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lammps/lib/atc/ATC_CouplingMass.h
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ATC_CouplingMass.h
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#ifndef ATC_COUPLING_MASS_H
#define ATC_COUPLING_MASS_H
/** owned field/s: MASS_DENSITY */
// ATC headers
#include "ATC_Coupling.h"
// Other headers
#include <map>
#include <string>
namespace ATC {
// Forward declarations
class FE_Engine;
class SpeciesTimeIntegrator;
class ChargeRegulator;
class ConcentrationRegulator;
/**
* @class ATC_CouplingMass
* @brief A class for atom-continuum transfers & control for species transport
*/
//--------------------------------------------------------
//--------------------------------------------------------
// Class ATC_CouplingMass
//--------------------------------------------------------
//--------------------------------------------------------
class ATC_CouplingMass : public ATC_Coupling {
public:
// constructor
ATC_CouplingMass(std::string groupName,
double **& perAtomArray,
LAMMPS_NS::Fix * thisFix,
std::string matParamFile,
ExtrinsicModelType extrinsic = NO_MODEL);
// destructor
virtual ~ATC_CouplingMass();
/** parser/modifier */
virtual bool modify(int narg, char **arg);
/** pre time integration */
virtual void initialize();
/** prior to exchange */
virtual void pre_exchange();
virtual void reset_atoms() { resetNlocal_=true;}
/** compute vector for output */
virtual double compute_vector(int n);
/** output routines */
virtual void output();
protected:
// functions
//---------------------------------------------------------------
/** initialization routines */
//---------------------------------------------------------------
/** constructs all data which is updated with time integration, i.e. fields */
//virtual void construct_time_integration_data();
/** set up data which is dependency managed */
virtual void construct_transfers();
/** sets the position/velocity of the ghost atoms */
virtual void set_ghost_atoms(){};
/** physics specific filter initialization */
void init_filter();
bool resetNlocal_;
// i.e. we only need the correct shape function matrix for restriction
};
};
#endif
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