grpp_overlap.h File Reference

#include "libgrpp_types.h"

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Functions
void	libgrpp_overlap_integrals (libgrpp_shell_t *shell_A, libgrpp_shell_t *shell_B, double *overlap_matrix)

Function Documentation

libgrpp_overlap_integrals()

void libgrpp_overlap_integrals	(	libgrpp_shell_t *	shell_A,
		libgrpp_shell_t *	shell_B,
		double *	overlap_matrix
	)

Calculates overlap integral between two shells represented by contracted Gaussian functions.

Definition at line 47 of file grpp_overlap.c.

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