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sc::ISphericalTransformCints(3) MPQC sc::ISphericalTransformCints(3) NAME sc::ISphericalTransformCints SYNOPSIS Inherits sc::ISphericalTransform. Public Member Functions ISphericalTransformCints (int l, int subl=-1) SphericalTransformComponent * new_components () This must create SphericalTransformComponent's of the appropriate specialization. Public Member Functions inherited from sc::SphericalTransform void add (int a, int b, int c, double coef, int pureindex) Adds another SphericalTransformComponent. int cartindex (int i) const Returns the Cartesian basis function index of component i. int pureindex (int i) const Returns the solid harmonic basis function index of component i. double coef (int i) const Returns the transform coefficient of component i. int a (int i) const Returns the Cartesian basis function's x exponent of component i. int b (int i) const Returns the Cartesian basis function's y exponent of component i. int c (int i) const Returns the Cartesian basis function's z exponent of component i. int l () const Returns the angular momentum. int n () const Returns the number of components in the transformation. virtual SphericalTransformComponent * new_components ()=0 This must create SphericalTransformComponent's of the appropriate specialization. Additional Inherited Members Protected Member Functions inherited from sc::ISphericalTransform ISphericalTransform (int l, int subl=-1) void init () This determines all of the components of the transformation. Protected Member Functions inherited from sc::SphericalTransform SphericalTransform (int l, int subl=-1) This constructs the SphericalTransform for the given Cartesian angular momentum l and solid harmonic angular momentum subl. virtual void init () This determines all of the components of the transformation. Protected Attributes inherited from sc::SphericalTransform int n_ int l_ int subl_ SphericalTransformComponent * components_ Member Function Documentation SphericalTransformComponent * sc::ISphericalTransformCints::new_components () [inline], [virtual] This must create SphericalTransformComponent's of the appropriate specialization. Implements sc::SphericalTransform. Author Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Tue May 13 2025sc::ISphericalTransformCints(3)
NAME | SYNOPSIS | Member Function Documentation | Author
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