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sc::SphericalTransformComponentV3

Author

       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                                    Sun Oct 4 2020             sc::SphericalTransformComponentV3(3)

Member Function Documentation

voidsc::SphericalTransformComponentV3::init(inta,intb,intc,doublecoef,intpureindex)[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().

Name

       sc::SphericalTransformComponentV3

Synopsis

       Inherits sc::SphericalTransformComponent.

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

   AdditionalInheritedMembers

See Also