MPQC 2.3.1

sc::SphericalTransformComponentCCA Class Reference

Inheritance diagram for sc::SphericalTransformComponentCCA:
sc::SphericalTransformComponent

List of all members.

Public Member Functions

void init (int a, int b, int c, double coef, int pureindex)
 Initialize this object.

Member Function Documentation

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().


The documentation for this class was generated from the following file:

Generated at Thu Feb 10 2011 13:17:19 for MPQC 2.3.1 using the documentation package Doxygen 1.7.3.