Change all grid types to double from int

inc/emax.h

@@ -6,8 +6,8 @@
 struct EMaxt2Data
 {
     double max_energy = -1e16;
-    long long tmin;
-    long long tmax;
+    double tmin;
+    double tmax;
 };
 
 class EMaxt2

inc/obs1.h

@@ -81,13 +81,13 @@ class OnePointObservables
 
     // Base objects we need
     const utils::SimulationParameters params;
-    std::vector<long long> grid;
-    int grid_length;
+    std::vector<double> grid;
+    size_t grid_length;
     const SpinSystem* spin_system_ptr;
 
     // The pointer to the last-updated point on the grid
     // Note that this is not actually a pointer =]
-    unsigned int pointer = 0;
+    size_t pointer = 0;
 
     // Define the ridge energy objects
     RidgeEnergyObject ridge_E_object;

inc/obs2.h

@@ -17,14 +17,14 @@ class PsiConfig
 
     // The (roughly) maximum timestep on the counter. It's padded at the end,
     // and is taken care of during post processing.
-    long long _max_counter;
+    size_t _max_counter;
     std::vector<long long> _counter;
 
     // Keep track internally of the waiting time for both the standard
     // trajectory and the inherent structure
     double _waiting_time = 0.0;
 
-    int _out_of_counter = 0;
+    size_t _out_of_counter = 0;
 
 public:
 
@@ -54,7 +54,7 @@ class PsiBasin
     const utils::FileNames fnames;
     const utils::SimulationParameters params;
     const SpinSystem* spin_system_ptr;
-    long long _max_counter;
+    size_t _max_counter;
     PsiBasinData data_E, data_S;
 
     void _init_E_data();
@@ -79,9 +79,9 @@ class Aging
     const utils::SimulationParameters params;
 
     // The pi 1 and 2 grids
-    std::vector<long long> grid_pi1;
-    std::vector<long long> grid_pi2;
-    int length;
+    std::vector<double> grid_pi1;
+    std::vector<double> grid_pi2;
+    size_t length;
 
 public:
     Aging(const utils::SimulationParameters params, const SpinSystem& spin_system);
@@ -97,8 +97,8 @@ class AgingConfig : public Aging
     std::vector<std::string> results2;
 
     // Define the pointers
-    int pointer1 = 0;
-    int pointer2 = 0;
+    size_t pointer1 = 0;
+    size_t pointer2 = 0;
 
     // Helpers
     void _help_step_1(const double simulation_clock);
@@ -114,13 +114,13 @@ class AgingConfig : public Aging
 struct AgingBasinData
 {
     // Define the pointers
-    int pointer1 = 0;
-    int pointer2 = 0;
+    size_t pointer1 = 0;
+    size_t pointer2 = 0;
 
     std::vector<long long> vec_basin_index_1;
     std::vector<long long> vec_basin_index_2;
-    std::vector<int> vec_prev_state_in_basin_1;
-    std::vector<int> vec_prev_state_in_basin_2;
+    std::vector<size_t> vec_prev_state_in_basin_1;
+    std::vector<size_t> vec_prev_state_in_basin_2;
 
     double threshold;
     bool threshold_valid = true;

inc/utils.h

@@ -225,7 +225,7 @@ void cleanup_directories();
  * @param log10_timesteps [description]
  * @param n_gridpoints [description]
  */
-void make_energy_grid_logspace(const int log10_timesteps, const int n_gridpoints);
+void make_energy_grid_logspace(const size_t log10_timesteps, const size_t n_gridpoints);
 
 /**
  * @brief [brief description]
@@ -235,7 +235,7 @@ void make_energy_grid_logspace(const int log10_timesteps, const int n_gridpoints
  * @param dw [description]
  * @param n_gridpoints [description]
  */
-void make_pi_grids(const int log10_timesteps, const double dw, const int n_gridpoints);
+void make_pi_grids(const size_t log10_timesteps, const double dw, const size_t n_gridpoints);
 
 /**
  * @brief [brief description]
@@ -245,7 +245,7 @@ void make_pi_grids(const int log10_timesteps, const double dw, const int n_gridp
  * @param loc [description]
  * @param grid_size [description]
  */
-void load_long_long_grid_(std::vector<long long> &grid, const std::string loc);
+void load_grid_(std::vector<double> &grid, const std::string path);
 
 /**
  * @brief [brief description]

src/emax.cpp

@@ -15,16 +15,16 @@ EMaxt2::EMaxt2(const utils::SimulationParameters params, const SpinSystem& spin_
 
     // We need the pi2 grid since this goes from 0 to the length of the
     // simulation
-    std::vector<long long> grid2;
-    utils::load_long_long_grid_(grid2, PI2_GRID_PATH);
+    std::vector<double> grid2;
+    utils::load_grid_(grid2, PI2_GRID_PATH);
     length = grid2.size();
 
     // Grid 1 is grid2 // 2
     for (size_t ii=0; ii<length; ii++)
     {
         EMaxt2Data d;
         d.tmax = grid2[ii];
-        d.tmin = d.tmax / 2;
+        d.tmin = d.tmax / 2.0;
         trackers[ii] = d;
     }
 }

src/main.cpp

@@ -5,7 +5,7 @@
 #include "CLI11/CLI11.hpp"
 
 
-// All utilities in this main module come from main_utils
+// All utilities in this main module come from main_utils or processing_utils
 using namespace main_utils;
 
 

src/obs1.cpp

@@ -36,7 +36,7 @@ OnePointObservables::OnePointObservables(const utils::SimulationParameters param
 
     spin_system_ptr = &spin_system;
 
-    utils::load_long_long_grid_(grid, ENERGY_GRID_PATH);
+    utils::load_grid_(grid, ENERGY_GRID_PATH);
     grid_length = grid.size();
 
     // Cache capacity observable

src/obs2.cpp

@@ -13,20 +13,21 @@ size_t _get_max_counter(const utils::SimulationParameters params)
     // let N be the log base 10 total timesteps
     // log2(10^N) = N log2(10)
     // Give the max counter a lot of space
-    return  params.log10_N_timesteps * log(10.0) + 10;
+    return params.log10_N_timesteps * log(10.0) + 10;
 }
 
 
 /**
  * @brief Fills a long long vector with zeros up to _max_counter
  */
+
 void _fill_counter(const size_t _max_counter, std::vector<long long> &counter)
 {
     for (size_t ii=0; ii<_max_counter; ii++){counter.push_back(0);}
 }
 
 
-int _get_key(const double local_waiting_time)
+size_t _get_key(const double local_waiting_time)
 {
     // If the waiting time is <= 1, round it to 1.
     if (local_waiting_time <= 1.0){return 0;} // 2^0
@@ -239,8 +240,8 @@ json PsiBasin::as_json() const
 Aging::Aging(const utils::SimulationParameters params, const SpinSystem& spin_system) : params(params)
 {
     spin_system_ptr = &spin_system;
-    utils::load_long_long_grid_(grid_pi1, PI1_GRID_PATH);
-    utils::load_long_long_grid_(grid_pi2, PI2_GRID_PATH);
+    utils::load_grid_(grid_pi1, PI1_GRID_PATH);
+    utils::load_grid_(grid_pi2, PI2_GRID_PATH);
     length = grid_pi1.size();
     assert(length == grid_pi2.size());
 }

src/processing_utils.cpp

@@ -354,16 +354,16 @@ json load_grids()
 {
     json j;
 
-    std::vector<long long> grid_energy;
-    utils::load_long_long_grid_(grid_energy, ENERGY_GRID_PATH);
+    std::vector<double> grid_energy;
+    utils::load_grid_(grid_energy, ENERGY_GRID_PATH);
     j["energy"] = grid_energy;
 
-    std::vector<long long> grid_pi1;
-    utils::load_long_long_grid_(grid_pi1, PI1_GRID_PATH);
+    std::vector<double> grid_pi1;
+    utils::load_grid_(grid_pi1, PI1_GRID_PATH);
     j["pi1"] = grid_pi1;
 
-    std::vector<long long> grid_pi2;
-    utils::load_long_long_grid_(grid_pi2, PI2_GRID_PATH);
+    std::vector<double> grid_pi2;
+    utils::load_grid_(grid_pi2, PI2_GRID_PATH);
     j["pi2"] = grid_pi2;
 
     return j;

src/utils.cpp

@@ -227,73 +227,66 @@ void cleanup_directories()
     system(command.c_str());
 }
 
-
-void make_energy_grid_logspace(const int log10_timesteps, const int n_gridpoints)
+void make_energy_grid_logspace(const size_t log10_timesteps, const size_t n_gridpoints)
 {
-    std::vector <long long> v;
-    v.push_back(0.0);
+    std::vector <double> v;
     const double delta = ((double) log10_timesteps) / ((double) n_gridpoints);
-    for (int ii=0; ii<n_gridpoints + 1; ii++)
+    for (size_t ii=0; ii<n_gridpoints + 1; ii++)
     {
-        int val = int(pow(10, ((double) ii * delta)));
+        const double val = pow(10.0, ((double) ii * delta));
         v.push_back(val);
     }
-
-    v.erase(unique(v.begin(), v.end()), v.end());
-
     FILE* outfile = fopen(ENERGY_GRID_PATH, "w");
-    for (int ii=0; ii<v.size(); ii++)
+    for (size_t ii=0; ii<v.size(); ii++)
     {
-        fprintf(outfile, "%lli\n", v[ii]);
+        fprintf(outfile, "%e\n", v[ii]);
     }
     fclose(outfile);
 }
 
-void make_pi_grids(const int log10_timesteps, const double dw, const int n_gridpoints)
+void make_pi_grids(const size_t log10_timesteps, const double dw, const size_t n_gridpoints)
 {
-    std::vector <long long> v1;
-    std::vector <long long> v2;
-    const int nMC = int(pow(10, log10_timesteps));
-    const int tw_max = int(nMC / (dw + 1.0));
-    const double delta = ((double) log10(tw_max)) / ((double) n_gridpoints);
-
-    int _v1;
-    for (int ii=0; ii<n_gridpoints + 1; ii++)
+    std::vector <float> v1;
+    std::vector <float> v2;
+    const double nMC = pow(10, log10_timesteps);
+    const double tw_max = nMC / (dw + 1.0);
+    const double delta = log10(tw_max) / ((double) n_gridpoints);
+
+    for (size_t ii=0; ii<n_gridpoints + 1; ii++)
     {
-        _v1 = int(pow(10, ((double) ii * delta)));
+        const double _v1 = pow(10, ((double) ii * delta));
         v1.push_back(_v1);
     }
-    v1.erase(unique(v1.begin(), v1.end()), v1.end());
 
-    int _v2;
-    for (int ii=0; ii<v1.size(); ii++)
+    const double dw_plus_1 = dw + 1.0;
+    for (size_t ii=0; ii<v1.size(); ii++)
     {
-        _v2 = int(v1[ii] * (dw + 1.0));
+        const double _v2 = v1[ii] * dw_plus_1;
         v2.push_back(_v2);
     }
 
     FILE* outfile1 = fopen(PI1_GRID_PATH, "w");
     FILE* outfile2 = fopen(PI2_GRID_PATH, "w");
 
-    for (int ii=0; ii<v1.size(); ii++)
+    for (size_t ii=0; ii<v1.size(); ii++)
     {
-        fprintf(outfile1, "%lli\n", v1[ii]);
-        fprintf(outfile2, "%lli\n", v2[ii]);
+        fprintf(outfile1, "%e\n", v1[ii]);
+        fprintf(outfile2, "%e\n", v2[ii]);
     }
 
     fclose(outfile1);
     fclose(outfile2);
 }
 
-void load_long_long_grid_(std::vector<long long> &grid, const std::string loc)
+void load_grid_(std::vector<double> &grid, const std::string path)
 {
-    std::ifstream myfile (loc);
+    std::ifstream myfile (path);
     std::string line;
     if (myfile.is_open())
     {
         while (getline(myfile, line))
         {
-            grid.push_back(stoll(line));
+            grid.push_back(stof(line));
         }
         myfile.close();
     }