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