ModuleBase::Lebedev_laikov_grid Class Reference

#include <math_lebedev_laikov.h>

Collaboration diagram for ModuleBase::Lebedev_laikov_grid:

Public Member Functions
	Lebedev_laikov_grid (int degree)
	~Lebedev_laikov_grid ()
void	generate_grid_points ()
const ModuleBase::Vector3< double > *	get_grid_coor () const
const double *	get_weight () const
void	print_grid_and_weight (std::string filename)

Public Attributes
int	degree = 6

Private Member Functions
int	getLebedevReccurencePoints (int type, int start, double a, double b, double v)

Private Attributes
std::set< int >	allowed_degree
ModuleBase::Vector3< double > *	grid_coor = nullptr
double *	weight = nullptr

Constructor & Destructor Documentation

Lebedev_laikov_grid()

ModuleBase::Lebedev_laikov_grid::Lebedev_laikov_grid

(

int

degree

)

~Lebedev_laikov_grid()

ModuleBase::Lebedev_laikov_grid::~Lebedev_laikov_grid

(

)

Member Function Documentation

generate_grid_points()

void ModuleBase::Lebedev_laikov_grid::generate_grid_points

(

)

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get_grid_coor()

const ModuleBase::Vector3< double > * ModuleBase::Lebedev_laikov_grid::get_grid_coor ( ) const

inline

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get_weight()

const double * ModuleBase::Lebedev_laikov_grid::get_weight ( ) const

inline

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getLebedevReccurencePoints()

int ModuleBase::Lebedev_laikov_grid::getLebedevReccurencePoints ( int  type, int  start, double  a, double  b, double  v  )

private

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print_grid_and_weight()

void ModuleBase::Lebedev_laikov_grid::print_grid_and_weight

(

std::string

filename

)

Member Data Documentation

allowed_degree

std::set<int> ModuleBase::Lebedev_laikov_grid::allowed_degree

private

Initial value:

= { 
        6, 14, 26, 38, 50, 74, 86, 110, 146, 170, 194, 230, 266, 
        302, 350, 434, 590, 770, 974, 1202, 1454, 1730, 2030, 
        2354, 2702, 3074, 3470, 3890, 4334, 4802, 5294, 5810
    }

degree

int ModuleBase::Lebedev_laikov_grid::degree = 6

grid_coor

ModuleBase::Vector3<double>* ModuleBase::Lebedev_laikov_grid::grid_coor = nullptr

private

weight

double* ModuleBase::Lebedev_laikov_grid::weight = nullptr

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_base/math_lebedev_laikov.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_base/math_lebedev_laikov.cpp