sc::ISphericalTransformCints(3) | Library Functions Manual | sc::ISphericalTransformCints(3) |
sc::ISphericalTransformCints
Inherits sc::ISphericalTransform.
ISphericalTransformCints (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.
Protected Member Functions inherited from
sc::ISphericalTransform
ISphericalTransform (int l, int subl=-1)
void init ()
This determines all of the components of the transformation.
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.
Protected Attributes inherited from sc::SphericalTransform
int n_
int l_
int subl_
SphericalTransformComponent * components_
This must create SphericalTransformComponent's of the appropriate specialization.
Implements sc::SphericalTransform.
Generated automatically by Doxygen for MPQC from the source code.
Version 2.3.1 | MPQC |