| sc::SphericalTransformComponent(3) | MPQC | sc::SphericalTransformComponent(3) |
sc::SphericalTransformComponent - This is a base class for a container for a component of a sparse Cartesian to solid harmonic basis function transformation.
#include <transform.h>
Inherited by sc::SphericalTransformComponentCCA, sc::SphericalTransformComponentCints, and sc::SphericalTransformComponentV3.
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.
double coef_
int a_
int b_
int c_
int cartindex_
int pureindex_
This is a base class for a container for a component of a sparse Cartesian to solid harmonic basis function transformation.
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.
Implemented in sc::SphericalTransformComponentV3, sc::SphericalTransformComponentCCA, and sc::SphericalTransformComponentCints.
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| Sun Oct 4 2020 | Version 2.3.1 |