pulay_fs_gint.hpp File Reference

#include "pulay_fs.h"
#include "source_lcao/stress_tools.h"
#include "source_hamilt/module_xc/xc_functional.h"
#include "source_io/module_parameter/parameter.h"
#include "source_lcao/module_gint/gint_interface.h"

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Namespaces
namespace	PulayForceStress

Functions
template<typename TK , typename TR >
void	PulayForceStress::cal_pulay_fs (ModuleBase::matrix &f, ModuleBase::matrix &s, const elecstate::DensityMatrix< TK, TR > &dm, const UnitCell &ucell, const elecstate::Potential *pot, const bool &isforce, const bool &isstress, const bool &set_dmr_gint=true)
	for grid-integration terms