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sc::TwoBodyDerivIntCints Class Reference

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

#include <tbint.h>

Inheritance diagram for sc::TwoBodyDerivIntCints:

[legend]Collaboration diagram for sc::TwoBodyDerivIntCints:

[legend]List of all members.

Public Methods
	TwoBodyDerivIntCints (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage, tbinteval int2etype)
	~TwoBodyDerivIntCints ()
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.
size_t	used_storage () const
Protected Attributes
Ref< Int2eCints >	int2ecints_

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Detailed Description

This implements electron repulsion derivative integrals in the IntV3 library.

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Member Function Documentation

int sc::TwoBodyDerivIntCints::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:

• cints/tbint.h

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