grpp_angular_integrals.c File Reference

#include <math.h>
#include "grpp_angular_integrals.h"
#include "grpp_factorial.h"
#include "grpp_spherical_harmonics.h"
#include "libgrpp.h"

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Macros
#define	M_PI   3.14159265358979323846

Functions
static double	integrate_unitary_sphere_polynomial (int i, int j, int k)
double	libgrpp_angular_type1_integral (int lambda, int II, int JJ, int KK, double *k)
double	libgrpp_angular_type2_integral (const int lambda, const int L, const int m, const int a, const int b, const int c, const double *rsh_values)

Macro Definition Documentation

M_PI

#define M_PI   3.14159265358979323846

Definition at line 31 of file grpp_angular_integrals.c.

Function Documentation

integrate_unitary_sphere_polynomial()

static double integrate_unitary_sphere_polynomial ( int  i, int  j, int  k  )

static

Integral of the unitary sphere polynomial over full solid angle. (see MrMurchie & Davidson, formula (30))

Definition at line 131 of file grpp_angular_integrals.c.

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libgrpp_angular_type1_integral()

double libgrpp_angular_type1_integral	(	int	lambda,
		int	II,
		int	JJ,
		int	KK,
		double *	k
	)

Type 1 angular integral. (see MrMurchie & Davidson, formula (28))

Definition at line 45 of file grpp_angular_integrals.c.

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libgrpp_angular_type2_integral()

double libgrpp_angular_type2_integral	(	const int	lambda,
		const int	L,
		const int	m,
		const int	a,
		const int	b,
		const int	c,
		const double *	rsh_values
	)

Type 2 angular integral. (see MrMurchie & Davidson, formula (29))

Definition at line 74 of file grpp_angular_integrals.c.

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