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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
gint_common.h File Reference
#include "source_lcao/module_hcontainer/hcontainer.h"
#include "source_lcao/module_gint/temp_gint/gint_info.h"
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Namespaces

namespace  ModuleGint
 

Functions

void ModuleGint::compose_hr_gint (HContainer< double > &hr_gint)
 
void ModuleGint::compose_hr_gint (const std::vector< HContainer< double > > &hr_gint_part, HContainer< std::complex< double > > &hr_gint_full)
 
template<typename T >
void ModuleGint::transfer_hr_gint_to_hR (const HContainer< T > &hr_gint, HContainer< T > &hR)
 
template<typename T >
void ModuleGint::transfer_dm_2d_to_gint (const GintInfo &gint_info, std::vector< HContainer< T > * > dm, std::vector< HContainer< T > > &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)