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