grpp_angular_integrals.h File Reference

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

Function Documentation

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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