MPQC  2.3.1
Public Member Functions | List of all members
sc::SphericalTransformComponentCints Class Reference
Inheritance diagram for sc::SphericalTransformComponentCints:
sc::SphericalTransformComponent

Public Member Functions

void init (int a, int b, int c, double coef, int pureindex)
 Initialize this object.
- Public Member Functions inherited from sc::SphericalTransformComponent
int a () const
 Returns the exponent of x.
int b () const
 Returns the exponent of y.
int c () const
 Returns the exponent of z.
int cartindex () const
 Returns the index of the Cartesian basis function.
int pureindex () const
 Returns the index solid harmonic basis function.
double coef () const
 Returns the coefficient of this component of the transformation.

Additional Inherited Members

- Protected Attributes inherited from sc::SphericalTransformComponent
double coef_
int a_
int b_
int c_
int cartindex_
int pureindex_

Member Function Documentation

void sc::SphericalTransformComponentCints::init ( int  a,
int  b,
int  c,
double  coef,
int  pureindex 
)
inlinevirtual

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 Sun Mar 16 2014 21:30:06 for MPQC 2.3.1 using the documentation package Doxygen 1.8.1.2.