Uses of Class
ffx.numerics.multipole.CoulombTensorQI
Packages that use CoulombTensorQI
Package
Description
The Multipole package computes derivatives of 1/|r| via recursion to arbitrary order using
Cartesian multipoles in either a global frame or a quasi-internal frame.
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Uses of CoulombTensorQI in ffx.numerics.multipole
Subclasses of CoulombTensorQI in ffx.numerics.multipoleModifier and TypeClassDescriptionclass
The EwaldTensorQI class computes derivatives of erfc(r)/|r| via recursion to arbitrary order for Cartesian multipoles in a quasi-internal frame.class
The GeneralizedKirkwoodTensor class contains utilities for generated Generalized Kirkwood interaction tensors.class
The TholeTensorQI class computes derivatives of Thole damping via recursion to order <= 4 for Cartesian multipoles in a quasi-internal frame.