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lammps/lib/atc/ExtrinsicModel.cpp
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ExtrinsicModel.cpp
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// ATC Headers
#include "ExtrinsicModel.h"
#include "ExtrinsicModelTwoTemperature.h"
#include "ExtrinsicModelDriftDiffusion.h"
#include "ExtrinsicModelElectrostatic.h"
#include "ATC_Error.h"
#include "TimeIntegrator.h"
#include "ATC_Coupling.h"
#include "LammpsInterface.h"
#include "PrescribedDataManager.h"
#include "PhysicsModel.h"
#include <sstream>
using std::stringstream;
using std::vector;
using std::map;
using std::string;
namespace ATC {
//--------------------------------------------------------
//--------------------------------------------------------
// Class ExtrinsicModelManager
//--------------------------------------------------------
//--------------------------------------------------------
//--------------------------------------------------------
// Constructor
//--------------------------------------------------------
ExtrinsicModelManager::ExtrinsicModelManager(ATC_Coupling * atc) :
atc_(atc)
{
// do nothing
}
//--------------------------------------------------------
// Destructor
//--------------------------------------------------------
ExtrinsicModelManager::~ExtrinsicModelManager()
{
vector<ExtrinsicModel *>::iterator imodel;
for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
delete *(imodel);
}
//--------------------------------------------------------
// modify
//--------------------------------------------------------
bool ExtrinsicModelManager::modify(int narg, char **arg)
{
bool foundMatch = false;
// loop over models with command
vector<ExtrinsicModel *>::iterator imodel;
for(imodel=extrinsicModels_.begin();
imodel!=extrinsicModels_.end(); imodel++) {
foundMatch = (*imodel)->modify(narg,arg);
if (foundMatch) break;
}
return foundMatch;
}
//--------------------------------------------------------
// create_model
//--------------------------------------------------------
void ExtrinsicModelManager::create_model(ExtrinsicModelType modelType,
string matFileName)
{
string typeName;
bool validModel = model_to_string(modelType,typeName);
if (!validModel) {
throw ATC_Error("Could not create extrinsic model");
return;
}
ExtrinsicModel * myModel;
if (modelType==TWO_TEMPERATURE) {
stringstream ss;
ss << "creating two_temperature extrinsic model";
ATC::LammpsInterface::instance()->print_msg_once(ss.str());
myModel = new ExtrinsicModelTwoTemperature
(this,modelType,matFileName);
}
else if (modelType==DRIFT_DIFFUSION
|| modelType==DRIFT_DIFFUSION_EQUILIBRIUM
|| modelType==DRIFT_DIFFUSION_SCHRODINGER
|| modelType==DRIFT_DIFFUSION_SCHRODINGER_SLICE)
{
stringstream ss;
ss << "creating drift_diffusion extrinsic model";
ATC::LammpsInterface::instance()->print_msg_once(ss.str());
myModel = new ExtrinsicModelDriftDiffusion
(this,modelType,matFileName);
}
else if (modelType==CONVECTIVE_DRIFT_DIFFUSION
|| modelType==CONVECTIVE_DRIFT_DIFFUSION_EQUILIBRIUM
|| modelType==CONVECTIVE_DRIFT_DIFFUSION_SCHRODINGER) {
stringstream ss;
ss << "creating convective_drift_diffusion extrinsic model";
ATC::LammpsInterface::instance()->print_msg_once(ss.str());
myModel = new ExtrinsicModelDriftDiffusionConvection
(this,modelType,matFileName);
}
else if (modelType==ELECTROSTATIC || modelType==ELECTROSTATIC_EQUILIBRIUM) {
stringstream ss;
ss << "creating electrostatic extrinsic model";
ATC::LammpsInterface::instance()->print_msg_once(ss.str());
myModel = new ExtrinsicModelElectrostaticMomentum
(this,modelType,matFileName);
}
else if (modelType==FEM_EFIELD) {
stringstream ss;
ss << "creating fem_efield extrinsic model";
ATC::LammpsInterface::instance()->print_msg_once(ss.str());
myModel = new ExtrinsicModelElectrostatic
(this,modelType,matFileName);
}
extrinsicModels_.push_back(myModel);
// add new fields to fields data
map<FieldName,int> fieldSizes;
myModel->num_fields(fieldSizes);
atc_->add_fields(fieldSizes);
}
//--------------------------------------------------------
// initialize
//--------------------------------------------------------
void ExtrinsicModelManager::construct_transfers()
{
vector<ExtrinsicModel *>::iterator imodel;
for(imodel=extrinsicModels_.begin();
imodel!=extrinsicModels_.end(); imodel++) {
// initialize models
(*imodel)->construct_transfers();
}
}
//--------------------------------------------------------
// initialize
//--------------------------------------------------------
void ExtrinsicModelManager::initialize()
{
vector<ExtrinsicModel *>::iterator imodel;
for(imodel=extrinsicModels_.begin();
imodel!=extrinsicModels_.end(); imodel++) {
// initialize models
(*imodel)->initialize();
}
}
//--------------------------------------------------------
// get_model : access to a particular type of model
//--------------------------------------------------------
const ExtrinsicModel * ExtrinsicModelManager::model(const ExtrinsicModelType type) const {
vector<ExtrinsicModel *>::const_iterator imodel;
for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++) {
if ((*imodel)->model_type()==type) return *imodel;
}
return NULL;
}
//--------------------------------------------------------
// size_vector
//--------------------------------------------------------
int ExtrinsicModelManager::size_vector(int intrinsicSize)
{
int extrinsicSize = 0;
vector<ExtrinsicModel *>::iterator imodel;
for(imodel=extrinsicModels_.begin();
imodel!=extrinsicModels_.end(); imodel++) {
// query all models for LAMMPS display
int currentSize = intrinsicSize + extrinsicSize;
extrinsicSize += (*imodel)->size_vector(currentSize);
}
return extrinsicSize;
}
//--------------------------------------------------------
// compute_scalar
//--------------------------------------------------------
double ExtrinsicModelManager::compute_scalar(void)
{
double value = 0.;
vector<ExtrinsicModel *>::iterator imodel;
for(imodel=extrinsicModels_.begin();
imodel!=extrinsicModels_.end(); imodel++) {
value += (*imodel)->compute_scalar(); // sum
}
return value;
}
//--------------------------------------------------------
// compute_vector
//--------------------------------------------------------
double ExtrinsicModelManager::compute_vector(int n)
{
double value = 0.;
vector<ExtrinsicModel *>::iterator imodel;
for(imodel=extrinsicModels_.begin();
imodel!=extrinsicModels_.end(); imodel++) {
// query all models for LAMMPS display
if ((*imodel)->compute_vector(n,value))
break;
}
return value;
}
//--------------------------------------------------------
// finish
//--------------------------------------------------------
void ExtrinsicModelManager::finish()
{
// do nothing
}
//--------------------------------------------------------
// pre_init_integrate
//--------------------------------------------------------
void ExtrinsicModelManager::pre_init_integrate(ExtrinsicModelType modelType)
{
vector<ExtrinsicModel *>::iterator imodel;
if (modelType == NUM_MODELS) {// execute all the models
for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
(*imodel)->pre_init_integrate();
}
else { // execute only requested type of model
for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
if ((*imodel)->model_type() == modelType)
(*imodel)->pre_init_integrate();
}
}
//--------------------------------------------------------
// post_init_integrate
//--------------------------------------------------------
void ExtrinsicModelManager::post_init_integrate(ExtrinsicModelType modelType)
{
vector<ExtrinsicModel *>::iterator imodel;
if (modelType == NUM_MODELS) {// execute all the models
for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
(*imodel)->post_init_integrate();
}
else { // execute only requested type of model
for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
if ((*imodel)->model_type() == modelType)
(*imodel)->post_init_integrate();
}
}
//--------------------------------------------------------
// post_force
//--------------------------------------------------------
void ExtrinsicModelManager::post_force(ExtrinsicModelType modelType)
{
vector<ExtrinsicModel *>::iterator imodel;
if (modelType == NUM_MODELS) {// execute all the models
for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
(*imodel)->post_force();
}
else { // execute only requested type of model
for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
if ((*imodel)->model_type() == modelType)
(*imodel)->post_force();
}
}
//--------------------------------------------------------
// pre_final_integrate
//--------------------------------------------------------
void ExtrinsicModelManager::pre_final_integrate(ExtrinsicModelType modelType)
{
vector<ExtrinsicModel *>::iterator imodel;
if (modelType == NUM_MODELS) {// execute all the models
for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
(*imodel)->pre_final_integrate();
}
else { // execute only requested type of model
for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
if ((*imodel)->model_type() == modelType)
(*imodel)->pre_final_integrate();
}
}
//--------------------------------------------------------
// post_final_integrate
//--------------------------------------------------------
void ExtrinsicModelManager::post_final_integrate(ExtrinsicModelType modelType)
{
vector<ExtrinsicModel *>::iterator imodel;
if (modelType == NUM_MODELS) {// execute all the models
for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
(*imodel)->post_final_integrate();
}
else { // execute only requested type of model
for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
if ((*imodel)->model_type() == modelType)
(*imodel)->post_final_integrate();
}
}
//--------------------------------------------------------
// set_sources
//--------------------------------------------------------
void ExtrinsicModelManager::set_sources(FIELDS & fields, FIELDS & sources, ExtrinsicModelType modelType)
{
vector<ExtrinsicModel *>::iterator imodel;
if (modelType == NUM_MODELS) {// execute all the models
for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
(*imodel)->set_sources(fields,sources);
}
else { // execute only requested type of model
for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
if ((*imodel)->model_type() == modelType)
(*imodel)->set_sources(fields,sources);
}
}
//--------------------------------------------------------
// output
//--------------------------------------------------------
void ExtrinsicModelManager::output(OUTPUT_LIST & outputData)
{
vector<ExtrinsicModel *>::iterator imodel;
for(imodel=extrinsicModels_.begin(); imodel!=extrinsicModels_.end(); imodel++)
(*imodel)->output(outputData);
}
//--------------------------------------------------------
//--------------------------------------------------------
// Class ExtrinsicModel
//--------------------------------------------------------
//--------------------------------------------------------
//--------------------------------------------------------
// Constructor
//--------------------------------------------------------
ExtrinsicModel::ExtrinsicModel(ExtrinsicModelManager * modelManager,
ExtrinsicModelType modelType,
string matFileName) :
atc_(modelManager->atc()),
modelManager_(modelManager),
modelType_(modelType),
physicsModel_(NULL)
{
rhsMaskIntrinsic_.reset(NUM_FIELDS,NUM_FLUX);
rhsMaskIntrinsic_ = false;
}
//--------------------------------------------------------
// Destructor
//--------------------------------------------------------
ExtrinsicModel::~ExtrinsicModel()
{
if (physicsModel_) delete physicsModel_;
}
//--------------------------------------------------------
// initialize
//--------------------------------------------------------
void ExtrinsicModel::initialize(void)
{
physicsModel_->initialize();
}
//--------------------------------------------------------
// get_num_fields
// - sets dict of fields
//--------------------------------------------------------
void ExtrinsicModel::num_fields(map<FieldName,int> & fieldSizes)
{
physicsModel_->num_fields(fieldSizes,atc_->fieldMask_);
}
};
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