pulay_force_stress_center2.cpp File Reference

#include "pulay_force_stress.h"

Include dependency graph for pulay_force_stress_center2.cpp:

Namespaces
namespace	PulayForceStress

Functions
template<>
void	PulayForceStress::cal_pulay_fs (ModuleBase::matrix &f, ModuleBase::matrix &s, const elecstate::DensityMatrix< double, double > &dm, const UnitCell &ucell, const Parallel_Orbitals &pv, const double *(&dHSx)[3], const double *(&dHSxy)[6], const bool &isforce, const bool &isstress, Record_adj *ra, const double &factor_force, const double &factor_stress)
template<>
void	PulayForceStress::cal_pulay_fs (ModuleBase::matrix &f, ModuleBase::matrix &s, const elecstate::DensityMatrix< std::complex< double >, double > &dm, const UnitCell &ucell, const Parallel_Orbitals &pv, const double *(&dHSx)[3], const double *(&dHSxy)[6], const bool &isforce, const bool &isstress, Record_adj *ra, const double &factor_force, const double &factor_stress)
template<>
void	PulayForceStress::cal_pulay_fs (ModuleBase::matrix &f, ModuleBase::matrix &s, const elecstate::DensityMatrix< std::complex< double >, double > &dm, const UnitCell &ucell, const Parallel_Orbitals &pv, const double *(&dHSx)[3], const double *dtau, const bool &isforce, const bool &isstress, Record_adj *ra, const double &factor_force, const double &factor_stress)