pulay_fs_temp.hpp File Reference

#include <omp.h>
#include "pulay_fs.h"
#include "source_base/timer.h"
#include "source_io/module_parameter/parameter.h"

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Namespaces
namespace	PulayForceStress

Functions
template<typename TK , typename TR , typename Tfunc >
void	PulayForceStress::cal_pulay_fs (ModuleBase::matrix &f, ModuleBase::matrix &s, const elecstate::DensityMatrix< TK, TR > &dm, const UnitCell &ucell, const Parallel_Orbitals &pv, const double **dHSx, const double **dHSxy, const double *dtau, const bool &isforce, const bool &isstress, Record_adj *ra, const double &factor_force, const double &factor_stress, Tfunc &stress_func)