#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. |
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 A n+=ll_Oh( |
#define B ,X+n,Y+n,Z+n,W+n); |
int ll_npoint | ( | int | lvalue | ) |
ll_npoint returns number of angular grid points for given L-angular polynomial integration accuracy.
lvalue | : grid complete through this value of angular momentum quantum number l. |
int ll_order | ( | int | npoint | ) |
ll_order returns order of the smallest angular grid that has at least that many grid points as specified.
ll_sphere fills in arrays X, Y, Z and W with the cartesian coordinates and weights of the grid points.
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. |