MPQC  2.3.1
Public Member Functions
sc::SphericalTransformComponentV3 Class Reference
Inheritance diagram for sc::SphericalTransformComponentV3:
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::SphericalTransformComponentV3::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 Sat Mar 24 2012 10:32:07 for MPQC 2.3.1 using the documentation package Doxygen 1.7.6.1.