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.


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.


Define Documentation

#define _LEBEDEV_LAIKOV_H_   1


Typedef Documentation

typedef ergo_real real


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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