write_wfc_nao.cpp File Reference

#include "write_wfc_nao.h"
#include "source_io/module_parameter/parameter.h"
#include "source_base/memory.h"
#include "source_base/timer.h"
#include "source_base/tool_title.h"
#include "source_base/parallel_2d.h"
#include "source_base/module_external/scalapack_connector.h"
#include "source_base/global_variable.h"
#include "source_base/global_function.h"
#include "binstream.h"
#include "filename.h"

Include dependency graph for write_wfc_nao.cpp:

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

Functions
void	ModuleIO::wfc_nao_write2file (const std::string &name, const double *ctot, const int nlocal, const int ik, const ModuleBase::matrix &ekb, const ModuleBase::matrix &wg, const bool &writeBinary, const bool &append_flag)
void	ModuleIO::wfc_nao_write2file_complex (const std::string &name, const std::complex< double > *ctot, const int nlocal, const int &ik, const ModuleBase::Vector3< double > &kvec_c, const ModuleBase::matrix &ekb, const ModuleBase::matrix &wg, const bool &writeBinary, const bool &append_flag)
template<typename T >
void	ModuleIO::write_wfc_nao (const int out_type, const bool out_app_flag, const psi::Psi< T > &psi, const ModuleBase::matrix &ekb, const ModuleBase::matrix &wg, const std::vector< ModuleBase::Vector3< double > > &kvec_c, const std::vector< int > &ik2iktot, const int nkstot, const Parallel_Orbitals &pv, const int nspin, const int istep)
template void	ModuleIO::write_wfc_nao< double > (const int out_type, const bool out_app_flag, const psi::Psi< double > &psi, const ModuleBase::matrix &ekb, const ModuleBase::matrix &wg, const std::vector< ModuleBase::Vector3< double > > &kvec_c, const std::vector< int > &ik2iktot, const int nkstot, const Parallel_Orbitals &pv, const int nspin, const int istep)
template void	ModuleIO::write_wfc_nao< std::complex< double > > (const int out_type, const bool out_app_flag, const psi::Psi< std::complex< double > > &psi, const ModuleBase::matrix &ekb, const ModuleBase::matrix &wg, const std::vector< ModuleBase::Vector3< double > > &kvec_c, const std::vector< int > &ik2iktot, const int nkstot, const Parallel_Orbitals &pv, const int nspin, const int istep)