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sc::OneBodyOneCenterDerivInt - OneBodyOneCenterDerivInt is an abstract base class for objects that

Author

       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                                    Sun Oct 4 2020                  sc::OneBodyOneCenterDerivInt(3)

Detailed Description

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

Member Function Documentation

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

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.

   PublicMemberFunctionsOneBodyOneCenterDerivInt (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().

   ProtectedAttributesIntegral * integral_Ref< GaussianBasisSet > bs1
       double * buffer_AdditionalInheritedMembers

See Also