################ Stillinger-Weber ################ Use this empirical model directly via the Python API: .. code-block:: python from graph_pes.models import StillingerWeber model = StillingerWeber() model.predict_energy(graph) # or monatomic water model = StillingerWeber.monatomic_water() model.predict_energy(graph) or within a ``graph-pes-train`` configuration file to :doc:`train a new model <../../cli/graph-pes-train/root>`. .. code-block:: yaml model: +StillingerWeber: sigma: 3 Definition ---------- .. autoclass:: graph_pes.models.StillingerWeber :members: monatomic_water