NAME

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

SYNOPSIS

       #include <obint.h>

       Inherits sc::RefCount.

       Inherited by sc::OneBodyOneCenterWrapper.

   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 nshell () const
           Return the number of shells on center one.
       int nshell1 () const
           Return the number of shells on the center one.
       Ref< GaussianBasisSet > basis ()
           Return the basis set on center one.
       Ref< GaussianBasisSet > basis1 ()
           Return the basis set on the center one.
       const double * buffer () const
           Returns the buffer where the integrals are placed.
       virtual void compute_shell (int)=0
           Computes the integrals for basis functions on the given shell.
       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< OneBodyOneCenterInt > clone ()
           Returns a clone of this.
       Integral * integral () const

   Protected Member Functions
       OneBodyOneCenterInt (Integral *integral, const Ref< GaussianBasisSet > &b1)

   Protected Attributes
       Integral * integral_
       Ref< GaussianBasisSet > bs1_
       double * buffer_

Detailed Description

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

Member Function Documentation

   virtual Ref<OneBodyOneCenterInt> sc::OneBodyOneCenterInt::clone () [virtual]
       Returns a clone of this. The default implementation throws an exception.

   virtual bool sc::OneBodyOneCenterInt::cloneable () [virtual]
       Return true if the clone member can be called. The default implementation returns false.

Author

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