write_HS_sparse.h File Reference

#include "source_base/global_function.h"
#include "source_base/global_variable.h"
#include "source_basis/module_ao/parallel_orbitals.h"
#include "source_lcao/LCAO_HS_arrays.hpp"
#include <string>

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Namespaces
namespace	ModuleIO
	This class has two functions: restart psi from the previous calculation, and write psi to the disk.

Functions
void	ModuleIO::save_HSR_sparse (const int &istep, const Parallel_Orbitals &pv, LCAO_HS_Arrays &HS_Arrays, const double &sparse_thr, const bool &binary, const std::string &SR_filename, const std::string &HR_filename_up, const std::string &HR_filename_down)
void	ModuleIO::save_dH_sparse (const int &istep, const Parallel_Orbitals &pv, LCAO_HS_Arrays &HS_Arrays, const double &sparse_thr, const bool &binary, const std::string &fileflag="h")
template<typename Tdata >
void	ModuleIO::save_sparse (const std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, Tdata > > > &smat, const std::set< Abfs::Vector3_Order< int > > &all_R_coor, const double &sparse_thr, const bool &binary, const std::string &filename, const Parallel_Orbitals &pv, const std::string &label, const int &istep=-1, const bool &reduce=true)