ModuleGint::GintInfo Class Reference

#include <gint_info.h>

Collaboration diagram for ModuleGint::GintInfo:

Public Member Functions
	GintInfo (int nbx, int nby, int nbz, int nmx, int nmy, int nmz, int startidx_bx, int startidx_by, int startidx_bz, int nbx_local, int nby_local, int nbz_local, const Numerical_Orbital *Phi, const UnitCell &ucell, Grid_Driver &gd)
const std::vector< std::shared_ptr< BigGrid > > &	get_biggrids ()
const std::vector< int > &	get_trace_lo () const
int	get_lgd () const
int	get_nat () const
int	get_local_mgrid_num () const
double	get_mgrid_volume () const
template<typename T >
HContainer< T >	get_hr (int npol=1) const

Private Member Functions
void	init_atoms_ (int ntype, const Atom *atoms, const Numerical_Orbital *Phi)
void	init_trace_lo_ (const UnitCell &ucell, const int nspin)
void	init_ijr_info_ (const UnitCell &ucell, Grid_Driver &gd)

Private Attributes
const UnitCell *	ucell_
std::shared_ptr< const UnitCellInfo >	unitcell_info_
std::shared_ptr< const BigGridInfo >	biggrid_info_
std::shared_ptr< const MeshGridInfo >	meshgrid_info_
std::shared_ptr< const DivideInfo >	divide_info_
std::shared_ptr< const LocalCellInfo >	localcell_info_
std::vector< std::shared_ptr< BigGrid > >	biggrids_
std::vector< std::map< Vec3i, GintAtom > >	atoms_
std::vector< bool >	is_atom_in_proc_
std::vector< int >	ijr_info_
std::vector< int >	trace_lo_
std::vector< Numerical_Orbital >	orbs_
int	lgd_ = 0

Constructor & Destructor Documentation

GintInfo()

ModuleGint::GintInfo::GintInfo	(	int	nbx,
		int	nby,
		int	nbz,
		int	nmx,
		int	nmy,
		int	nmz,
		int	startidx_bx,
		int	startidx_by,
		int	startidx_bz,
		int	nbx_local,
		int	nby_local,
		int	nbz_local,
		const Numerical_Orbital *	Phi,
		const UnitCell &	ucell,
		Grid_Driver &	gd
	)

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Member Function Documentation

get_biggrids()

const std::vector< std::shared_ptr< BigGrid > > & ModuleGint::GintInfo::get_biggrids ( )

inline

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get_hr()

template<typename T >

template HContainer< double > ModuleGint::GintInfo::get_hr< double >

(

int

npol = 1

)

const

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get_lgd()

int ModuleGint::GintInfo::get_lgd ( ) const

inline

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get_local_mgrid_num()

int ModuleGint::GintInfo::get_local_mgrid_num ( ) const

inline

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get_mgrid_volume()

double ModuleGint::GintInfo::get_mgrid_volume ( ) const

inline

get_nat()

int ModuleGint::GintInfo::get_nat ( ) const

inline

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get_trace_lo()

const std::vector< int > & ModuleGint::GintInfo::get_trace_lo ( ) const

inline

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init_atoms_()

void ModuleGint::GintInfo::init_atoms_ ( int  ntype, const Atom *  atoms, const Numerical_Orbital *  Phi  )

private

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init_ijr_info_()

void ModuleGint::GintInfo::init_ijr_info_ ( const UnitCell &  ucell, Grid_Driver &  gd  )

private

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init_trace_lo_()

void ModuleGint::GintInfo::init_trace_lo_ ( const UnitCell &  ucell, const int  nspin  )

private

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Member Data Documentation

atoms_

std::vector<std::map<Vec3i, GintAtom> > ModuleGint::GintInfo::atoms_

private

biggrid_info_

std::shared_ptr<const BigGridInfo> ModuleGint::GintInfo::biggrid_info_

private

biggrids_

std::vector<std::shared_ptr<BigGrid> > ModuleGint::GintInfo::biggrids_

private

divide_info_

std::shared_ptr<const DivideInfo> ModuleGint::GintInfo::divide_info_

private

ijr_info_

std::vector<int> ModuleGint::GintInfo::ijr_info_

private

is_atom_in_proc_

std::vector<bool> ModuleGint::GintInfo::is_atom_in_proc_

private

lgd_

int ModuleGint::GintInfo::lgd_ = 0

private

localcell_info_

std::shared_ptr<const LocalCellInfo> ModuleGint::GintInfo::localcell_info_

private

meshgrid_info_

std::shared_ptr<const MeshGridInfo> ModuleGint::GintInfo::meshgrid_info_

private

orbs_

std::vector<Numerical_Orbital> ModuleGint::GintInfo::orbs_

private

trace_lo_

std::vector<int> ModuleGint::GintInfo::trace_lo_

private

ucell_

const UnitCell* ModuleGint::GintInfo::ucell_

private

unitcell_info_

std::shared_ptr<const UnitCellInfo> ModuleGint::GintInfo::unitcell_info_

private

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The documentation for this class was generated from the following files:

• /home/runner/work/abacus-develop/abacus-develop/source/source_lcao/module_gint/temp_gint/gint_info.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_lcao/module_gint/temp_gint/gint_info.cpp