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adding basic analysis capabilities

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This commit is contained in:
James McClure 2020-12-31 11:19:12 -05:00
parent 9826ef5624
commit 6f0a10c48d
2 changed files with 76 additions and 4 deletions
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78
analysis/ElectroChemistry.cpp
View File

@ -38,21 +38,94 @@ ElectroChemistryAnalyzer::ElectroChemistryAnalyzer(std::shared_ptr <Domain> dm):
}
ElectroChemistryAnalyzer::~ElectroChemistryAnalyzer(){
if (Dm->rank()==0){
fclose(TIMELOG);
}
}
void ElectroChemistryAnalyzer::SetParams(){
}
void ElectroChemistryAnalyzer::Basic(ScaLBL_IonModel &Ion, ScaLBL_Poisson &Poisson, ScaLBL_StokesModel &Stokes){
void ElectroChemistryAnalyzer::Basic(ScaLBL_IonModel &Ion, ScaLBL_Poisson &Poisson, ScaLBL_StokesModel &Stokes, int timestep){
int i,j,k;
Poisson.getElectricPotential(ElectricalPotential);
/* local sub-domain averages */
double rho_avg_local[Ion.number_ion_species];
double rho_mu_avg_local[Ion.number_ion_species];
double rho_mu_fluctuation_local[Ion.number_ion_species];
double rho_psi_avg_local[Ion.number_ion_species];
double rho_psi_fluctuation_local[Ion.number_ion_species];
/* global averages */
double rho_avg_global[Ion.number_ion_species];
double rho_mu_avg_global[Ion.number_ion_species];
double rho_mu_fluctuation_global[Ion.number_ion_species];
double rho_psi_avg_global[Ion.number_ion_species];
double rho_psi_fluctuation_global[Ion.number_ion_species];
for (int ion=0; ion<Ion.number_ion_species; ion++){
rho_avg_local[ion] = 0.0;
rho_mu_avg_local[ion] = 0.0;
rho_psi_avg_local[ion] = 0.0;
Ion.getIonConcentration(Rho,ion);
/* Compute averages for each ion */
for (k=1; k<Nz; k++){
for (j=1; j<Ny; j++){
for (i=1; i<Nx; i++){
rho_avg_local[ion] += Rho(i,j,k);
rho_mu_avg_local[ion] += Rho(i,j,k)*Rho(i,j,k);
rho_psi_avg_local[ion] += Rho(i,j,k)*ElectricalPotential(i,j,k);
}
}
}
rho_avg_global[ion]=sumReduce( Dm->Comm, rho_avg_local[ion]);
rho_mu_avg_global[ion]=sumReduce( Dm->Comm, rho_mu_avg_local[ion]);
rho_psi_avg_global[ion]=sumReduce( Dm->Comm, rho_psi_avg_local[ion]);
rho_mu_avg_global[ion] /= rho_avg_global[ion];
rho_psi_avg_global[ion] /= rho_avg_global[ion];
}
for (int ion=0; ion<Ion.number_ion_species; ion++){
rho_mu_fluctuation_local[ion] = 0.0;
rho_psi_fluctuation_local[ion] = 0.0;
/* Compute averages for each ion */
for (k=1; k<Nz; k++){
for (j=1; j<Ny; j++){
for (i=1; i<Nx; i++){
rho_mu_fluctuation_local[ion] += (Rho(i,j,k)*Rho(i,j,k) - rho_mu_avg_global[ion]);
rho_psi_fluctuation_local[ion] += (Rho(i,j,k)*ElectricalPotential(i,j,k) - rho_psi_avg_global[ion]);
}
}
}
rho_mu_fluctuation_global[ion]=sumReduce( Dm->Comm, rho_mu_fluctuation_local[ion]);
rho_psi_fluctuation_global[ion]=sumReduce( Dm->Comm, rho_psi_fluctuation_local[ion]);
}
if (Dm->rank()==0){
fprintf(TIMELOG,"%i ",timestep);
for (int ion=0; ion<Ion.number_ion_species; ion++){
fprintf(TIMELOG,"%.8g ",rho_avg_global[ion]);
fprintf(TIMELOG,"%.8g ",rho_mu_avg_global[ion]);
fprintf(TIMELOG,"%.8g ",rho_psi_avg_global[ion]);
fprintf(TIMELOG,"%.8g ",rho_mu_fluctuation_global[ion]);
fprintf(TIMELOG,"%.8g ",rho_psi_fluctuation_global[ion]);
}
fflush(TIMELOG);
}
/* else{
fprintf(TIMELOG,"%i ",timestep);
for (int ion=0; ion<Ion.number_ion_species; ion++){
fprintf(TIMELOG,"%.8g ",rho_avg_local[ion]);
fprintf(TIMELOG,"%.8g ",rho_mu_avg_local[ion]);
fprintf(TIMELOG,"%.8g ",rho_psi_avg_local[ion]);
fprintf(TIMELOG,"%.8g ",rho_mu_fluctuation_local[ion]);
fprintf(TIMELOG,"%.8g ",rho_psi_fluctuation_local[ion]);
}
fflush(TIMELOG);
} */
}
void ElectroChemistryAnalyzer::WriteVis( ScaLBL_IonModel &Ion, ScaLBL_Poisson &Poisson, ScaLBL_StokesModel &Stokes, std::shared_ptr<Database> input_db, int timestep){
@ -89,7 +162,6 @@ void ElectroChemistryAnalyzer::WriteVis( ScaLBL_IonModel &Ion, ScaLBL_Poisson &P
IonConcentration->data.resize(Dm->Nx-2,Dm->Ny-2,Dm->Nz-2);
visData[0].vars.push_back(IonConcentration);
}
}
if (vis_db->getWithDefault<bool>( "save_velocity", false )){
VxVar->name = "Velocity_x";

2
analysis/ElectroChemistry.h
View File

@ -47,7 +47,7 @@ public:
~ElectroChemistryAnalyzer();
void SetParams();
void Basic( ScaLBL_IonModel &Ion, ScaLBL_Poisson &Poisson, ScaLBL_StokesModel &Stokes);
void Basic( ScaLBL_IonModel &Ion, ScaLBL_Poisson &Poisson, ScaLBL_StokesModel &Stokes, int timestep);
void WriteVis( ScaLBL_IonModel &Ion, ScaLBL_Poisson &Poisson, ScaLBL_StokesModel &Stokes, std::shared_ptr<Database> input_db, int timestep);
private: