spar_dh.h File Reference

#include "source_cell/module_neighbor/sltk_atom_arrange.h"
#include "source_cell/module_neighbor/sltk_grid_driver.h"
#include "source_lcao/LCAO_HS_arrays.hpp"
#include "source_lcao/force_stress_arrays.h"
#include "source_lcao/hamilt_lcao.h"
#include "source_pw/module_pwdft/global.h"
#include <vector>

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Namespaces
namespace	sparse_format

Functions
void	sparse_format::cal_dH (const UnitCell &ucell, const Parallel_Orbitals &pv, LCAO_HS_Arrays &HS_Arrays, const Grid_Driver &grid, const TwoCenterBundle &two_center_bundle, const LCAO_Orbitals &orb, const int &current_spin, const double &sparse_thr, const ModuleBase::matrix &v_eff)
void	sparse_format::cal_dS (const UnitCell &ucell, const Parallel_Orbitals &pv, LCAO_HS_Arrays &HS_Arrays, const Grid_Driver &grid, const TwoCenterBundle &two_center_bundle, const LCAO_Orbitals &orb, const double &sparse_thr)
void	sparse_format::set_R_range (std::set< Abfs::Vector3_Order< int > > &all_R_coor, const Grid_Driver &grid)
void	sparse_format::cal_dSTN_R (const UnitCell &ucell, const Parallel_Orbitals &pv, LCAO_HS_Arrays &HS_Arrays, ForceStressArrays &fsr, const Grid_Driver &grid, const std::vector< double > &orb_cutoff, const int &current_spin, const double &sparse_thr)
void	sparse_format::destroy_dH_R_sparse (LCAO_HS_Arrays &HS_Arrays)