lebedev_laikov.cc File Reference

Evaluate angular grid of requested order. More...

#include <cmath>
#include "lebedev_laikov.h"

Defines
#define	A   n+=ll_Oh(
#define	B   ,X+n,Y+n,Z+n,W+n);
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.
static int	ll_Oh (int n, real a, real b, real v, real *x, real *y, real *z, real *w)
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.

---

Detailed Description

Evaluate angular grid of requested order.

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.

---

Define Documentation

#define A   n+=ll_Oh(

#define B   ,X+n,Y+n,Z+n,W+n);

---

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.

static int ll_Oh	(	int	n,
		real	a,
		real	b,
		real	v,
		real *	x,
		real *	y,
		real *	z,
		real *	w
	)			[static]

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).

---