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lammps/lib/atc/ExtrinsicModelTwoTemperature.h
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ExtrinsicModelTwoTemperature.h
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#ifndef EXTRINSIC_MODEL_TWO_TEMPERATURE
#define EXTRINSIC_MODEL_TWO_TEMPERATURE
#include <string>
#include "ExtrinsicModel.h"
#include "FieldEulerIntegrator.h"
namespace ATC {
class ATC_Coupling;
class PrescribedDataManager;
class ExtrinsicModel;
class PhysicsModel;
/**
* @class ExtrinsicModelTwoTemperature
* @brief add electron temperature physics to phonon physics
* owned field: ELECTRON_TEMPERATURE
*/
//--------------------------------------------------------
//--------------------------------------------------------
// Class ExtrinsicModelTwoTemperature
//--------------------------------------------------------
//--------------------------------------------------------
class ExtrinsicModelTwoTemperature : public ExtrinsicModel {
public:
// constructor
ExtrinsicModelTwoTemperature(ExtrinsicModelManager * modelManager,
ExtrinsicModelType modelType,
std::string matFileName);
// destructor
virtual ~ExtrinsicModelTwoTemperature();
/** parser/modifier */
virtual bool modify(int narg, char **arg);
/** pre time integration */
virtual void initialize();
/** Predictor phase, executed before Verlet */
virtual void pre_init_integrate();
/** Set sources to AtC equation */
virtual void set_sources(FIELDS & fields, FIELDS & sources);
/** Add model-specific output data */
virtual void output(OUTPUT_LIST & outputData);
/** set up LAMMPS display variables */
virtual int size_vector(int externalSize);
/** get LAMMPS display variables */
virtual bool compute_vector(int n, double & value);
protected:
/** electron time integration flag */
TimeIntegrator::TimeIntegrationType electronTimeIntegration_;
/** electron time integration flag */
FieldEulerIntegrator * temperatureIntegrator_;
/** number of electron time integration subscycles */
int nsubcycle_;
/** flag for turning off exchange during equilibration */
bool exchangeFlag_;
/** offset/size for LAMMPS display output */
int baseSize_;
};
};
#endif
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