MPQC
2.3.1
|
Public Member Functions | |
void | init (int a, int b, int c, double coef, int pureindex) |
Initialize this object. |
void sc::SphericalTransformComponentCCA::init | ( | int | a, |
int | b, | ||
int | c, | ||
double | coef, | ||
int | pureindex | ||
) | [inline, virtual] |
Initialize this object.
This must be provided in all specializations of this class to establish the ordering between a, b and c and the index of the Cartesian basis function. Other things such as adjustment of the coefficient to account for normalization differences can be done as well. The default SphericalTransform::init() implementation requires that only the xl, yl and zl basis functions are normalized to unity.
Implements sc::SphericalTransformComponent.
References sc::SphericalTransformComponent::a(), sc::SphericalTransformComponent::b(), sc::SphericalTransformComponent::c(), sc::SphericalTransformComponent::coef(), and sc::SphericalTransformComponent::pureindex().