forked from lijiext/lammps
89 lines
2.2 KiB
C++
89 lines
2.2 KiB
C++
#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
|