sc::TwoBodyIntCints Class Reference

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

#include <tbintcints.h>

Inheritance diagram for sc::TwoBodyIntCints:

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

Public Member Functions

 TwoBodyIntCints (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage, tbinteval int2etype)
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 used_storage () const
void set_integral_storage (size_t storage)
 This storage is used to cache computed integrals.
const double * buffer (tbint_type te_type) const
 The computed shell integrals will be put in the buffer returned by this member.

Protected Attributes

Ref< Int2eCintsint2ecints_

Detailed Description

This implements electron repulsion integrals in the IntCints library.


Member Function Documentation

int sc::TwoBodyIntCints::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::TwoBodyIntCints::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.

const double* sc::TwoBodyIntCints::buffer ( tbint_type  type  )  const [inline, virtual]

The computed shell integrals will be put in the buffer returned by this member.

Some TwoBodyInt specializations have more than one buffer: The type arguments selects which buffer is returned. If the requested type is not supported, then 0 is returned.

Reimplemented from sc::TwoBodyInt.


The documentation for this class was generated from the following file:
Generated at Mon Dec 3 23:23:50 2007 for MPQC 2.3.1 using the documentation package Doxygen 1.5.2.