io_dmk.h File Reference

#include "source_base/parallel_2d.h"
#include "source_cell/unitcell.h"
#include <string>
#include <vector>

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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
std::string	ModuleIO::dmk_gen_fname (const bool gamma_only, const int ispin, const int ik)
	Generates the filename for the DMK file based on the given parameters.
void	ModuleIO::dmk_write_ucell (std::ofstream &ofs, const UnitCell *ucell)
	Writes the unit cell information to a DMK file.
void	ModuleIO::dmk_read_ucell (std::ifstream &ifs)
	Reads the unit cell information lines in a DMK file.
void	ModuleIO::dmk_readData (std::ifstream &ifs, double &data)
	Read one double from a file.
void	ModuleIO::dmk_readData (std::ifstream &ifs, std::complex< double > &data)
	Read one complex double from a file.
template<typename T >
bool	ModuleIO::read_dmk (const int nspin, const int nk, const Parallel_2D &pv, const std::string &dmk_dir, std::vector< std::vector< T > > &dmk, std::ofstream &ofs_running)
	Reads the DMK data from a file.
template<typename T >
void	ModuleIO::write_dmk (const std::vector< std::vector< T > > &dmk, const int precision, const std::vector< double > &efs, const UnitCell *ucell, const Parallel_2D &pv)
	Writes the DMK data to a file.