NAME

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

SYNOPSIS

       #include <obint.h>

       Inherits sc::RefCount.

       Inherited by sc::DipoleIntV3, sc::EfieldDotVectorIntV3, sc::OneBodyIntCCA,
       sc::OneBodyIntCints, sc::OneBodyIntV3, and sc::PointChargeIntV3.

   Public Member Functions
       int nbasis () const
           Returns the number of basis functions on center one.
       int nbasis1 () const
           Returns the number of basis functions on the center one.
       int nbasis2 () const
           Returns the number of basis functions on the center two.
       int nshell () const
           Return the number of shells on center one.
       int nshell1 () const
           Return the number of shells on the center one.
       int nshell2 () const
           Return the number of shells on the center two.
       Ref< GaussianBasisSet > basis ()
           Return the basis set on center one.
       Ref< GaussianBasisSet > basis1 ()
           Return the basis set on the center one.
       Ref< GaussianBasisSet > basis2 ()
           Return the basis set on the center two.
       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.
       virtual Ref< OneBodyInt > clone ()
           Returns a clone of this.
       Integral * integral () const

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

   Protected Attributes
       Integral * integral_
       Ref< GaussianBasisSet > bs1_
       Ref< GaussianBasisSet > bs2_
       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::OneBodyIntV3, sc::OneBodyIntCCA, and 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::OneBodyIntV3, sc::OneBodyIntCCA, and sc::OneBodyIntCints.

Author

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