sc::SphericalTransformComponent(3) MPQC sc::SphericalTransformComponent(3) NAME sc::SphericalTransformComponent - This is a base class for a container for a component of a sparse Cartesian to solid harmonic basis function trans- formation. SYNOPSIS #include <transform.h> Inherited by sc::SphericalTransformComponentCCA, sc::SphericalTransformCom- ponentCints, and sc::SphericalTransformComponentV3. Public Member Functions 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. Protected Attributes double coef_ int a_ int b_ int c_ int cartindex_ int pureindex_ 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 virtual void sc::SphericalTransformComponent::init (int a, int b, int c, dou- ble coef, int pureindex) [pure 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 coef- ficient 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::SphericalTransformComponentCints, sc::SphericalTrans- formComponentCCA, and sc::SphericalTransformComponentV3. Author Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Thu Sep 3 202sc::SphericalTransformComponent(3)
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