write_dmr.cpp File Reference

#include "write_dmr.h"
#include "source_io/module_parameter/parameter.h"
#include "source_lcao/module_hcontainer/hcontainer_funcs.h"
#include "source_lcao/module_hcontainer/output_hcontainer.h"
#include "source_pw/module_pwdft/global.h"
#include <iostream>

Include dependency graph for write_dmr.cpp:

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

Functions
std::string	ModuleIO::dmr_gen_fname (const int out_type, const int ispin, const bool append, const int istep)
void	ModuleIO::write_dmr_csr (std::string &fname, hamilt::HContainer< double > *dm_serial, const int istep)
void	ModuleIO::write_dmr (const std::vector< hamilt::HContainer< double > * > dmr, const Parallel_2D &paraV, const bool append, const int *iat2iwt, const int nat, const int istep)