sc::TwoBodyDerivIntV3 Class Reference

This implements electron repulsion derivative integrals in the IntV3 library. More...

#include <tbintv3.h>

Inheritance diagram for sc::TwoBodyDerivIntV3:

List of all members.

Public Member Functions
	TwoBodyDerivIntV3 (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage)
int	log2_shell_bound (int, int, int, int)
	Return log base 2 of the maximum magnitude of any integral in a shell block.
void	compute_shell (int, int, int, int, DerivCenters &)
	Given for shell indices, this will cause the integral buffer to be filled in.
size_t	storage_used ()
Protected Attributes
Ref< Int2eV3 >	int2ev3_

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Detailed Description

This implements electron repulsion derivative integrals in the IntV3 library.

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Member Function Documentation

void sc::TwoBodyDerivIntV3::compute_shell	(	int	,
		int	,
		int	,
		int	,
		DerivCenters &
	)			[virtual]

Given for shell indices, this will cause the integral buffer to be filled in.

Implements sc::TwoBodyDerivInt.

int sc::TwoBodyDerivIntV3::log2_shell_bound	(	int	,
		int	,
		int	,
		int
	)			[virtual]

Return log base 2 of the maximum magnitude of any integral in a shell block.

An index of -1 for any argument indicates any shell.

Implements sc::TwoBodyDerivInt.

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The documentation for this class was generated from the following file:

• tbintv3.h