sc::SphericalTransformV3 Class Reference
Inheritance diagram for sc::SphericalTransformV3:
Public Member Functions | |
| SphericalTransformV3 (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. | |
Additional Inherited Members | |
| 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... | |
| virtual void | init () |
| This determines all of the components of the transformation. More... | |
| Protected Attributes inherited from sc::SphericalTransform | |
| int | n_ |
| int | l_ |
| int | subl_ |
| SphericalTransformComponent * | components_ |
The documentation for this class was generated from the following file:
- src/lib/chemistry/qc/intv3/tformv3.h