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sc::SphericalTransformComponent - This is a base class for a container for a component of a sparse

Author

       Generated automatically by Doxygen for MPQC from the source code.

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

Detailed Description

       This is a base class for a container for a component of a sparse Cartesian to solid harmonic basis
       function transformation.

Member Function Documentation

virtualvoidsc::SphericalTransformComponent::init(inta,intb,intc,doublecoef,intpureindex)[purevirtual]
       Initialize this object. This must be provided in all specializations of this class to establish the
       ordering between a, b and c and the index of the Cartesian basis function. Other things such as
       adjustment of the coefficient to account for normalization differences can be done as well. The default
       SphericalTransform::init() implementation requires that only the xl , yl  and zl  basis functions are
       normalized to unity.

       Implemented in sc::SphericalTransformComponentV3, sc::SphericalTransformComponentCints, and
       sc::SphericalTransformComponentCCA.

Name

       sc::SphericalTransformComponent - This is a base class for a container for a component of a sparse
       Cartesian to solid harmonic basis function transformation.

Synopsis

       #include <transform.h>

       Inherited by sc::SphericalTransformComponentCCA, sc::SphericalTransformComponentCints, and
       sc::SphericalTransformComponentV3.

   PublicMemberFunctions
       int a () const
           Returns the exponent of x.
       int b () const
           Returns the exponent of y.
       int c () const
           Returns the exponent of z.
       int cartindex () const
           Returns the index of the Cartesian basis function.
       int pureindex () const
           Returns the index solid harmonic basis function.
       double coef () const
           Returns the coefficient of this component of the transformation.
       virtual void init (int a, int b, int c, double coef, int pureindex)=0
           Initialize this object.

   ProtectedAttributes
       double coef_
       int a_
       int b_
       int c_
       int cartindex_
       int pureindex_

See Also