move reading semenov tables to init routine

networks/metal_chem/actual_network.H

@@ -1,6 +1,8 @@
 #ifndef actual_network_H
 #define actual_network_H
 
+#include <fstream>
+#include <sstream>
 #include <AMReX_REAL.H>
 #include <AMReX_Array.H>
 
@@ -15,6 +17,10 @@ const std::string network_name = "pynucastro-cxx";
 
 namespace network
 {
+    extern AMREX_GPU_MANAGED Array1D<Real, 1, 10> semenov_x;
+    extern AMREX_GPU_MANAGED Array1D<Real, 1, 1000> semenov_y;
+    extern AMREX_GPU_MANAGED Array2D<Real, 1, 10, 1, 1000> semenov_z;
+
 }
 
 namespace Rates

networks/metal_chem/actual_network_data.cpp

@@ -3,10 +3,65 @@
 
 namespace network
 {
-}
 
+    AMREX_GPU_MANAGED Array1D<Real, 1, 10> semenov_x;
+    AMREX_GPU_MANAGED Array1D<Real, 1, 1000> semenov_y;
+    AMREX_GPU_MANAGED Array2D<Real, 1, 10, 1, 1000> semenov_z;
+
+}
 
 void actual_network_init()
 {
 
+	using namespace network;
+    std::string filename = "Semenov_PlanckOpacity.dat";
+    std::cout << "Reading tables from " << filename << std::endl;
+
+    // Open the file and check if it exists
+    std::ifstream file(filename);
+    if (!file.is_open()) {
+        throw std::runtime_error("ERROR: file " + filename + " not found!");
+    }
+
+    std::string line;
+
+    // Skip comments and read until the first non-comment line
+    while (std::getline(file, line)) {
+        if (line[0] != '#') {
+            break;
+        }
+    }
+
+    // Check if the first line is formatted correctly
+    if (line.find(',') == std::string::npos) {
+        throw std::runtime_error("ERROR: file " + filename + " should contain the number of rows and columns in the format 'RR, CC'");
+    }
+
+    // Process data line by line
+    for (int i = 1; i <= semenov_x.size(); ++i) {
+        for (int j = 1; j <= semenov_y.size(); ++j) {
+            if (!std::getline(file, line)) {
+                throw std::runtime_error("ERROR: Unexpected end of file while reading data.");
+            }
+
+            // Trim the line to remove any leading/trailing whitespace
+            line.erase(0, line.find_first_not_of(" \t"));  // Remove leading whitespace
+            line.erase(line.find_last_not_of(" \t") + 1);  // Remove trailing whitespace
+
+            std::istringstream iss(line);
+            Real x_val, y_val, z_val;
+            if (!(iss >> x_val >> y_val >> z_val)) {
+                std::cout << "line: " << line << std::endl;
+                throw std::runtime_error("ERROR: Insufficient data on line " + std::to_string(i * semenov_y.size() + j + 1));
+            }
+
+            semenov_x(i) = x_val;
+            semenov_y(j) = y_val;
+            semenov_z(i,j) = z_val;
+        }
+
+    }
+
+
 }
+

networks/metal_chem/actual_rhs.H

@@ -10,13 +10,11 @@
 #include <actual_network.H>
 #include <burn_type.H>
 #include <jacobian_utilities.H>
-#include <extern_parameters.H>
 
 using namespace amrex;
 using namespace ArrayUtil;
 using namespace network_rp;
-
-
+using namespace network;
 
 AMREX_GPU_HOST_DEVICE AMREX_INLINE
 void rhs_specie(const burn_t& state,
@@ -4055,7 +4053,7 @@ Real interpolate_2d(Real const x, Real const y, const Array1D<Real, 1, 10>& xArr
     return z_xy;
 }
 
-
+/*
 AMREX_GPU_HOST_DEVICE AMREX_INLINE
 void init_anytab2D(const std::string& filename, Array1D<Real, 1, 10>& x, Array1D<Real, 1, 1000>& y, Array2D<Real, 1, 10, 1, 1000>& z) {
 
@@ -4106,11 +4104,12 @@ void init_anytab2D(const std::string& filename, Array1D<Real, 1, 10>& x, Array1D
 
     }
 }
+*/
 
 AMREX_GPU_HOST_DEVICE AMREX_INLINE
 std::pair<Real, Real> compute_Semenov_Tdust(Real Tgas, const Array1D<Real, 0, NumSpec-1>& composition, Real const user_dust2gas_ratio, Real const z, 
-                                                Real krome_Semenov_Tdust, Array1D<Real, 1, 10>& semenov_x, Array1D<Real, 1, 1000>& semenov_y, 
-                                                Array2D<Real, 1, 10, 1, 1000>& semenov_z) {
+                                                Real krome_Semenov_Tdust, Array1D<Real, 1, 10>& s_x, Array1D<Real, 1, 1000>& s_y, 
+                                                Array2D<Real, 1, 10, 1, 1000>& s_z) {
 
     Real dustSemenov_cooling = 0.0;
 
@@ -4175,7 +4174,7 @@ std::pair<Real, Real> compute_Semenov_Tdust(Real Tgas, const Array1D<Real, 0, Nu
     Real clipped_x = std::max(-18.0, std::min(std::log10(rhogas), -7.0));
     Real clipped_y = std::max(1e1, std::min(Tgas, 1e4));
 
-    auto kappaP = interpolate_2d(clipped_x, clipped_y, semenov_x, semenov_y, semenov_z);
+    auto kappaP = interpolate_2d(clipped_x, clipped_y, s_x, s_y, s_z);
     //Real kappaP = std::pow((-1.58418734e+00*std::pow(std::log10(clipped_y),7) + 2.70026428e+01*std::pow(std::log10(clipped_y),6) - 1.90914865e+02*std::pow(std::log10(clipped_y),5) + \
     //              7.24661740e+02*std::pow(std::log10(clipped_y),4) - 1.59299671e+03*std::pow(std::log10(clipped_y),3) + 2.02540166e+03*std::pow(std::log10(clipped_y),2) - \
     //              1.37581206e+03*std::pow(std::log10(clipped_y),1) + 3.83747773e+02), 10);
@@ -4234,6 +4233,7 @@ std::pair<Real, Real> compute_Semenov_Tdust(Real Tgas, const Array1D<Real, 0, Nu
 AMREX_GPU_HOST_DEVICE AMREX_INLINE
 void actual_rhs (burn_t& state, Array1D<Real, 1, neqs>& ydot)
 {
+
     Real z = redshift;
     Real Z = metallicity;
 
@@ -4243,11 +4243,11 @@ void actual_rhs (burn_t& state, Array1D<Real, 1, neqs>& ydot)
     }
 
     Real krome_Semenov_Tdust = state.aux[0];
-    Array1D<Real, 1, 10> semenov_x;
-    Array1D<Real, 1, 1000> semenov_y;
-    Array2D<Real, 1, 10, 1, 1000> semenov_z;
-    std::string filename = "Semenov_PlanckOpacity.dat";
-    init_anytab2D(filename, semenov_x, semenov_y, semenov_z);
+    //Array1D<Real, 1, 10> semenov_x;
+    //Array1D<Real, 1, 1000> semenov_y;
+    //Array2D<Real, 1, 10, 1, 1000> semenov_z;
+    //std::string filename = "Semenov_PlanckOpacity.dat";
+    //init_anytab2D(filename, semenov_x, semenov_y, semenov_z);
 
     // Call the compute_Semenov_Tdust function
     auto result = compute_Semenov_Tdust(state.T, X, dust2gas_ratio, z, krome_Semenov_Tdust, semenov_x, semenov_y, semenov_z);