NAME

       sc::SphericalTransformComponentCCA

SYNOPSIS

       Inherits sc::SphericalTransformComponent.

   Public Member Functions
       void init (int a, int b, int c, double coef, int pureindex)
           Initialize this object.

       Public Member Functions inherited from sc::SphericalTransformComponent
       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.

   Additional Inherited Members
       Protected Attributes inherited from sc::SphericalTransformComponent
       double coef_
       int a_
       int b_
       int c_
       int cartindex_
       int pureindex_

Member Function Documentation

   void sc::SphericalTransformComponentCCA::init (int a, int b, int c, double coef, int pureindex) [inline],
       [virtual]
       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.

       Implements sc::SphericalTransformComponent.

       References sc::SphericalTransformComponent::a(), sc::SphericalTransformComponent::b(),
       sc::SphericalTransformComponent::c(), sc::SphericalTransformComponent::coef(), and
       sc::SphericalTransformComponent::pureindex().

Author

       Generated automatically by Doxygen for MPQC from the source code.

MPQC                                              Version 2.3.1            sc::SphericalTransformComponentCCA(3)