179 lines
6.2 KiB
C++
179 lines
6.2 KiB
C++
#include "analysis/FreeEnergy.h"
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FreeEnergyAnalyzer::FreeEnergyAnalyzer(std::shared_ptr <Domain> dm):
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Dm(dm)
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{
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Nx=dm->Nx; Ny=dm->Ny; Nz=dm->Nz;
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Volume=(Nx-2)*(Ny-2)*(Nz-2)*Dm->nprocx()*Dm->nprocy()*Dm->nprocz()*1.0;
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ChemicalPotential.resize(Nx,Ny,Nz); ChemicalPotential.fill(0);
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Phi.resize(Nx,Ny,Nz); Phi.fill(0);
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Pressure.resize(Nx,Ny,Nz); Pressure.fill(0);
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Rho.resize(Nx,Ny,Nz); Rho.fill(0);
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Vel_x.resize(Nx,Ny,Nz); Vel_x.fill(0); // Gradient of the phase indicator field
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Vel_y.resize(Nx,Ny,Nz); Vel_y.fill(0);
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Vel_z.resize(Nx,Ny,Nz); Vel_z.fill(0);
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SDs.resize(Nx,Ny,Nz); SDs.fill(0);
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if (Dm->rank()==0){
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bool WriteHeader=false;
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TIMELOG = fopen("free.csv","r");
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if (TIMELOG != NULL)
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fclose(TIMELOG);
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else
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WriteHeader=true;
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TIMELOG = fopen("free.csv","a+");
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if (WriteHeader)
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{
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// If timelog is empty, write a short header to list the averages
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//fprintf(TIMELOG,"--------------------------------------------------------------------------------------\n");
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fprintf(TIMELOG,"timestep\n");
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}
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}
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}
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FreeEnergyAnalyzer::~FreeEnergyAnalyzer(){
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if (Dm->rank()==0){
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fclose(TIMELOG);
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}
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}
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void FreeEnergyAnalyzer::SetParams(){
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}
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void FreeEnergyAnalyzer::Basic(ScaLBL_FreeLeeModel &LeeModel, int timestep){
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if (Dm->rank()==0){
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fprintf(TIMELOG,"%i ",timestep);
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/*for (int ion=0; ion<Ion.number_ion_species; ion++){
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fprintf(TIMELOG,"%.8g ",rho_avg_global[ion]);
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fprintf(TIMELOG,"%.8g ",rho_mu_avg_global[ion]);
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fprintf(TIMELOG,"%.8g ",rho_psi_avg_global[ion]);
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fprintf(TIMELOG,"%.8g ",rho_mu_fluctuation_global[ion]);
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fprintf(TIMELOG,"%.8g ",rho_psi_fluctuation_global[ion]);
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}
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*/
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fprintf(TIMELOG,"\n");
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fflush(TIMELOG);
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}
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/* else{
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fprintf(TIMELOG,"%i ",timestep);
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for (int ion=0; ion<Ion.number_ion_species; ion++){
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fprintf(TIMELOG,"%.8g ",rho_avg_local[ion]);
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fprintf(TIMELOG,"%.8g ",rho_mu_avg_local[ion]);
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fprintf(TIMELOG,"%.8g ",rho_psi_avg_local[ion]);
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fprintf(TIMELOG,"%.8g ",rho_mu_fluctuation_local[ion]);
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fprintf(TIMELOG,"%.8g ",rho_psi_fluctuation_local[ion]);
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}
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fflush(TIMELOG);
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} */
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}
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void FreeEnergyAnalyzer::WriteVis( ScaLBL_FreeLeeModel &LeeModel, std::shared_ptr<Database> input_db, int timestep){
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auto vis_db = input_db->getDatabase( "Visualization" );
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std::vector<IO::MeshDataStruct> visData;
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fillHalo<double> fillData(Dm->Comm,Dm->rank_info,{Dm->Nx-2,Dm->Ny-2,Dm->Nz-2},{1,1,1},0,1);
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IO::initialize("","silo","false");
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// Create the MeshDataStruct
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visData.resize(1);
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visData[0].meshName = "domain";
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visData[0].mesh = std::make_shared<IO::DomainMesh>( Dm->rank_info,Dm->Nx-2,Dm->Ny-2,Dm->Nz-2,Dm->Lx,Dm->Ly,Dm->Lz );
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auto VisPhase = std::make_shared<IO::Variable>();
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auto VisPressure = std::make_shared<IO::Variable>();
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auto VisChemicalPotential = std::make_shared<IO::Variable>();
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auto VxVar = std::make_shared<IO::Variable>();
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auto VyVar = std::make_shared<IO::Variable>();
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auto VzVar = std::make_shared<IO::Variable>();
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if (vis_db->getWithDefault<bool>( "save_phase_field", true )){
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VisPhase->name = "Phase";
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VisPhase->type = IO::VariableType::VolumeVariable;
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VisPhase->dim = 1;
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VisPhase->data.resize(Dm->Nx-2,Dm->Ny-2,Dm->Nz-2);
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visData[0].vars.push_back(VisPhase);
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}
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if (vis_db->getWithDefault<bool>( "save_potential", true )){
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VisPressure->name = "Pressure";
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VisPressure->type = IO::VariableType::VolumeVariable;
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VisPressure->dim = 1;
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VisPressure->data.resize(Dm->Nx-2,Dm->Ny-2,Dm->Nz-2);
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visData[0].vars.push_back(VisPressure);
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VisChemicalPotential->name = "ChemicalPotential";
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VisChemicalPotential->type = IO::VariableType::VolumeVariable;
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VisChemicalPotential->dim = 1;
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VisChemicalPotential->data.resize(Dm->Nx-2,Dm->Ny-2,Dm->Nz-2);
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visData[0].vars.push_back(VisChemicalPotential);
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}
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if (vis_db->getWithDefault<bool>( "save_velocity", false )){
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VxVar->name = "Velocity_x";
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VxVar->type = IO::VariableType::VolumeVariable;
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VxVar->dim = 1;
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VxVar->data.resize(Dm->Nx-2,Dm->Ny-2,Dm->Nz-2);
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visData[0].vars.push_back(VxVar);
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VyVar->name = "Velocity_y";
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VyVar->type = IO::VariableType::VolumeVariable;
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VyVar->dim = 1;
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VyVar->data.resize(Dm->Nx-2,Dm->Ny-2,Dm->Nz-2);
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visData[0].vars.push_back(VyVar);
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VzVar->name = "Velocity_z";
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VzVar->type = IO::VariableType::VolumeVariable;
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VzVar->dim = 1;
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VzVar->data.resize(Dm->Nx-2,Dm->Ny-2,Dm->Nz-2);
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visData[0].vars.push_back(VzVar);
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}
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if (vis_db->getWithDefault<bool>( "save_phase", true )){
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ASSERT(visData[0].vars[0]->name=="Phase");
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LeeModel.getPhase(Phi);
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Array<double>& PhaseData = visData[0].vars[0]->data;
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fillData.copy(Phi,PhaseData);
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}
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if (vis_db->getWithDefault<bool>( "save_potential", true )){
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ASSERT(visData[0].vars[1]->name=="Pressure");
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LeeModel.getPotential(Pressure, ChemicalPotential);
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Array<double>& PressureData = visData[0].vars[1]->data;
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fillData.copy(Pressure,PressureData);
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ASSERT(visData[0].vars[2]->name=="ChemicalPotential");
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Array<double>& ChemicalPotentialData = visData[0].vars[2]->data;
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fillData.copy(ChemicalPotential,ChemicalPotentialData);
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}
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if (vis_db->getWithDefault<bool>( "save_velocity", false )){
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ASSERT(visData[0].vars[3]->name=="Velocity_x");
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ASSERT(visData[0].vars[4]->name=="Velocity_y");
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ASSERT(visData[0].vars[5]->name=="Velocity_z");
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LeeModel.getVelocity(Vel_x,Vel_y,Vel_z);
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Array<double>& VelxData = visData[0].vars[3]->data;
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Array<double>& VelyData = visData[0].vars[4]->data;
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Array<double>& VelzData = visData[0].vars[5]->data;
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fillData.copy(Vel_x,VelxData);
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fillData.copy(Vel_y,VelyData);
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fillData.copy(Vel_z,VelzData);
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}
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if (vis_db->getWithDefault<bool>( "write_silo", true ))
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IO::writeData( timestep, visData, Dm->Comm );
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/* if (vis_db->getWithDefault<bool>( "save_8bit_raw", true )){
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char CurrentIDFilename[40];
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sprintf(CurrentIDFilename,"id_t%d.raw",timestep);
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Averages.AggregateLabels(CurrentIDFilename);
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}
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*/
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}
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