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.
  • Uses of CoulombTensorQI in ffx.numerics.multipole

    Modifier and Type
    Class
    Description
    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 TholeTensorQI class computes derivatives of Thole damping via recursion to order <= 4 for Cartesian multipoles in a quasi-internal frame.