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sc::TwoBodyIntCints Class Reference

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

#include <tbint.h>

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List of all members.

Public Methods

 TwoBodyIntCints (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage, tbinteval int2etype)
 ~TwoBodyIntCints ()
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.

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. More...


Protected Attributes

Ref< Int2eCintsint2ecints_

Detailed Description

This implements electron repulsion integrals in the IntCints library.


Member Function Documentation

const double* sc::TwoBodyIntCints::buffer tbint_type    te_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.

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.

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 Fri Dec 26 11:21:08 2003 for MPQC 2.2.1 using the documentation package Doxygen 1.2.14.