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Atomic-orbital Based Ab-initio Computation at UStc
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spar_st.cpp File Reference
#include "spar_st.h"
#include "force_stress_arrays.h"
#include "source_io/module_parameter/parameter.h"
#include "source_lcao/LCAO_domain.h"
#include "source_pw/module_pwdft/global.h"
#include "spar_dh.h"
#include "spar_hsr.h"
#include <complex>
Include dependency graph for spar_st.cpp:

Functions

template void sparse_format::cal_SR< std::complex< double > > (const Parallel_Orbitals &pv, std::set< Abfs::Vector3_Order< int > > &all_R_coor, std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, double > > > &SR_sparse, std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, std::complex< double > > > > &SR_soc_sparse, const Grid_Driver &grid, const double &sparse_thr, hamilt::Hamilt< std::complex< double > > *p_ham)
 

Function Documentation

◆ sparse_format::cal_SR< std::complex< double > >()

template void sparse_format::cal_SR< std::complex< double > > ( const Parallel_Orbitals pv,
std::set< Abfs::Vector3_Order< int > > &  all_R_coor,
std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, double > > > &  SR_sparse,
std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, std::complex< double > > > > &  SR_soc_sparse,
const Grid_Driver grid,
const double &  sparse_thr,
hamilt::Hamilt< std::complex< double > > *  p_ham 
)