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sc::OneBodyDerivInt Class Reference

OneBodyInt is an abstract base class for objects that compute one body derivative integrals. More...

#include <obint.h>

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List of all members.

Public Methods

 OneBodyDerivInt (Integral *, const Ref< GaussianBasisSet > &b)
 OneBodyDerivInt (Integral *, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2)
virtual ~OneBodyDerivInt ()
int nbasis () const
 Return 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
 The computed shell integrals will be put in the buffer returned by this member.

int nbasis1 () const
int nbasis2 () const
int nshell1 () const
int nshell2 () const
Ref< GaussianBasisSetbasis1 ()
Ref< GaussianBasisSetbasis2 ()
virtual void compute_shell (int ish, int jsh, DerivCenters &)=0
virtual void compute_shell (int ish, int jsh, int center)=0

Protected Attributes

Integralintegral_
Ref< GaussianBasisSetbs1
Ref< GaussianBasisSetbs2
double * buffer_

Detailed Description

OneBodyInt is an abstract base class for objects that compute one body derivative integrals.


The documentation for this class was generated from the following file:
Generated at Fri Jan 10 08:15:41 2003 for MPQC 2.1.3 using the documentation package Doxygen 1.2.14.