gint_common.h File Reference

#include "source_lcao/module_hcontainer/hcontainer.h"
#include "source_lcao/module_gint/gint_info.h"

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Namespaces
namespace	ModuleGint

Functions
template<typename T >
void	ModuleGint::compose_hr_gint (HContainer< T > &hr_gint)
template<typename Tout , typename Tin >
void	ModuleGint::cast_hcontainer_values (const HContainer< Tin > &src, HContainer< Tout > &dst)
template<typename Tout , typename Tin >
HContainer< Tout >	ModuleGint::make_cast_hcontainer (const HContainer< Tin > &src)
template<typename T >
void	ModuleGint::hr_gint_to_hR (const HContainer< T > &hr_gint, HContainer< T > &hR)
void	ModuleGint::merge_hr_part_to_hR (const std::vector< hamilt::HContainer< double > > &hr_gint_tmp, hamilt::HContainer< std::complex< double > > *hR, const GintInfo &gint_info)
template<typename TGint , typename TDM >
void	ModuleGint::dm_2d_to_gint (const GintInfo &gint_info, const std::vector< HContainer< TDM > * > &dm, std::vector< HContainer< TGint > > &dm_gint)
template<typename T >
void	ModuleGint::wfc_2d_to_gint (const T *wfc_2d, int nbands, int nlocal, const Parallel_Orbitals &pv, T *wfc_gint, const GintInfo &gint_info)