boxcap.h File Reference

#include <vector>
#include "Shell.h"

Go to the source code of this file.

Functions
double	boxcap (gto gto1, gto gto2, double boxlength[3], int normalized=0, int verbose=0)
double	integrate_box_cap (Shell shell1, Shell shell2, std::array< size_t, 3 > l1, std::array< size_t, 3 > l2, double boxlength[3], double thresh)

Function Documentation

boxcap()

double boxcap	(	gto	gto1,
		gto	gto2,
		double	boxlength[3],
		int	normalized = 0,
		int	verbose = 0
	)

integrate_box_cap()

double integrate_box_cap	(	Shell	shell1,
		Shell	shell2,
		std::array< size_t, 3 >	l1,
		std::array< size_t, 3 >	l2,
		double	boxlength[3],
		double	thresh
	)