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TwoBodyDerivIntV3 Class Reference

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

#include <tbintv3.h>

Inheritance diagram for TwoBodyDerivIntV3

[legend]Collaboration diagram for TwoBodyDerivIntV3:

[legend]List of all members.

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

int 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. Reimplemented from TwoBodyDerivInt.

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

• tbintv3.h

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