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sc::OneBodyInt Class Reference

OneBodyInt is an abstract base class for objects that compute integrals between two basis functions. More...

#include <obint.h>

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List of all members.

Public Methods

virtual ~OneBodyInt ()
int nbasis () const
 Returns the number of basis functions on center one.

int nshell () const
 Return the number of shells on center one.

Ref< GaussianBasisSetbasis ()
 Return the basis set on center one.

const double * buffer () const
 Returns the buffer where the integrals are placed.

virtual void compute_shell (int, int)=0
 Computes the integrals between basis functions in the given shell pair.

virtual void reinitialize ()
 This is called for one body integrals that take data to let them know that the data they reference has changed.

virtual bool cloneable ()
 Return true if the clone member can be called. More...

virtual Ref< OneBodyInt > clone ()
 Returns a clone of this. More...

Integralintegral () const
int nbasis1 () const
int nbasis2 () const
int nshell1 () const
int nshell2 () const
Ref< GaussianBasisSetbasis1 ()
Ref< GaussianBasisSetbasis2 ()

Protected Methods

 OneBodyInt (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2=0)

Protected Attributes

Integralintegral_
Ref< GaussianBasisSetbs1_
Ref< GaussianBasisSetbs2_
double * buffer_

Detailed Description

OneBodyInt is an abstract base class for objects that compute integrals between two basis functions.


Member Function Documentation

virtual Ref<OneBodyInt> sc::OneBodyInt::clone   [virtual]
 

Returns a clone of this.

The default implementation throws an exception.

Reimplemented in sc::OneBodyIntCints.

virtual bool sc::OneBodyInt::cloneable   [virtual]
 

Return true if the clone member can be called.

The default implementation returns false.

Reimplemented in sc::OneBodyIntCints.


The documentation for this class was generated from the following file:
Generated at Wed Apr 28 10:14:15 2004 for MPQC 2.2.2 using the documentation package Doxygen 1.2.14.