ModuleGint::BigGridInfo Class Reference

This class stores some basic properties common to all big grids. More...

#include <biggrid_info.h>

Collaboration diagram for ModuleGint::BigGridInfo:

Public Member Functions
	BigGridInfo (Vec3d biggrid_vec1, Vec3d biggrid_vec2, Vec3d biggrid_vec3, int nmx, int nmy, int nmz)
	~BigGridInfo ()
Vec3d	get_cartesian_coord (const Vec3d &index_3d) const
Vec3d	get_cartesian_coord (const Vec3i &index_3d) const
Vec3d	get_direct_coord (const Vec3d &cart_coord) const
Vec3i	max_ext_bgrid_num (double r) const
int	get_nmx () const
int	get_nmy () const
int	get_nmz () const
int	get_mgrids_num () const
const std::vector< Vec3d > &	get_mgrids_coord () const
const Vec3d &	get_mgrid_coord (int index_1d) const
std::shared_ptr< const MeshGridInfo >	get_mgrid_info () const
Vec3i	mgrid_idx_1Dto3D (int index_1d) const
int	mgrid_idx_3Dto1D (const Vec3i index_3d) const

Private Attributes
Vec3d	biggrid_vec1_
Vec3d	biggrid_vec2_
Vec3d	biggrid_vec3_
Matrix3	bgrid_latvec0_
Matrix3	biggrid_GT_
std::shared_ptr< const MeshGridInfo >	meshgrid_info_
int	nmx_
int	nmy_
int	nmz_
int	nmxyz_
std::vector< Vec3d >	mgrid_coords_

Detailed Description

This class stores some basic properties common to all big grids.

Constructor & Destructor Documentation

BigGridInfo()

ModuleGint::BigGridInfo::BigGridInfo	(	Vec3d	biggrid_vec1,
		Vec3d	biggrid_vec2,
		Vec3d	biggrid_vec3,
		int	nmx,
		int	nmy,
		int	nmz
	)

Here is the call graph for this function:

~BigGridInfo()

ModuleGint::BigGridInfo::~BigGridInfo

(

)

Here is the call graph for this function:

Member Function Documentation

get_cartesian_coord() [1/2]

Vec3d ModuleGint::BigGridInfo::get_cartesian_coord ( const Vec3d &  index_3d ) const

inline

get_cartesian_coord() [2/2]

Vec3d ModuleGint::BigGridInfo::get_cartesian_coord ( const Vec3i &  index_3d ) const

inline

get_direct_coord()

Vec3d ModuleGint::BigGridInfo::get_direct_coord ( const Vec3d &  cart_coord ) const

inline

get_mgrid_coord()

const Vec3d & ModuleGint::BigGridInfo::get_mgrid_coord ( int  index_1d ) const

inline

get_mgrid_info()

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

inline

get_mgrids_coord()

const std::vector< Vec3d > & ModuleGint::BigGridInfo::get_mgrids_coord ( ) const

inline

get_mgrids_num()

int ModuleGint::BigGridInfo::get_mgrids_num ( ) const

inline

get_nmx()

int ModuleGint::BigGridInfo::get_nmx ( ) const

inline

get_nmy()

int ModuleGint::BigGridInfo::get_nmy ( ) const

inline

get_nmz()

int ModuleGint::BigGridInfo::get_nmz ( ) const

inline

max_ext_bgrid_num()

Vec3i ModuleGint::BigGridInfo::max_ext_bgrid_num

(

double

r

)

const

mgrid_idx_1Dto3D()

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

inline

Here is the call graph for this function:

Here is the caller graph for this function:

mgrid_idx_3Dto1D()

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

inline

Here is the call graph for this function:

Member Data Documentation

bgrid_latvec0_

Matrix3 ModuleGint::BigGridInfo::bgrid_latvec0_

private

biggrid_GT_

Matrix3 ModuleGint::BigGridInfo::biggrid_GT_

private

biggrid_vec1_

Vec3d ModuleGint::BigGridInfo::biggrid_vec1_

private

biggrid_vec2_

Vec3d ModuleGint::BigGridInfo::biggrid_vec2_

private

biggrid_vec3_

Vec3d ModuleGint::BigGridInfo::biggrid_vec3_

private

meshgrid_info_

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

private

mgrid_coords_

std::vector<Vec3d> ModuleGint::BigGridInfo::mgrid_coords_

private

nmx_

int ModuleGint::BigGridInfo::nmx_

private

nmxyz_

int ModuleGint::BigGridInfo::nmxyz_

private

nmy_

int ModuleGint::BigGridInfo::nmy_

private

nmz_

int ModuleGint::BigGridInfo::nmz_

private

---

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

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