cal_ldos.h File Reference

#include "source_estate/elecstate_lcao.h"
#include "source_estate/elecstate_pw.h"

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Classes
class	ModuleIO::Cal_ldos< T >

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)