LCAO_set.cpp File Reference

#include "source_lcao/LCAO_set.h"
#include "source_io/module_parameter/parameter.h"
#include "source_psi/setup_psi.h"
#include "source_io/module_wf/read_wfc_nao.h"
#include "source_estate/elecstate_tools.h"
#include "source_lcao/module_hcontainer/read_hcontainer.h"
#include "source_lcao/rho_tau_lcao.h"
#include "source_lcao/hamilt_lcao.h"
#include "source_hsolver/hsolver_lcao.h"

Include dependency graph for LCAO_set.cpp:

Functions
template void	LCAO_domain::set_psi_occ_dm_chg< std::complex< double > > (const K_Vectors &kv, psi::Psi< std::complex< double > > *&psi, const Parallel_Orbitals &pv, elecstate::ElecState *pelec, LCAO_domain::Setup_DM< std::complex< double > > &dmat, Charge &chr, const Input_para &inp)
template void	LCAO_domain::set_pot< std::complex< double > > (UnitCell &ucell, K_Vectors &kv, Structure_Factor &sf, const ModulePW::PW_Basis &pw_rho, const ModulePW::PW_Basis &pw_rhod, elecstate::ElecState *pelec, const LCAO_Orbitals &orb, Parallel_Orbitals &pv, pseudopot_cell_vl &locpp, Plus_U &dftu, surchem &solvent, Exx_NAO< std::complex< double > > &exx_nao, Setup_DeePKS< std::complex< double > > &deepks, const Input_para &inp)
template void	LCAO_domain::init_dm_from_file< std::complex< double > > (const std::string &readin_dir, const int nspin, LCAO_domain::Setup_DM< std::complex< double > > &dmat, const UnitCell &ucell, const Parallel_Orbitals *pv)
template void	LCAO_domain::init_chg_dm< std::complex< double > > (const std::string &readin_dir, const int nspin, LCAO_domain::Setup_DM< std::complex< double > > &dmat, const UnitCell &ucell, const Parallel_Orbitals *pv, Charge *chr)
template void	LCAO_domain::init_hr_from_file< std::complex< double > > (const std::string hrfile, hamilt::HContainer< std::complex< double > > *hmat, const UnitCell &ucell, const Parallel_Orbitals *pv)
template void	LCAO_domain::init_chg_hr< std::complex< double >, double > (const std::string &readin_dir, const int nspin, hamilt::Hamilt< std::complex< double > > *p_hamilt, const UnitCell &ucell, const Parallel_Orbitals *pv, psi::Psi< std::complex< double > > &psi, elecstate::ElecState *pelec, elecstate::DensityMatrix< std::complex< double >, double > &dm, Charge &chr, const std::string &ks_solver)

Function Documentation

LCAO_domain::init_chg_dm< std::complex< double > >()

template void LCAO_domain::init_chg_dm< std::complex< double > >	(	const std::string &	readin_dir,
		const int	nspin,
		LCAO_domain::Setup_DM< std::complex< double > > &	dmat,
		const UnitCell &	ucell,
		const Parallel_Orbitals *	pv,
		Charge *	chr
	)

LCAO_domain::init_chg_hr< std::complex< double >, double >()

template void LCAO_domain::init_chg_hr< std::complex< double >, double >	(	const std::string &	readin_dir,
		const int	nspin,
		hamilt::Hamilt< std::complex< double > > *	p_hamilt,
		const UnitCell &	ucell,
		const Parallel_Orbitals *	pv,
		psi::Psi< std::complex< double > > &	psi,
		elecstate::ElecState *	pelec,
		elecstate::DensityMatrix< std::complex< double >, double > &	dm,
		Charge &	chr,
		const std::string &	ks_solver
	)

LCAO_domain::init_dm_from_file< std::complex< double > >()

template void LCAO_domain::init_dm_from_file< std::complex< double > >	(	const std::string &	readin_dir,
		const int	nspin,
		LCAO_domain::Setup_DM< std::complex< double > > &	dmat,
		const UnitCell &	ucell,
		const Parallel_Orbitals *	pv
	)

LCAO_domain::init_hr_from_file< std::complex< double > >()

template void LCAO_domain::init_hr_from_file< std::complex< double > >	(	const std::string	hrfile,
		hamilt::HContainer< std::complex< double > > *	hmat,
		const UnitCell &	ucell,
		const Parallel_Orbitals *	pv
	)

LCAO_domain::set_pot< std::complex< double > >()

template void LCAO_domain::set_pot< std::complex< double > >	(	UnitCell &	ucell,
		K_Vectors &	kv,
		Structure_Factor &	sf,
		const ModulePW::PW_Basis &	pw_rho,
		const ModulePW::PW_Basis &	pw_rhod,
		elecstate::ElecState *	pelec,
		const LCAO_Orbitals &	orb,
		Parallel_Orbitals &	pv,
		pseudopot_cell_vl &	locpp,
		Plus_U &	dftu,
		surchem &	solvent,
		Exx_NAO< std::complex< double > > &	exx_nao,
		Setup_DeePKS< std::complex< double > > &	deepks,
		const Input_para &	inp
	)

LCAO_domain::set_psi_occ_dm_chg< std::complex< double > >()

template void LCAO_domain::set_psi_occ_dm_chg< std::complex< double > >	(	const K_Vectors &	kv,
		psi::Psi< std::complex< double > > *&	psi,
		const Parallel_Orbitals &	pv,
		elecstate::ElecState *	pelec,
		LCAO_domain::Setup_DM< std::complex< double > > &	dmat,
		Charge &	chr,
		const Input_para &	inp
	)