tested sim with hint on cell index for location for constant uniform grid

src/nufi_solver.cc

@@ -9,6 +9,7 @@
 #include <deal.II/numerics/vector_tools.h>
 
 #include <cstddef>
+#include <fstream>
 #include <iostream>
 #include <memory>
 #include <ostream>
@@ -34,6 +35,7 @@ NuFISolver::eval_ftilda(unsigned int n, std::vector<double> &X, double u,
   if (n == 0) {
     for (size_t i = 0; i < x_size; ++i)
       results[i] = f0(X[i], U[i]);
+    reset_x_eval(X);
     return results;
   }
 
@@ -65,6 +67,7 @@ NuFISolver::eval_ftilda(unsigned int n, std::vector<double> &X, double u,
   }
   for (size_t i = 0; i < x_size; ++i)
     results[i] = f0(X[i], U[i]);
+  reset_x_eval(X);
   return results;
 }
 
@@ -80,6 +83,7 @@ NuFISolver::eval_f(unsigned int n, std::vector<double> &X, double u,
   if (n == 0) {
     for (size_t i = 0; i < x_size; ++i)
       results[i] = f0(X[i], U[i]);
+    reset_x_eval(X);
     return results;
   }
 
@@ -116,6 +120,7 @@ NuFISolver::eval_f(unsigned int n, std::vector<double> &X, double u,
 
   for (size_t i = 0; i < x_size; ++i)
     results[i] = f0(X[i], U[i]);
+  reset_x_eval(X);
   return results;
 }
 
@@ -134,14 +139,14 @@ NuFISolver::eval_rho(unsigned int n, std::vector<double> &X,
   std::vector<double> tmp_int(x_size);
 
   for (unsigned int i = 0; i < Nv; ++i) {
-    tmp_int = eval_ftilda(n, X, v_min + i * dv, poisson, phi_history);
+    tmp_int = eval_ftilda(n, X, v_min + i * dv, poisson,
+                          phi_history); // used eval_ftilda once per i
     for (size_t ii = 0; ii < x_size; ++ii)
       integral[ii] += tmp_int[ii];
   }
 
   for (size_t i = 0; i < x_size; ++i)
     integral[i] = 1 - integral[i] * dv;
-  reset_x_eval(X);
   return integral;
 }
 
@@ -155,20 +160,20 @@ void NuFISolver::run() {
       reinterpret_cast<double *>(std::aligned_alloc(64, sizeof(double) * Nx)),
       std::free};
 
-  if (rho == nullptr)
-    throw std::bad_alloc{};
-
   std::vector<double> int_E_squared;
   int_E_squared.reserve(Nt);
 
   std::vector<Vector<double>> phi_history;
 
-  size_t CALC_NX = Parameters::CALC_NX;
-  std::vector<double> x_eval = make_x_eval(CALC_NX);
+  std::vector<double> x_eval(Parameters::CALC_NX);
+
+  if (rho == nullptr)
+    throw std::bad_alloc{};
+
+  std::ofstream time_file("results/simulation_time.dat");
 
   double total_time = 0;
-  std::ofstream time_file("results/simulation_time.txt");
-  time_file << "# it step_time total_time" << "\n";
+  time_file << "it step_time total_time" << "\n";
 
   const double x_min = Parameters::X_DOMAIN_LEFT;
   double dx = Parameters::CALC_DX;
@@ -183,10 +188,11 @@ void NuFISolver::run() {
               << std::endl;
 
     // compute rho
+    std::vector<double> x_eval = make_x_eval(Nx);
     std::vector<double> tmp_rho =
         eval_rho(it, x_eval, poisson, phi_history, Parameters::NV);
 
-    for (size_t i = 0; i < CALC_NX; ++i) {
+    for (size_t i = 0; i < Nx; i++) {
       AssertThrow(std::isfinite(tmp_rho[i]), ExcMessage("NaN detected in rho"));
       rho.get()[i] = tmp_rho[i];
     }
@@ -223,12 +229,12 @@ void NuFISolver::run() {
       // save_Efield(it, coeffs.get(), 128, "results/field_" +
       // std::to_string(it) + ".dat");
 
-      std::vector<double> E_x(CALC_NX);
       std::vector<double> x_eval_Ex = make_x_eval(Parameters::PLOT_NX);
-      std::vector<double> tmp_Ex = eval(x_eval_Ex, poisson, phi_history[it]);
-      reset_x_eval(x_eval_Ex);
-      for (size_t i = 0; i < CALC_NX; ++i)
-        E_x[i] = -tmp_Ex[i];
+      tmp_rho = eval(x_eval_Ex, poisson, phi_history[it]);
+
+      std::vector<double> E_x(Parameters::PLOT_NX);
+      for (size_t i = 0; i < Parameters::PLOT_NX; ++i)
+        E_x[i] = -tmp_rho[i];
       save_space_vector(E_x, "field", it);
 
       double int_val =