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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::

TwoBodyDerivInt RefCount Identity 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< Int2eV3int2ev3_

Detailed Description

This implements electron repulsion derivative integrals in the IntV3 library.


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.


The documentation for this class was generated from the following file:
Generated at Sat Mar 2 14:29:31 2002 for MPQC 2.0.4 using the documentation package Doxygen 1.2.11.1.