Psi4
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#include <integral.h>
Public Member Functions | |
SphericalTransform (int l, int subl=-1) | |
virtual | ~SphericalTransform () |
int | cartindex (int i) const |
Returns the Cartesian basis function index of component i. More... | |
int | pureindex (int i) const |
Returns the spherical harmonic basis index of component i. More... | |
double | coef (int i) const |
Returns the transformation coefficient of component i. More... | |
int | a (int i) const |
Returns the Cartesian basis function's x exponent of component i. More... | |
int | b (int i) const |
Returns the Cartesian basis function's y exponent of component i. More... | |
int | c (int i) const |
Returns the Cartesian basis function's z exponent of component i. More... | |
int | n () const |
Returns the number of components in the transformation. More... | |
int | l () const |
Returns the angular momentum. More... | |
Protected Member Functions | |
SphericalTransform () | |
virtual void | init () |
Protected Attributes | |
std::vector < SphericalTransformComponent > | components_ |
int | l_ |
int | subl_ |
This is a base class for a container for a sparse Cartesian to solid harmonic basis function transformation.
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SphericalTransform::SphericalTransform | ( | int | l, |
int | subl = -1 |
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Returns the Cartesian basis function's x exponent of component i.
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Returns the Cartesian basis function's y exponent of component i.
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Returns the Cartesian basis function's z exponent of component i.
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Returns the Cartesian basis function index of component i.
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Returns the transformation coefficient of component i.
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protectedvirtual |
Reimplemented in psi::ISphericalTransform.
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Returns the angular momentum.
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Returns the number of components in the transformation.
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Returns the spherical harmonic basis index of component i.
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