrays within multiprocessing.
+
 v2.0.1
 ~~~~~~
 - Minor documentation and website updates.

diff --git a/docs/source/conf.py b/docs/source/conf.py
@@ -13,7 +13,7 @@
 import os
 import sys
 
-sys.path.insert(0, os.path.abspath('../../'))
+sys.path.insert(0, os.path.abspath("../../"))
 # from pytaser import __version__
 
 
@@ -50,7 +50,7 @@
 # List of patterns, relative to source directory, that match files and
 # directories to ignore when looking for source files.
 # This pattern also affects html_static_path and html_extra_path.
-exclude_patterns = ['_build', 'Thumbs.db', '.DS_Store']
+exclude_patterns = ["_build", "Thumbs.db", ".DS_Store"]
 
 # -- Options for HTML output -------------------------------------------------
 
@@ -66,7 +66,7 @@
     "path_to_docs": "docs/source",
     "use_repository_button": True,
     "use_issues_button": True,
-    "use_edit_page_button": True, # add button to suggest edits
+    "use_edit_page_button": True,  # add button to suggest edits
     "home_page_in_toc": True,
 }
 

diff --git a/examples/PyTASER_DFT_Example.ipynb b/examples/PyTASER_DFT_Example.ipynb