Uses of Class
ffx.numerics.multipole.MultipoleTensor

Packages that use MultipoleTensor
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 MultipoleTensor in ffx.numerics.multipole

    Modifier and Type
    Class
    Description
    class 
    The CoulombTensorGlobal class computes derivatives of 1/|r| via recursion to arbitrary order for Cartesian multipoles in the global frame.
    class 
    The CoulombTensorQI class computes derivatives of 1/|r| via recursion to arbitrary order for Cartesian multipoles in a quasi-internal frame.
    class 
    The EwaldMultipoleTensorGlobal class computes derivatives of erfc(r)/|r| via recursion to arbitrary order for Cartesian multipoles in the global frame.
    class 
    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 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.
    class 
    The TholeTensorQI class computes derivatives of Thole damping via recursion to order <= 4 for Cartesian multipoles in a quasi-internal frame.