sc_ISphericalTransformCints - Man Page

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

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Info

Thu Jan 19 2023 Version 2.3.1 MPQC