lebedev_laikov.h File Reference

Headers of lebedev_laikov.c. More...

#include "realtype.h"

Go to the source code of this file.

Defines
#define	_LEBEDEV_LAIKOV_H_   1
Typedefs
typedef ergo_real	real
Functions
int	ll_npoint (int lvalue)
	ll_npoint returns number of angular grid points for given L-angular polynomial integration accuracy.
int	ll_order (int npoint)
	ll_order returns order of the smallest angular grid that has at least that many grid points as specified.
int	ll_sphere (int N, real *X, real *Y, real *Z, real *W)
	ll_sphere fills in arrays X, Y, Z and W with the cartesian coordinates and weights of the grid points.

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Detailed Description

Headers of lebedev_laikov.c.

Based on V.I. Lebedev, and D.N. Laikov "A quadrature formula for the sphere of the 131st algebraic order of accuracy" Doklady Mathematics, Vol. 59, No. 3, 1999, pp. 477-481.

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Define Documentation

#define _LEBEDEV_LAIKOV_H_   1

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Typedef Documentation

typedef ergo_real real

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Function Documentation

int ll_npoint

(

int

lvalue

)

ll_npoint returns number of angular grid points for given L-angular polynomial integration accuracy.

Parameters:

lvalue

: grid complete through this value of angular momentum quantum number l.

Returns:

value : number of points in sought Lebedev-Laikov grid.

int ll_order

(

int

npoint

)

ll_order returns order of the smallest angular grid that has at least that many grid points as specified.

int ll_sphere	(	int	N,
		real *	X,
		real *	Y,
		real *	Z,
		real *	W
	)

ll_sphere fills in arrays X, Y, Z and W with the cartesian coordinates and weights of the grid points.

Parameters:

	N	one of the possible values returned by ll_npoint().
	X	x cartesian coordinates of the grid points.
	Y	y cartesian coordinates of the grid points.
	Z	z cartesian coordinates of the grid points.
	W	associated weights.

Returns:

number of actually generated points (0 for unknown value of N).

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