grpp_potential.c File Reference

#include <math.h>
#include <stdlib.h>
#include <string.h>
#include "libgrpp.h"

Go to the source code of this file.

Macros
#define	M_PI   3.1415926535897932384626433

Functions
libgrpp_potential_t *	libgrpp_new_potential (int L, int J, int num_primitives, int *powers, double *coeffs, double *alpha)
void	libgrpp_delete_potential (libgrpp_potential_t *potential)
double	libgrpp_potential_value (libgrpp_potential_t *potential, double r)
libgrpp_potential_t *	libgrpp_shrink_potential (libgrpp_potential_t *src_potential)

Macro Definition Documentation

M_PI

#define M_PI   3.1415926535897932384626433

Definition at line 24 of file grpp_potential.c.

Function Documentation

libgrpp_new_potential()

libgrpp_potential_t * libgrpp_new_potential	(	int	L,
		int	J,
		int	num_primitives,
		int *	powers,
		double *	coeffs,
		double *	alpha
	)

constructor for the pseudopotential

Definition at line 32 of file grpp_potential.c.

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libgrpp_delete_potential()

void libgrpp_delete_potential

(

libgrpp_potential_t *

potential

)

Definition at line 63 of file grpp_potential.c.

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libgrpp_potential_value()

double libgrpp_potential_value	(	libgrpp_potential_t *	potential,
		double	r
	)

Definition at line 79 of file grpp_potential.c.

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libgrpp_shrink_potential()

libgrpp_potential_t * libgrpp_shrink_potential

(

libgrpp_potential_t *

src_potential

)

Definition at line 97 of file grpp_potential.c.

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