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sc::SphericalTr...mComponentCints(3) MPQC sc::SphericalTr...mComponentCints(3) NAME sc::SphericalTransformComponentCints 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. virtual void init (int a, int b, int c, double coef, int pureindex)=0 Initialize this object. 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::SphericalTransformComponentCints::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. Version 2.3.1 Tue May 13sc::SphericalTr...mComponentCints(3)
NAME | SYNOPSIS | Member Function Documentation | Author
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