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sc::OneBodyOneCenterDerivInt(3)      MPQC      sc::OneBodyOneCenterDerivInt(3)


NAME

       sc::OneBodyOneCenterDerivInt - OneBodyOneCenterDerivInt is an abstract
       base class for objects that compute one body derivative integrals on a
       single center.


SYNOPSIS

       #include <obint.h>

       Inherits sc::RefCount.

   Public Member Functions
       OneBodyOneCenterDerivInt (Integral *, const Ref< GaussianBasisSet > &b)
       int nbasis () const
           Return the number of basis functions on center one.
       int nbasis1 () const
           Return the number of basis functions on center one.
       int nshell () const
           Return the number of shells on center one.
       int nshell1 () const
           Return the number of shells on center one.
       Ref< GaussianBasisSet > basis ()
           Return the basis set on center one.
       Ref< GaussianBasisSet > basis1 ()
           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.
       virtual void compute_shell (int ish, DerivCenters &)=0
           Compute the derivative integrals and place the result in the buffer
           returned by buffer().
       virtual void compute_shell (int ish, int center)=0
           Compute the derivative integrals with respect to the given center
           and place the result in the buffer returned by buffer().

   Protected Attributes
       Integral * integral_
       Ref< GaussianBasisSet > bs1
       double * buffer_

   Additional Inherited Members

Detailed Description
       OneBodyOneCenterDerivInt is an abstract base class for objects that
       compute one body derivative integrals on a single center.

Member Function Documentation
   const double* sc::OneBodyOneCenterDerivInt::buffer () const
       The computed shell integrals will be put in the buffer returned by this
       member.

   virtual void sc::OneBodyOneCenterDerivInt::compute_shell (int ish,
       DerivCenters &) [pure virtual]
       Compute the derivative integrals and place the result in the buffer
       returned by buffer().

   virtual void sc::OneBodyOneCenterDerivInt::compute_shell (int ish, int
       center) [pure virtual]
       Compute the derivative integrals with respect to the given center and
       place the result in the buffer returned by buffer().

Author
       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                   Fri Feb 19 2016
                                               sc::OneBodyOneCenterDerivInt(3)

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