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sc::TwoBodyIntV3 Class Reference

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

#include <tbintv3.h>

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List of all members.

Public Member Functions

 TwoBodyIntV3 (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)
 Given for shell indices, this will cause the integral buffer to be filled in.
size_t storage_used ()
void set_integral_storage (size_t storage)
 This storage is used to cache computed integrals.

Protected Attributes

Ref< Int2eV3int2ev3_

Detailed Description

This implements electron repulsion integrals in the IntV3 library.


Member Function Documentation

int sc::TwoBodyIntV3::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::TwoBodyInt.


The documentation for this class was generated from the following file:
Generated at Sat Dec 18 15:14:49 2004 for MPQC 2.2.3 using the documentation package Doxygen 1.3.7-20040617.