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| ISphericalTransformLibint2 (int l, int subl=-1) |
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SphericalTransformComponent * | new_components () |
| This must create SphericalTransformComponent's of the appropriate specialization.
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void | add (int a, int b, int c, double coef, int pureindex) |
| Adds another SphericalTransformComponent.
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int | cartindex (int i) const |
| Returns the Cartesian basis function index of component i.
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int | pureindex (int i) const |
| Returns the solid harmonic basis function index of component i.
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double | coef (int i) const |
| Returns the transform coefficient of component i.
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int | a (int i) const |
| Returns the Cartesian basis function's x exponent of component i.
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int | b (int i) const |
| Returns the Cartesian basis function's y exponent of component i.
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int | c (int i) const |
| Returns the Cartesian basis function's z exponent of component i.
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int | l () const |
| Returns the angular momentum.
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int | n () const |
| Returns the number of components in the transformation.
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The documentation for this class was generated from the following file:
- src/lib/chemistry/qc/libint2/tform.h