Uses of Class
ffx.numerics.multipole.CoulombTensorGlobal

Packages that use 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.
  • Uses of CoulombTensorGlobal in ffx.numerics.multipole

    Modifier and Type
    Class
    Description
    class 
    The AmoebaPlusDampTensorGlobal class computes derivatives of damping via recursion to order <= 2 for Cartesian multipoles defined in AMOEBA+.
    class 
    The AmoebaPlusDampTensorGlobal class computes derivatives of overlap via recursion to order <= 6 for Cartesian multipoles defined in AMOEBA+.
    class 
    This class allows for the source terms of tensors to be combined, and therefore multiple interaction tensors can be computed simultaneously (as a sum).
    class 
    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.