gint_common.cpp File Reference

#include "gint_common.h"
#include "source_lcao/module_hcontainer/hcontainer.h"
#include "source_lcao/module_hcontainer/hcontainer_funcs.h"
#include "source_io/module_parameter/parameter.h"
#include "source_base/tool_quit.h"
#include <type_traits>
#include "source_base/module_external/blacs_connector.h"
#include <mpi.h>

Include dependency graph for gint_common.cpp:

Namespaces
namespace	ModuleGint

Functions
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::compose_hr_gint (HContainer< T > &hr_gint)
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 >
std::enable_if< std::is_same< TGint, TDM >::value >::type	ModuleGint::gather_dm (const HContainer< TDM > &dm_src, HContainer< TGint > &dm_dst, const GintInfo &)
template<typename TGint , typename TDM >
std::enable_if<!std::is_same< TGint, TDM >::value >::type	ModuleGint::gather_dm (const HContainer< TDM > &dm_src, HContainer< TGint > &dm_dst, 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)
int	ModuleGint::globalIndex (int localindex, int nblk, int nprocs, int myproc)
int	ModuleGint::localIndex (int globalindex, int nblk, int nprocs, int &myproc)
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)
template void	ModuleGint::compose_hr_gint (HContainer< double > &hr_gint)
template void	ModuleGint::compose_hr_gint (HContainer< float > &hr_gint)
template void	ModuleGint::hr_gint_to_hR (const HContainer< double > &hr_gint, HContainer< double > &hR)
template void	ModuleGint::hr_gint_to_hR (const HContainer< std::complex< double > > &hr_gint, HContainer< std::complex< double > > &hR)
template void	ModuleGint::cast_hcontainer_values (const HContainer< double > &src, HContainer< float > &dst)
template void	ModuleGint::cast_hcontainer_values (const HContainer< float > &src, HContainer< double > &dst)
template HContainer< float >	ModuleGint::make_cast_hcontainer (const HContainer< double > &src)
template HContainer< double >	ModuleGint::make_cast_hcontainer (const HContainer< float > &src)
template void	ModuleGint::dm_2d_to_gint (const GintInfo &gint_info, const std::vector< HContainer< double > * > &dm, std::vector< HContainer< double > > &dm_gint)
template void	ModuleGint::dm_2d_to_gint (const GintInfo &gint_info, const std::vector< HContainer< double > * > &dm, std::vector< HContainer< float > > &dm_gint)
template void	ModuleGint::dm_2d_to_gint (const GintInfo &gint_info, const std::vector< HContainer< std::complex< double > > * > &dm, std::vector< HContainer< std::complex< double > > > &dm_gint)
template void	ModuleGint::wfc_2d_to_gint (const double *wfc_2d, int nbands, int nlocal, const Parallel_Orbitals &pv, double *wfc_grid, const GintInfo &gint_info)
template void	ModuleGint::wfc_2d_to_gint (const std::complex< double > *wfc_2d, int nbands, int nlocal, const Parallel_Orbitals &pv, std::complex< double > *wfc_grid, const GintInfo &gint_info)