sc::TwoBodyIntCCA Class Reference

This implements two body integrals through the CCA interface. More...

#include <tbintcca.h>

Inheritance diagram for sc::TwoBodyIntCCA:

sc::TwoBodyInt sc::RefCount sc::Identity List of all members.

Public Member Functions

 TwoBodyIntCCA (Integral *, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage, IntegralEvaluatorFactory, bool, string)
int log2_shell_bound (int, 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, int)
 Given four 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.
int redundant () const
 If redundant is true, then keep redundant integrals in the buffer.
void set_redundant (int i)
 See redundant().

Protected Attributes

Ref< Int2eCCAint2ecca_

Detailed Description

This implements two body integrals through the CCA interface.


Member Function Documentation

int sc::TwoBodyIntCCA::log2_shell_bound ( int  ,
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::TwoBodyInt.

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

Given four shell indices, integrals will be computed and placed in the buffer.

The first two indices correspond to electron 1 and the second two indices correspond to electron 2.

Implements sc::TwoBodyInt.

int sc::TwoBodyIntCCA::redundant (  )  const [inline, virtual]

If redundant is true, then keep redundant integrals in the buffer.

The default is true.

Reimplemented from sc::TwoBodyInt.


The documentation for this class was generated from the following file:
Generated at Mon Dec 3 23:23:52 2007 for MPQC 2.3.1 using the documentation package Doxygen 1.5.2.