Main Page   Class Hierarchy   Compound List   File List   Compound Members   Related Pages  

TwoBodyIntV3 Class Reference

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

#include <tbintv3.h>

Inheritance diagram for TwoBodyIntV3:

TwoBodyInt RefCount Identity List of all members.

Public Methods

 TwoBodyIntV3 (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, int storage)
 ~TwoBodyIntV3 ()
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)
 Given for shell indices, this will cause the integral buffer to be filled in.

int storage_used ()
void set_integral_storage (int 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 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 TwoBodyInt.


The documentation for this class was generated from the following file:
Generated at Sat Nov 9 12:43:54 2002 for MPQC 2.0.4 using the documentation package Doxygen 1.2.15.