ModuleGint::UnitCellInfo Class Reference

#include <unitcell_info.h>

Collaboration diagram for ModuleGint::UnitCellInfo:

Public Member Functions
	UnitCellInfo (const Vec3d &unitcell_vec1, const Vec3d &unitcell_vec2, const Vec3d &unitcell_vec3, int nbx, int nby, int nbz, int nmx, int nmy, int nmz)
int	get_nbx () const
int	get_nby () const
int	get_nbz () const
int	get_bgrids_num () const
int	get_nmx () const
int	get_nmy () const
int	get_nmz () const
int	get_mgrids_num () const
std::shared_ptr< const BigGridInfo >	get_bgrid_info () const
std::shared_ptr< const MeshGridInfo >	get_mgrid_info () const
Vec3i	bgrid_idx_1Dto3D (const int index_1d) const
int	bgrid_idx_3Dto1D (const Vec3i index_3d) const
Vec3d	get_bgrid_coord (Vec3i index_3d) const
Vec3d	get_bgrid_coord (int index_1d) const
Vec3i	get_bgrid_idx_3d (const Vec3d coord) const
Vec3d	get_relative_coord (Vec3i index_3d_a, Vec3i index_3d_b) const
Vec3i	get_unitcell_idx (const Vec3i index_3d) const
Vec3i	map_ext_idx_to_ucell (const Vec3i index_3d) const
Vec3i	mgrid_idx_1Dto3D (const int index_1d) const
int	mgrid_idx_3Dto1D (const Vec3i index_3d) const
Vec3d	get_mgrid_coord (Vec3i index_3d) const
Vec3d	get_mgrid_coord (int index_1d) const

Private Attributes
Vec3d	unitcell_vec1_
Vec3d	unitcell_vec2_
Vec3d	unitcell_vec3_
int	nbx_
int	nby_
int	nbz_
int	nbxyz_
std::shared_ptr< const BigGridInfo >	biggrid_info_
std::shared_ptr< const MeshGridInfo >	meshgrid_info_
int	nmx_
int	nmy_
int	nmz_
int	nmxyz_

Constructor & Destructor Documentation

UnitCellInfo()

ModuleGint::UnitCellInfo::UnitCellInfo	(	const Vec3d &	unitcell_vec1,
		const Vec3d &	unitcell_vec2,
		const Vec3d &	unitcell_vec3,
		int	nbx,
		int	nby,
		int	nbz,
		int	nmx,
		int	nmy,
		int	nmz
	)

Member Function Documentation

bgrid_idx_1Dto3D()

Vec3i ModuleGint::UnitCellInfo::bgrid_idx_1Dto3D ( const int  index_1d ) const

inline

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bgrid_idx_3Dto1D()

int ModuleGint::UnitCellInfo::bgrid_idx_3Dto1D ( const Vec3i  index_3d ) const

inline

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get_bgrid_coord() [1/2]

Vec3d ModuleGint::UnitCellInfo::get_bgrid_coord ( int  index_1d ) const

inline

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get_bgrid_coord() [2/2]

Vec3d ModuleGint::UnitCellInfo::get_bgrid_coord ( Vec3i  index_3d ) const

inline

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get_bgrid_idx_3d()

Vec3i ModuleGint::UnitCellInfo::get_bgrid_idx_3d ( const Vec3d  coord ) const

inline

get_bgrid_info()

std::shared_ptr< const BigGridInfo > ModuleGint::UnitCellInfo::get_bgrid_info ( ) const

inline

get_bgrids_num()

int ModuleGint::UnitCellInfo::get_bgrids_num ( ) const

inline

get_mgrid_coord() [1/2]

Vec3d ModuleGint::UnitCellInfo::get_mgrid_coord ( int  index_1d ) const

inline

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get_mgrid_coord() [2/2]

Vec3d ModuleGint::UnitCellInfo::get_mgrid_coord ( Vec3i  index_3d ) const

inline

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get_mgrid_info()

std::shared_ptr< const MeshGridInfo > ModuleGint::UnitCellInfo::get_mgrid_info ( ) const

inline

get_mgrids_num()

int ModuleGint::UnitCellInfo::get_mgrids_num ( ) const

inline

get_nbx()

int ModuleGint::UnitCellInfo::get_nbx ( ) const

inline

get_nby()

int ModuleGint::UnitCellInfo::get_nby ( ) const

inline

get_nbz()

int ModuleGint::UnitCellInfo::get_nbz ( ) const

inline

get_nmx()

int ModuleGint::UnitCellInfo::get_nmx ( ) const

inline

get_nmy()

int ModuleGint::UnitCellInfo::get_nmy ( ) const

inline

get_nmz()

int ModuleGint::UnitCellInfo::get_nmz ( ) const

inline

get_relative_coord()

Vec3d ModuleGint::UnitCellInfo::get_relative_coord ( Vec3i  index_3d_a, Vec3i  index_3d_b  ) const

inline

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get_unitcell_idx()

Vec3i ModuleGint::UnitCellInfo::get_unitcell_idx ( const Vec3i  index_3d ) const

inline

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map_ext_idx_to_ucell()

Vec3i ModuleGint::UnitCellInfo::map_ext_idx_to_ucell ( const Vec3i  index_3d ) const

inline

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mgrid_idx_1Dto3D()

Vec3i ModuleGint::UnitCellInfo::mgrid_idx_1Dto3D ( const int  index_1d ) const

inline

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mgrid_idx_3Dto1D()

int ModuleGint::UnitCellInfo::mgrid_idx_3Dto1D ( const Vec3i  index_3d ) const

inline

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Member Data Documentation

biggrid_info_

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

private

meshgrid_info_

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

private

nbx_

int ModuleGint::UnitCellInfo::nbx_

private

nbxyz_

int ModuleGint::UnitCellInfo::nbxyz_

private

nby_

int ModuleGint::UnitCellInfo::nby_

private

nbz_

int ModuleGint::UnitCellInfo::nbz_

private

nmx_

int ModuleGint::UnitCellInfo::nmx_

private

nmxyz_

int ModuleGint::UnitCellInfo::nmxyz_

private

nmy_

int ModuleGint::UnitCellInfo::nmy_

private

nmz_

int ModuleGint::UnitCellInfo::nmz_

private

unitcell_vec1_

Vec3d ModuleGint::UnitCellInfo::unitcell_vec1_

private

unitcell_vec2_

Vec3d ModuleGint::UnitCellInfo::unitcell_vec2_

private

unitcell_vec3_

Vec3d ModuleGint::UnitCellInfo::unitcell_vec3_

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