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