schnetpack.atomistic ==================== .. currentmodule:: atomistic Output modules -------------- .. rubric:: Atom-wise layers .. autosummary:: :toctree: generated :nosignatures: :template: classtemplate.rst Atomwise DipoleMoment Polarizability .. rubric:: Response layers .. autosummary:: :toctree: generated :nosignatures: :template: classtemplate.rst Response Forces Strain .. rubric:: Physical prior layers .. autosummary:: :toctree: generated :nosignatures: :template: classtemplate.rst ZBLRepulsionEnergy CoulombPotential DampedCoulombPotential EnergyCoulomb EnergyEwald