physics

This is summary documentation for hippynn.layers.physics module. Click here for full documentation.

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Layers for physical operations

Classes

AlphaScreening(alpha)
CellScaleInducer(*args, **kwargs)
CombineEnergy()	Combines the energies (molecular and atom energies) from two different nodes, e.g. HEnergy, Coulomb, or ScreenedCoulomb Energy Nodes.
CombineScreenings(screening_list)	Returns products of different screenings for Screened Coulomb Interactions.
CoulombEnergy(energy_conversion_factor)	Computes the Coulomb Energy of the molecule/configuration.
Dipole()
EwaldRealSpaceScreening(alpha)
Gradient(sign)
LocalDampingCosine(alpha)	Local damping using complement of the hipnn cutoff function.
MultiGradient(signs)
PerAtom(*args, **kwargs)
QScreening(p_value)
Quadrupole(**kwargs)	Computes quadrupoles as a flattened (n_systems,9) array.
ScreenedCoulombEnergy(...[, radius])	Computes the Coulomb Energy of the molecule/configuration.
StressForce(*args, **kwargs)
VecMag(*args, **kwargs)
WolfScreening(alpha)