cal_ldos.cpp File Reference

#include "cal_ldos.h"
#include "cal_dos.h"
#include "cube_io.h"
#include "source_estate/module_dm/cal_dm_psi.h"
#include "source_lcao/module_gint/temp_gint/gint_interface.h"
#include <type_traits>

Include dependency graph for cal_ldos.cpp:

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

Functions
void	ModuleIO::cal_ldos_pw (const elecstate::ElecStatePW< std::complex< double > > *pelec, const psi::Psi< std::complex< double > > &psi, const Parallel_Grid &pgrid, const UnitCell &ucell)
void	ModuleIO::stm_mode_pw (const elecstate::ElecStatePW< std::complex< double > > *pelec, const psi::Psi< std::complex< double > > &psi, const Parallel_Grid &pgrid, const UnitCell &ucell)
void	ModuleIO::ldos_mode_pw (const elecstate::ElecStatePW< std::complex< double > > *pelec, const psi::Psi< std::complex< double > > &psi, const Parallel_Grid &pgrid, const UnitCell &ucell)
void	ModuleIO::get_grid_points (const std::vector< double > &start, const std::vector< double > &end, const int &npoints, const int &nx, const int &ny, const int &nz, std::vector< std::vector< int > > &points, std::vector< std::vector< double > > &shifts)
void	ModuleIO::trilinear_interpolate (const std::vector< std::vector< int > > &points, const std::vector< std::vector< double > > &shifts, const Parallel_Grid &pgrid, const std::vector< double > &data, std::vector< double > &results)