Uses of Class
ffx.numerics.multipole.CoulombTensorGlobal
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 CoulombTensorGlobal in ffx.numerics.multipole
Modifier and TypeClassDescriptionclass
The EwaldMultipoleTensorGlobal class computes derivatives of erfc(r)/|r| via recursion to arbitrary order for Cartesian multipoles in the global frame.class
The GeneralizedKirkwoodTensor class contains utilities for generated Generalized Kirkwood interaction tensors.class
The TholeTensorGlobal class computes derivatives of Thole damping via recursion to order <= 4 for Cartesian multipoles in either a global frame.