tfep.potentials.openmm.OpenMMPotentialEnergyFunc ================================================ .. currentmodule:: tfep.potentials.openmm .. autoclass:: OpenMMPotentialEnergyFunc :members: :show-inheritance: :inherited-members: Module,LightningModule .. automethod:: __init__ .. rubric:: Methods .. autosummary:: ~OpenMMPotentialEnergyFunc.__init__ ~OpenMMPotentialEnergyFunc.apply ~OpenMMPotentialEnergyFunc.backward ~OpenMMPotentialEnergyFunc.forward ~OpenMMPotentialEnergyFunc.jvp ~OpenMMPotentialEnergyFunc.mark_dirty ~OpenMMPotentialEnergyFunc.mark_non_differentiable ~OpenMMPotentialEnergyFunc.mark_shared_storage ~OpenMMPotentialEnergyFunc.maybe_clear_saved_tensors ~OpenMMPotentialEnergyFunc.name ~OpenMMPotentialEnergyFunc.register_hook ~OpenMMPotentialEnergyFunc.register_prehook ~OpenMMPotentialEnergyFunc.save_for_backward ~OpenMMPotentialEnergyFunc.save_for_forward ~OpenMMPotentialEnergyFunc.set_materialize_grads ~OpenMMPotentialEnergyFunc.setup_context ~OpenMMPotentialEnergyFunc.vjp ~OpenMMPotentialEnergyFunc.vmap .. rubric:: Attributes .. autosummary:: ~OpenMMPotentialEnergyFunc.dirty_tensors ~OpenMMPotentialEnergyFunc.generate_vmap_rule ~OpenMMPotentialEnergyFunc.materialize_grads ~OpenMMPotentialEnergyFunc.metadata ~OpenMMPotentialEnergyFunc.needs_input_grad ~OpenMMPotentialEnergyFunc.next_functions ~OpenMMPotentialEnergyFunc.non_differentiable ~OpenMMPotentialEnergyFunc.requires_grad ~OpenMMPotentialEnergyFunc.saved_for_forward ~OpenMMPotentialEnergyFunc.saved_tensors ~OpenMMPotentialEnergyFunc.saved_variables ~OpenMMPotentialEnergyFunc.to_save