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NAME

       sc::TwoBodyThreeCenterDerivInt -

       This is an abstract base type for classes that compute three centers
       integrals involving two electrons.

SYNOPSIS

       #include <tbint.h>

       Inherits sc::RefCount.

   Public Member Functions
       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 nbasis2 () const
           Return the number of basis functions on center two.
       int nbasis3 () const
           Return the number of basis functions on center three.
       int nshell () const
           Return the number of shells on center one.
       int nshell1 () const
           Return the number of shells on center one.
       int nshell2 () const
           Return the number of shells on center two.
       int nshell3 () const
           Return the number of shells on center three.
       Ref< GaussianBasisSet > basis ()
           Return the basis set on center one.
       Ref< GaussianBasisSet > basis1 ()
           Return the basis set on center one.
       Ref< GaussianBasisSet > basis2 ()
           Return the basis set on center two.
       Ref< GaussianBasisSet > basis3 ()
           Return the basis set on center three.
       const double * buffer () const
           The computed shell integrals will be put in the buffer returned by
           this member.
       virtual void compute_shell (int, int, int, DerivCenters &)=0
           Given for shell indices, this will cause the integral buffer to be
           filled in.
       virtual int log2_shell_bound (int=-1, int=-1, int=-1)=0
           Return log base 2 of the maximum magnitude of any integral in a
           shell block.

   Protected Member Functions
       TwoBodyThreeCenterDerivInt (Integral *integral, const Ref<
           GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const
           Ref< GaussianBasisSet > &b3)

   Protected Attributes
       Integral * integral_
       Ref< GaussianBasisSet > bs1_
       Ref< GaussianBasisSet > bs2_
       Ref< GaussianBasisSet > bs3_
       double * buffer_

Detailed Description

       This is an abstract base type for classes that compute three centers
       integrals involving two electrons.

Member Function Documentation

   virtual void sc::TwoBodyThreeCenterDerivInt::compute_shell (int, int, int,
       DerivCenters &) [pure virtual]
       Given for shell indices, this will cause the integral buffer to be
       filled in.

   virtual int sc::TwoBodyThreeCenterDerivInt::log2_shell_bound (int = -1, int
       = -1, int = -1) [pure virtual]
       Return log base 2 of the maximum magnitude of any integral in a shell
       block. An index of -1 for any argument indicates any shell.

Author

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