FreeBSD Manual Pages
sc::ISphericalTransform(3) MPQC sc::ISphericalTransform(3) NAME sc::ISphericalTransform - This describes a solid harmonic to Cartesian transform. SYNOPSIS #include <transform.h> Inherits sc::SphericalTransform. Inherited by sc::ISphericalTransformCCA, sc::ISphericalTransformCints, and sc::ISphericalTransformV3. Protected Member Functions 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. Additional Inherited Members 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. Protected Attributes inherited from sc::SphericalTransform int n_ int l_ int subl_ SphericalTransformComponent * components_ Detailed Description This describes a solid harmonic to Cartesian transform. Member Function Documentation void sc::ISphericalTransform::init () [protected], [virtual] This determines all of the components of the transformation. It should be possible to implement the SphericalTransformComponent::init specialization in such a way that the default SphericalTransform::init can be used. Reimplemented from sc::SphericalTransform. Author Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Tue May 13 2025 sc::ISphericalTransform(3)
NAME | SYNOPSIS | Detailed Description | Member Function Documentation | Author
Want to link to this manual page? Use this URL:
<https://man.freebsd.org/cgi/man.cgi?query=sc_ISphericalTransform&sektion=3&manpath=FreeBSD+Ports+14.3.quarterly>