deepks_vdelta.cpp File Reference

#include "source_io/module_parameter/parameter.h"
#include "deepks_vdelta.h"
#include "source_base/global_function.h"
#include "source_base/parallel_reduce.h"
#include "source_base/timer.h"
#include "source_base/tool_title.h"
#include "source_lcao/hamilt_lcao.h"

Include dependency graph for deepks_vdelta.cpp:

Functions
template void	DeePKS_domain::cal_e_delta_band< std::complex< double > > (const std::vector< std::vector< std::complex< double > > > &dm, const std::vector< std::vector< std::complex< double > > > &V_delta, const int nks, const int nspin, const Parallel_Orbitals *pv, double &e_delta_band)
template void	DeePKS_domain::collect_h_mat< double, ModuleBase::matrix > (const Parallel_Orbitals &pv, const std::vector< std::vector< double > > &h_in, std::vector< ModuleBase::matrix > &h_out, const int nlocal, const int nks)
template void	DeePKS_domain::get_h_tot< double, ModuleBase::matrix, double > (const Parallel_Orbitals &pv, hamilt::HamiltLCAO< double, double > *p_ham, std::vector< ModuleBase::matrix > &h_tot, const int nlocal, const int nks, const char matrix_type)

Function Documentation

DeePKS_domain::cal_e_delta_band< std::complex< double > >()

template void DeePKS_domain::cal_e_delta_band< std::complex< double > >	(	const std::vector< std::vector< std::complex< double > > > &	dm,
		const std::vector< std::vector< std::complex< double > > > &	V_delta,
		const int	nks,
		const int	nspin,
		const Parallel_Orbitals *	pv,
		double &	e_delta_band
	)

DeePKS_domain::collect_h_mat< double, ModuleBase::matrix >()

template void DeePKS_domain::collect_h_mat< double, ModuleBase::matrix >	(	const Parallel_Orbitals &	pv,
		const std::vector< std::vector< double > > &	h_in,
		std::vector< ModuleBase::matrix > &	h_out,
		const int	nlocal,
		const int	nks
	)

DeePKS_domain::get_h_tot< double, ModuleBase::matrix, double >()

template void DeePKS_domain::get_h_tot< double, ModuleBase::matrix, double >	(	const Parallel_Orbitals &	pv,
		hamilt::HamiltLCAO< double, double > *	p_ham,
		std::vector< ModuleBase::matrix > &	h_tot,
		const int	nlocal,
		const int	nks,
		const char	matrix_type
	)