#include <assert.h>
#include <math.h>
#include <string.h>
#include "grpp_angular_integrals.h"
#include "grpp_binomial.h"
#include "grpp_radial_type2_integral.h"
#include "grpp_spherical_harmonics.h"
#include "grpp_utils.h"
#include "libgrpp.h"

Macros
#define	M_PI 3.14159265358979323846

#define	LMAX (2 * LIBGRPP_MAX_BASIS_L + LIBGRPP_MAX_RPP_L)

Functions
static double	type2_angular_sum (int L, int lambda_1, int a, int b, int c, int lambda_2, int d, int e, int f, double rsh_values_kA, double rsh_values_kB)

void	libgrpp_type2_integrals (libgrpp_shell_t shell_A, libgrpp_shell_t shell_B, double rpp_origin, libgrpp_potential_t potential, double *matrix)

Macro Definition Documentation

◆ M_PI

#define M_PI 3.14159265358979323846

Definition at line 19 of file grpp_type2_integrals.c.

◆ LMAX

#define LMAX (2 * LIBGRPP_MAX_BASIS_L + LIBGRPP_MAX_RPP_L)

Definition at line 29 of file grpp_type2_integrals.c.

Function Documentation

◆ type2_angular_sum()

static double type2_angular_sum	(	int	L,
		int	lambda_1,
		int	a,
		int	b,
		int	c,
		int	lambda_2,
		int	d,
		int	e,
		int	f,
		double *	rsh_values_kA,
		double *	rsh_values_kB
	)

static

Definition at line 223 of file grpp_type2_integrals.c.

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◆ libgrpp_type2_integrals()

void libgrpp_type2_integrals	(	libgrpp_shell_t *	shell_A,
		libgrpp_shell_t *	shell_B,
		double *	rpp_origin,
		libgrpp_potential_t *	potential,
		double *	matrix
	)

Evaluation of type 2 RPP integrals (scalar-relativistic semilocal RPP with L-projectors).

Definition at line 39 of file grpp_type2_integrals.c.