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

sc::TwoBodyDerivIntCints Class Reference

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

#include <tbint.h>

Inheritance diagram for sc::TwoBodyDerivIntCints:

Inheritance graph
[legend]
Collaboration diagram for sc::TwoBodyDerivIntCints:

Collaboration graph
[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< Int2eCintsint2ecints_

Detailed Description

This implements electron repulsion derivative integrals in the IntV3 library.


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.


The documentation for this class was generated from the following file:
Generated at Fri Dec 26 11:21:06 2003 for MPQC 2.2.1 using the documentation package Doxygen 1.2.14.