MPQC
2.3.1
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This describes a solid harmonic to Cartesian transform. More...
#include <transform.h>
Protected Member Functions | |
ISphericalTransform (int l, int subl=-1) | |
void | init () |
This determines all of the components of the transformation. More... | |
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. More... | |
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_ |
This describes a solid harmonic to Cartesian transform.
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protectedvirtual |
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.