sc::TwoBodyThreeCenterIntV3 Class Reference

This implements electron repulsion integrals involving three centers in the IntV3 library. More...

#include <tbintv3.h>

Inheritance diagram for sc::TwoBodyThreeCenterIntV3:

[legend]Collaboration diagram for sc::TwoBodyThreeCenterIntV3:

[legend]List of all members.

Public Member Functions
	TwoBodyThreeCenterIntV3 (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, size_t storage)
int	log2_shell_bound (int, int, int)
	Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_shell.
void	compute_shell (int, int, int)
	Given three shell indices, integrals will be computed and placed in the buffer.
size_t	storage_used ()
void	set_integral_storage (size_t storage)
	This storage is used to cache computed integrals.
Protected Attributes
Ref< Int2eV3 >	int2ev3_

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Detailed Description

This implements electron repulsion integrals involving three centers in the IntV3 library.

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Member Function Documentation

void sc::TwoBodyThreeCenterIntV3::compute_shell (  int  , int  , int  )  [virtual]

Given three shell indices, integrals will be computed and placed in the buffer. The first two indices correspond to electron 1 and the second index corresponds to electron 2. Implements sc::TwoBodyThreeCenterInt.

int sc::TwoBodyThreeCenterIntV3::log2_shell_bound (  int  , int  , int  )  [virtual]

Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_shell. An index of -1 for any argument indicates any shell. Implements sc::TwoBodyThreeCenterInt.

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

• tbintv3.h

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