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Atomic-orbital Based Ab-initio Computation at UStc
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write_HS_R.cpp File Reference
#include "write_HS_R.h"
#include "source_base/timer.h"
#include "source_io/module_parameter/parameter.h"
#include "source_lcao/LCAO_HS_arrays.hpp"
#include "source_lcao/spar_dh.h"
#include "source_lcao/spar_hsr.h"
#include "source_lcao/spar_st.h"
#include "write_HS_sparse.h"
Include dependency graph for write_HS_R.cpp:

Functions

template void ModuleIO::output_HSR< std::complex< double > > (const UnitCell &ucell, const int &istep, const ModuleBase::matrix &v_eff, const Parallel_Orbitals &pv, LCAO_HS_Arrays &HS_Arrays, const Grid_Driver &grid, const K_Vectors &kv, hamilt::Hamilt< std::complex< double > > *p_ham, const std::string &SR_filename, const std::string &HR_filename_up, const std::string HR_filename_down, const bool &binary, const double &sparse_thr)
 
template void ModuleIO::output_SR< std::complex< double > > (Parallel_Orbitals &pv, const Grid_Driver &grid, hamilt::Hamilt< std::complex< double > > *p_ham, const std::string &SR_filename, const bool &binary, const double &sparse_thr)
 

Function Documentation

◆ ModuleIO::output_HSR< std::complex< double > >()

template void ModuleIO::output_HSR< std::complex< double > > ( const UnitCell ucell,
const int &  istep,
const ModuleBase::matrix v_eff,
const Parallel_Orbitals pv,
LCAO_HS_Arrays HS_Arrays,
const Grid_Driver grid,
const K_Vectors kv,
hamilt::Hamilt< std::complex< double > > *  p_ham,
const std::string &  SR_filename,
const std::string &  HR_filename_up,
const std::string  HR_filename_down,
const bool &  binary,
const double &  sparse_thr 
)

◆ ModuleIO::output_SR< std::complex< double > >()

template void ModuleIO::output_SR< std::complex< double > > ( Parallel_Orbitals pv,
const Grid_Driver grid,
hamilt::Hamilt< std::complex< double > > *  p_ham,
const std::string &  SR_filename,
const bool &  binary,
const double &  sparse_thr 
)