spar_hsr.h File Reference

#include "source_lcao/hamilt_lcao.h"

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Namespaces
namespace	sparse_format

Typedefs
using	sparse_format::TAC = std::pair< int, std::array< int, 3 > >

Functions
void	sparse_format::sync_all_R_coor (std::set< Abfs::Vector3_Order< int > > &all_R_coor, MPI_Comm comm)
template<typename T >
std::set< Abfs::Vector3_Order< int > >	sparse_format::get_R_range (const hamilt::HContainer< T > &hR)
void	sparse_format::cal_HSR (const UnitCell &ucell, const Parallel_Orbitals &pv, LCAO_HS_Arrays &HS_Arrays, const Grid_Driver &grid, const int &current_spin, const double &sparse_thr, const int(&nmp)[3], hamilt::Hamilt< std::complex< double > > *p_ham)
void	sparse_format::cal_HContainer_d (const Parallel_Orbitals &pv, const int &current_spin, const double &sparse_threshold, const hamilt::HContainer< double > &hR, std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, double > > > &target)
void	sparse_format::cal_HContainer_cd (const Parallel_Orbitals &pv, const int &current_spin, const double &sparse_threshold, const hamilt::HContainer< std::complex< double > > &hR, std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, std::complex< double > > > > &target)
void	sparse_format::cal_HContainer_td (const Parallel_Orbitals &pv, const int &current_spin, const double &sparse_threshold, const hamilt::HContainer< double > &hR, std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, std::complex< double > > > > &target)
void	sparse_format::clear_zero_elements (LCAO_HS_Arrays &HS_Arrays, const int &current_spin, const double &sparse_thr)
void	sparse_format::destroy_HS_R_sparse (LCAO_HS_Arrays &HS_Arrays)