Uses of Class
ffx.numerics.multipole.MultipoleTensorSIMD
Packages that use MultipoleTensorSIMD
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 MultipoleTensorSIMD in ffx.numerics.multipole
Subclasses of MultipoleTensorSIMD in ffx.numerics.multipoleModifier and TypeClassDescriptionclassThe CoulombTensorGlobal class computes derivatives of 1/|r| via recursion to arbitrary order for Cartesian multipoles in the global frame using SIMD instructions.classThe CoulombTensorQISIMD class computes derivatives of 1/|r| via recursion to arbitrary order for Cartesian multipoles in a quasi-internal frame using SIMD instructions.classThe EwaldMultipoleTensorGlobal class computes derivatives of erfc(r)/|r| via recursion to arbitrary order for Cartesian multipoles in the global frame.classThe EwaldTensorQI class computes derivatives of erfc(r)/|r| via recursion to arbitrary order for Cartesian multipoles in a quasi-internal frame.classThe GeneralizedKirkwoodTensor class contains utilities for generated Generalized Kirkwood interaction tensors.classThe GeneralizedKirkwoodTensor class contains utilities for generated Generalized Kirkwood interaction tensors.classThe TholeTensorGlobal class computes derivatives of Thole damping via recursion to order <= 4 for Cartesian multipoles in either a global frame.classThe TholeTensorQI class computes derivatives of Thole damping via recursion to order <= 4 for Cartesian multipoles in a quasi-internal frame.