issue #19, Coupling of Sciantix with the v1m1j24 version of Transuranus

CMakeLists.txt

@@ -1,5 +1,5 @@
 # This CMakeLists.txt file is useful when compiling SCIANTIX with the cmake tool
-# 
+#
 # output:
 #   > build directory with executable in build/sciantix.x
 #
@@ -28,6 +28,10 @@ endfunction()
 # Enable C++ compiler
 enable_language (CXX)
 
+# Set option for coupling with TU
+option (COUPLING_TU OFF)
+
+# Include CTest
 include(CTest)
 enable_testing()
 
@@ -42,10 +46,16 @@ file(GLOB_RECURSE SOURCES ${PROJECT_SOURCE_DIR}/src/*.C)
 # Set custom object file directory (to have all object files in the obj directory)
 set(CMAKE_OBJECT_PATH_PREFIX ${PROJECTSOUR}/obj/)
 
-# Add executable sciantix.x (or .exe)
-add_executable(sciantix ${SOURCES})
-if (UNIX)
+
+# Add executable sciantix.x (or .exe) or create static library
+if(COUPLING_TU)
+  add_library(sciantix STATIC ${SOURCES})
+  set(CMAKE_STATIC_LIBRARY_SUFFIX ".a")
+else()
+  add_executable(sciantix ${SOURCES})
+  if (UNIX)
     set(CMAKE_EXECUTABLE_SUFFIX ".x")
+  endif()
 endif()
 
 # Copy all object files in obj directory by using a custom command

include/coupling/TUSrcCoupling.h

@@ -0,0 +1,42 @@
+//////////////////////////////////////////////////////////////////////////////////////
+//       _______.  ______  __       ___      .__   __. .___________. __  ___   ___  //
+//      /       | /      ||  |     /   \     |  \ |  | |           ||  | \  \ /  /  //
+//     |   (----`|  ,----'|  |    /  ^  \    |   \|  | `---|  |----`|  |  \  V  /   //
+//      \   \    |  |     |  |   /  /_\  \   |  . `  |     |  |     |  |   >   <    //
+//  .----)   |   |  `----.|  |  /  _____  \  |  |\   |     |  |     |  |  /  .  \   //
+//  |_______/     \______||__| /__/     \__\ |__| \__|     |__|     |__| /__/ \__\  //
+//                                                                                  //
+//  Originally developed by D. Pizzocri & T. Barani                                 //
+//                                                                                  //
+//  Version: 2.1                                                                    //
+//  Year: 2023                                                                      //
+//  Authors: E. Travaglia                                             //
+//                                                                                  //
+//////////////////////////////////////////////////////////////////////////////////////
+
+/**
+ * @brief This is a file required for TRANSURANUS-SCIANTIX coupling.
+ * With this file, two functions are defined (getSciantixOptions and callSciantix) in SCIANTIX.
+ * These two functions are also defined in TRANSURANUS, and are essentially required to create the
+ * communication channel between the two codes.
+ *
+ * @author E. Travaglia
+ *
+ */
+
+#ifndef TUSRCCOUPLING_H
+#define TUSRCCOUPLING_H
+
+#ifdef __cplusplus
+extern "C"
+{
+  #endif
+  void getSciantixOptions(int options[], double scaling_factors[]);
+  void callSciantix(int options[], double history[], double variables[],
+                    double scaling_factors[], double diffusion_modes[]);
+
+  #ifdef __cplusplus
+}
+#endif
+
+#endif // TUSRCCOUPLING_H

include/file_manager/InputReading.h

@@ -25,21 +25,21 @@
 
 /**
  * @brief Handles all input processing for the simulation.
- * It opens necessary input files, reads configuration and initial condition data, 
+ * It opens necessary input files, reads configuration and initial condition data,
  * logs this data for verification, and manages any missing file errors.
- * 
+ *
  * @author D. Pizzocri
  * @author T. Barani
  * @author G. Zullo
  * @author F. Bastien
- * 
+ *
  */
 void InputReading(
-	int Sciantix_options[], 
-	double Sciantix_variables[], 
+	int Sciantix_options[],
+	double Sciantix_variables[],
 	double Sciantix_scaling_factors[],
 	int &Input_history_points,
-	std::vector<double> &Time_input, 
+	std::vector<double> &Time_input,
 	std::vector<double> &Temperature_input,
 	std::vector<double> &Fissionrate_input,
 	std::vector<double> &Hydrostaticstress_input,
@@ -51,4 +51,14 @@ void InputReading(
 void readSettings(std::ifstream &input, std::ofstream &output, int Sciantix_options[]);
 void readParameters(std::ifstream &input, std::ofstream &output, double Sciantix_Array[]);
 
+unsigned short int ReadOneSetting(
+  std::string variable_name,
+  std::ifstream& input_file,
+  std::ofstream& output_file);
+
+double ReadOneParameter(
+  std::string variable_name,
+  std::ifstream& input_file,
+  std::ofstream& output_file);
+
 #endif // INPUT_READING_H

src/classes/Simulation.C

@@ -31,18 +31,18 @@ Simulation* Simulation::getInstance()
 }
 
 void Simulation::initialize(
-    int Sciantix_options[], 
-    double Sciantix_history[], 
-    double Sciantix_variables[], 
-    double Sciantix_scaling_factors[], 
+    int Sciantix_options[],
+    double Sciantix_history[],
+    double Sciantix_variables[],
+    double Sciantix_scaling_factors[],
     double Sciantix_diffusion_modes[]
 )
 {
-    setVariables(
-        Sciantix_options, 
-		Sciantix_history, 
-		Sciantix_variables, 
-		Sciantix_scaling_factors, 
+  setVariables(
+    Sciantix_options,
+		Sciantix_history,
+		Sciantix_variables,
+		Sciantix_scaling_factors,
 		Sciantix_diffusion_modes
     );
 
@@ -54,15 +54,17 @@ void Simulation::initialize(
 
 void Simulation::execute()
 {
-    Burnup();
+#if !defined(COUPLING_TU)
+  Burnup();
 
 	EffectiveBurnup();
+#endif
 
 	GapPartialPressure();
 
 	UO2Thermochemistry();
 
-	StoichiometryDeviation(); 
+	StoichiometryDeviation();
 
 	HighBurnupStructureFormation();
 

src/coupling/TUSrcCoupling.C

@@ -0,0 +1,106 @@
+//////////////////////////////////////////////////////////////////////////////////////
+//       _______.  ______  __       ___      .__   __. .___________. __  ___   ___  //
+//      /       | /      ||  |     /   \     |  \ |  | |           ||  | \  \ /  /  //
+//     |   (----`|  ,----'|  |    /  ^  \    |   \|  | `---|  |----`|  |  \  V  /   //
+//      \   \    |  |     |  |   /  /_\  \   |  . `  |     |  |     |  |   >   <    //
+//  .----)   |   |  `----.|  |  /  _____  \  |  |\   |     |  |     |  |  /  .  \   //
+//  |_______/     \______||__| /__/     \__\ |__| \__|     |__|     |__| /__/ \__\  //
+//                                                                                  //
+//  Originally developed by D. Pizzocri & T. Barani                                 //
+//                                                                                  //
+//  Version: 2.1                                                                    //
+//  Year: 2024                                                                      //
+//  Authors: E. Travaglia                                                           //
+//                                                                                  //
+//////////////////////////////////////////////////////////////////////////////////////
+
+#include "TUSrcCoupling.h"
+#include "Simulation.h"
+#include "InputReading.h"
+#include <iostream>
+
+/**
+ * @brief This is a file required for TRANSURANUS-SCIANTIX coupling.
+ * With this file, two functions are defined (getSciantixOptions and callSciantix) in SCIANTIX.
+ * These two functions are also defined in TRANSURANUS, and are essentially required to create the
+ * communication channel between the two codes.
+ *
+ * @author E. Travaglia
+ *
+ */
+
+void callSciantix(int options[], double history[], double variables[], double scaling_factors[], double diffusion_modes[])
+{
+    Simulation* simulation = Simulation::getInstance();
+
+    simulation->initialize(Sciantix_options, Sciantix_history, Sciantix_variables, Sciantix_scaling_factors, Sciantix_diffusion_modes);
+
+    simulation->execute();
+
+    simulation->update(Sciantix_variables, Sciantix_diffusion_modes);
+
+}
+
+void getSciantixOptions(int options[], double scaling_factors[])
+{
+ 	  std::ofstream input_check("input_check.txt", std::ios::out);
+
+	  // Abort execution if any of the input files does not exist
+	  std::ifstream input_settings("input_settings.txt", std::ios::in);
+	  if (!input_settings)
+		  ErrorMessages::MissingInputFile("input_settings.txt");
+
+    std::ifstream input_scaling_factors(TestPath + "input_scaling_factors.txt", std::ios::in);
+
+    Sciantix_options[0] = ReadOneSetting("iGrainGrowth", input_settings, input_check);
+    Sciantix_options[1] = ReadOneSetting("iFissionGasDiffusivity", input_settings, input_check);
+    Sciantix_options[2] = ReadOneSetting("iDiffusionSolver", input_settings, input_check);
+    Sciantix_options[3] = ReadOneSetting("iIntraGranularBubbleBehavior", input_settings, input_check);
+    Sciantix_options[4] = ReadOneSetting("iResolutionRate", input_settings, input_check);
+    Sciantix_options[5] = ReadOneSetting("iTrappingRate", input_settings, input_check);
+    Sciantix_options[6] = ReadOneSetting("iNucleationRate", input_settings, input_check);
+    Sciantix_options[7] = ReadOneSetting("iOutput", input_settings, input_check);
+    Sciantix_options[8] = ReadOneSetting("iGrainBoundaryVacancyDiffusivity", input_settings, input_check);
+    Sciantix_options[9] = ReadOneSetting("iGrainBoundaryBehaviour", input_settings, input_check);
+    Sciantix_options[10] = ReadOneSetting("iGrainBoundaryMicroCracking", input_settings, input_check);
+    Sciantix_options[11] = ReadOneSetting("iFuelMatrix", input_settings, input_check);
+    Sciantix_options[12] = ReadOneSetting("iGrainBoundaryVenting", input_settings, input_check);
+    Sciantix_options[13] = ReadOneSetting("iRadioactiveFissionGas", input_settings, input_check);
+    Sciantix_options[14] = ReadOneSetting("iHelium", input_settings, input_check);
+    Sciantix_options[15] = ReadOneSetting("iHeDiffusivity", input_settings, input_check);
+    Sciantix_options[16] = ReadOneSetting("iGrainBoundarySweeping", input_settings, input_check);
+    Sciantix_options[17] = ReadOneSetting("iHighBurnupStructureFormation", input_settings, input_check);
+    Sciantix_options[18] = ReadOneSetting("iHighBurnupStructurePorosity", input_settings, input_check);
+    Sciantix_options[19] = ReadOneSetting("iHeliumProductionRate", input_settings, input_check);
+    Sciantix_options[20] = ReadOneSetting("iStoichiometryDeviation", input_settings, input_check);
+    Sciantix_options[21] = ReadOneSetting("iBubbleDiffusivity",input_settings,input_check);
+
+if (!input_scaling_factors.fail())
+	{
+		Sciantix_scaling_factors[0] = ReadOneParameter("sf_resolution_rate", input_scaling_factors, input_check);
+		Sciantix_scaling_factors[1] = ReadOneParameter("sf_trapping_rate", input_scaling_factors, input_check);
+		Sciantix_scaling_factors[2] = ReadOneParameter("sf_nucleation_rate", input_scaling_factors, input_check);
+		Sciantix_scaling_factors[3] = ReadOneParameter("sf_diffusivity", input_scaling_factors, input_check);
+		Sciantix_scaling_factors[4] = ReadOneParameter("sf_temperature", input_scaling_factors, input_check);
+		Sciantix_scaling_factors[5] = ReadOneParameter("sf_fission_rate", input_scaling_factors, input_check);
+		Sciantix_scaling_factors[6] = ReadOneParameter("sf_cent_parameter", input_scaling_factors, input_check);
+		Sciantix_scaling_factors[7] = ReadOneParameter("sf_helium_production_rate", input_scaling_factors, input_check);
+		Sciantix_scaling_factors[8] = ReadOneParameter("sf_dummy", input_scaling_factors, input_check);
+	}
+	else
+	{
+		Sciantix_scaling_factors[0] = 1.0;
+		Sciantix_scaling_factors[1] = 1.0;
+		Sciantix_scaling_factors[2] = 1.0;
+		Sciantix_scaling_factors[3] = 1.0;
+		Sciantix_scaling_factors[4] = 1.0;
+		Sciantix_scaling_factors[5] = 1.0;
+		Sciantix_scaling_factors[6] = 1.0;
+		Sciantix_scaling_factors[7] = 1.0;
+		Sciantix_scaling_factors[8] = 1.0;
+	}
+
+	input_check.close();
+	input_settings.close();
+	input_scaling_factors.close();
+}

src/operations/SetVariables.C

@@ -18,10 +18,10 @@
 #include "Simulation.h"
 
 void Simulation::setVariables(
-    int Sciantix_options[], 
-    double Sciantix_history[], 
-    double Sciantix_variables[], 
-    double Sciantix_scaling_factors[], 
+    int Sciantix_options[],
+    double Sciantix_history[],
+    double Sciantix_variables[],
+    double Sciantix_scaling_factors[],
     double Sciantix_diffusion_modes[]
 )
 {
@@ -46,7 +46,7 @@ void Simulation::setVariables(
          toOutputStoichiometryDeviation = input_variable["iStoichiometryDeviation"].getValue() > 0;
 
 
-    // Physics variable	
+    // Physics variable
     physics_variable.push(SciantixVariable("Time step", "(s)", Sciantix_history[6], Sciantix_history[6], 0));
 
 
@@ -78,12 +78,18 @@ void Simulation::setVariables(
         sciantix_variable.push(initial_value);
     }
 
+#if defined(COUPLING_TU)
+
+  sciantix_variable["Burnup"]setInitialValue(Sciantix_history["Burnup"]);
+
+#endif
+
     // Diffusion modes
     for (int i = 0; i < n_modes; ++i)
     {
         for (int j = 0; j <= 17; j++)
         {
-            modes_initial_conditions[j * n_modes + i] = Sciantix_diffusion_modes[j * n_modes + i];	
+            modes_initial_conditions[j * n_modes + i] = Sciantix_diffusion_modes[j * n_modes + i];
         }
     }