Potential

class atomman.lammps.Potential

Class initializer switch for PotentialLAMMPS or PotentialLAMMPSKIM objects.

Parameters

• model (str or file-like object) – A JSON/XML data model containing a potential-LAMMPS or a potential-LAMMPS-KIM branch.

• name (str, optional) – The record name to use. If not given, this will be set to the potential’s id.

• pot_dir (str, optional) – The path to a directory containing any artifacts associated with the potential. Default value is None, which assumes any required files will be in the working directory when LAMMPS is executed.

• kim_id (str, optional) – The full KIM model id indicating the version of a KIM model to use. If not given, then the newest known version will be used.

Returns

• potentials.record.PotentialLAMMPS – Returned if model contains potential-LAMMPS content.

• potentials.record.PotentialLAMMPSKIM – Returned if model contains potential-LAMMPS-KIM content.