ctrl_output_lcao.cpp File Reference

#include <complex>
#include "source_estate/elecstate_lcao.h"
#include "source_io/ctrl_output_lcao.h"
#include "source_lcao/hamilt_lcao.h"
#include "source_hamilt/hamilt.h"
#include "source_io/write_dos_lcao.h"
#include "source_io/write_dmr.h"
#include "source_io/io_dmk.h"
#include "source_io/write_HS.h"
#include "source_io/write_wfc_nao.h"
#include "source_io/output_mat_sparse.h"
#include "source_io/output_mulliken.h"
#include "source_lcao/module_operator_lcao/ekinetic_new.h"
#include "source_io/cal_pLpR.h"
#include "source_lcao/module_deltaspin/spin_constrain.h"
#include "source_io/berryphase.h"
#include "source_io/to_wannier90_lcao.h"
#include "source_io/to_wannier90_lcao_in_pw.h"
#include "source_lcao/module_deepks/LCAO_deepks.h"
#include "source_lcao/module_deepks/LCAO_deepks_interface.h"
#include "source_lcao/module_rdmft/rdmft.h"
#include "source_io/to_qo.h"

Include dependency graph for ctrl_output_lcao.cpp:

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

Functions
template<typename TK , typename TR >
void	ModuleIO::ctrl_output_lcao (UnitCell &ucell, K_Vectors &kv, elecstate::ElecStateLCAO< TK > *pelec, Parallel_Orbitals &pv, Grid_Driver &gd, psi::Psi< TK > *psi, hamilt::HamiltLCAO< TK, TR > *p_hamilt, TwoCenterBundle &two_center_bundle, Gint_k &gk, LCAO_Orbitals &orb, const ModulePW::PW_Basis_K *pw_wfc, const ModulePW::PW_Basis *pw_rho, Grid_Technique &gt, const ModulePW::PW_Basis_Big *pw_big, const Structure_Factor &sf, rdmft::RDMFT< TK, TR > &rdmft_solver, LCAO_Deepks< TK > &ld, const int istep)
template void	ModuleIO::ctrl_output_lcao< std::complex< double >, double > (UnitCell &ucell, K_Vectors &kv, elecstate::ElecStateLCAO< std::complex< double > > *pelec, Parallel_Orbitals &pv, Grid_Driver &gd, psi::Psi< std::complex< double > > *psi, hamilt::HamiltLCAO< std::complex< double >, double > *p_hamilt, TwoCenterBundle &two_center_bundle, Gint_k &gk, LCAO_Orbitals &orb, const ModulePW::PW_Basis_K *pw_wfc, const ModulePW::PW_Basis *pw_rho, Grid_Technique &gt, const ModulePW::PW_Basis_Big *pw_big, const Structure_Factor &sf, rdmft::RDMFT< std::complex< double >, double > &rdmft_solver, LCAO_Deepks< std::complex< double > > &ld, const int istep)

Function Documentation

ModuleIO::ctrl_output_lcao< std::complex< double >, double >()

template void ModuleIO::ctrl_output_lcao< std::complex< double >, double >	(	UnitCell &	ucell,
		K_Vectors &	kv,
		elecstate::ElecStateLCAO< std::complex< double > > *	pelec,
		Parallel_Orbitals &	pv,
		Grid_Driver &	gd,
		psi::Psi< std::complex< double > > *	psi,
		hamilt::HamiltLCAO< std::complex< double >, double > *	p_hamilt,
		TwoCenterBundle &	two_center_bundle,
		Gint_k &	gk,
		LCAO_Orbitals &	orb,
		const ModulePW::PW_Basis_K *	pw_wfc,
		const ModulePW::PW_Basis *	pw_rho,
		Grid_Technique &	gt,
		const ModulePW::PW_Basis_Big *	pw_big,
		const Structure_Factor &	sf,
		rdmft::RDMFT< std::complex< double >, double > &	rdmft_solver,
		LCAO_Deepks< std::complex< double > > &	ld,
		const int	istep
	)