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#ifndef ATC_TRANSFER_PARTITION_OF_UNITY_H
#define ATC_TRANSFER_PARTITION_OF_UNITY_H
// ATC headers
#include "ATC_Transfer.h"
namespace ATC {
class ATC_TransferPartitionOfUnity : public ATC_Transfer {
public:
// constructor
ATC_TransferPartitionOfUnity(std::string groupName,
double **& perAtomArray,
LAMMPS_NS::Fix * thisFix,
std::string matParamFile = "none");
// destructor
virtual ~ATC_TransferPartitionOfUnity();
protected:
/** routine to calculate matrix of kernel functions */
virtual void compute_kernel_matrix_molecule() {};
/** calculate projection on the fly*/
virtual void compute_projection(const DENS_MAT & atomData,
DENS_MAT & nodeData);
/** routine to calculate matrix of bond functions */
virtual void compute_bond_matrix();
/** routine to calculate kinetic part of stress */
virtual void compute_kinetic_stress(DENS_MAT& stress);
/** routine to calculate stress on-the-fly */
virtual void compute_potential_stress(DENS_MAT& stress);
/** routine to calculate kinetic part of heat flux */
virtual void compute_kinetic_heatflux(DENS_MAT& flux);
/** routine to calculate force part of the heat flux on-the-fly */
virtual void compute_potential_heatflux(DENS_MAT& flux);
/** compute velocity & difference betw atomic and (local) mean velocity */
void compute_variation_velocity();
/** calculate dislocation density tensor from DXA output */
virtual void compute_dislocation_density(DENS_MAT & dislocation_density);
private:
DENS_MAT variationVelocity_;
DENS_MAT vbar_;
};
}
#endif
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