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.