Grid Class Reference

#include <sltk_grid.h>

Inheritance diagram for Grid:

Collaboration diagram for Grid:

Public Member Functions
	Grid ()
	Grid (const int &test_grid_in)
virtual	~Grid ()
Grid &	operator= (Grid &&)=default
void	init (std::ofstream &ofs, const UnitCell &ucell, const double radius_in, const bool boundary=true)
void	getBox (int &bx, int &by, int &bz, const double &x, const double &y, const double &z)
void	clear_atoms ()
void	clear_adj_info ()
int	getGlayerX () const
int	getGlayerY () const
int	getGlayerZ () const
int	getGlayerX_minus () const
int	getGlayerY_minus () const
int	getGlayerZ_minus () const

Public Attributes
bool	pbc =false
double	sradius2 =0.0
double	sradius =0.0
double	x_min =0.0
double	y_min =0.0
double	z_min =0.0
double	x_max =0.0
double	y_max =0.0
double	z_max =0.0
double	box_edge_length =0.0
int	box_nx =0
int	box_ny =0
int	box_nz =0
std::vector< std::vector< std::vector< AtomMap > > >	atoms_in_box
std::vector< std::vector< std::vector< FAtom * > > >	all_adj_info

Private Member Functions
void	setMemberVariables (std::ofstream &ofs_in, const UnitCell &ucell)
void	Construct_Adjacent (const UnitCell &ucell)
void	Construct_Adjacent_near_box (const FAtom &fatom)
void	Construct_Adjacent_final (const FAtom &fatom1, FAtom *fatom2)
void	Check_Expand_Condition (const UnitCell &ucell)

Private Attributes
int	test_grid
int	glayerX =0
int	glayerX_minus =0
int	glayerY =0
int	glayerY_minus =0
int	glayerZ =0
int	glayerZ_minus =0

Constructor & Destructor Documentation

Grid() [1/2]

Grid::Grid ( )

inline

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Grid() [2/2]

Grid::Grid

(

const int &

test_grid_in

)

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~Grid()

Grid::~Grid ( )

virtual

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Member Function Documentation

Check_Expand_Condition()

void Grid::Check_Expand_Condition ( const UnitCell &  ucell )

private

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clear_adj_info()

void Grid::clear_adj_info ( )

inline

clear_atoms()

void Grid::clear_atoms ( )

inline

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Construct_Adjacent()

void Grid::Construct_Adjacent ( const UnitCell &  ucell )

private

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Construct_Adjacent_final()

void Grid::Construct_Adjacent_final ( const FAtom &  fatom1, FAtom *  fatom2  )

private

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Construct_Adjacent_near_box()

void Grid::Construct_Adjacent_near_box ( const FAtom &  fatom )

private

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getBox()

void Grid::getBox ( int &  bx, int &  by, int &  bz, const double &  x, const double &  y, const double &  z  )

inline

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getGlayerX()

int Grid::getGlayerX ( ) const

inline

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getGlayerX_minus()

int Grid::getGlayerX_minus ( ) const

inline

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getGlayerY()

int Grid::getGlayerY ( ) const

inline

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getGlayerY_minus()

int Grid::getGlayerY_minus ( ) const

inline

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getGlayerZ()

int Grid::getGlayerZ ( ) const

inline

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getGlayerZ_minus()

int Grid::getGlayerZ_minus ( ) const

inline

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init()

void Grid::init	(	std::ofstream &	ofs,
		const UnitCell &	ucell,
		const double	radius_in,
		const bool	boundary = true
	)

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operator=()

Grid & Grid::operator= ( Grid &&  )

default

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setMemberVariables()

void Grid::setMemberVariables ( std::ofstream &  ofs_in, const UnitCell &  ucell  )

private

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Member Data Documentation

all_adj_info

std::vector<std::vector< std::vector<FAtom *> > > Grid::all_adj_info

atoms_in_box

std::vector<std::vector<std::vector<AtomMap> > > Grid::atoms_in_box

box_edge_length

double Grid::box_edge_length =0.0

box_nx

int Grid::box_nx =0

box_ny

int Grid::box_ny =0

box_nz

int Grid::box_nz =0

glayerX

int Grid::glayerX =0

private

glayerX_minus

int Grid::glayerX_minus =0

private

glayerY

int Grid::glayerY =0

private

glayerY_minus

int Grid::glayerY_minus =0

private

glayerZ

int Grid::glayerZ =0

private

glayerZ_minus

int Grid::glayerZ_minus =0

private

pbc

bool Grid::pbc =false

sradius

double Grid::sradius =0.0

sradius2

double Grid::sradius2 =0.0

test_grid

int Grid::test_grid

private

x_max

double Grid::x_max =0.0

x_min

double Grid::x_min =0.0

y_max

double Grid::y_max =0.0

y_min

double Grid::y_min =0.0

z_max

double Grid::z_max =0.0

z_min

double Grid::z_min =0.0

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_cell/module_neighbor/sltk_grid.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_cell/module_neighbor/sltk_grid.cpp
• /home/runner/work/abacus-develop/abacus-develop/source/source_estate/module_dm/test/test_dm_io.cpp
• /home/runner/work/abacus-develop/abacus-develop/source/source_estate/module_dm/test/tmp_mocks.cpp
• /home/runner/work/abacus-develop/abacus-develop/source/source_lcao/module_operator_lcao/test/tmp_mocks.cpp