sponge.control.get_barostat

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sponge.control.get_barostat(cls_name: Union[str, dict, Barostat], system: Molecule, pressure: float = None, **kwargs)[source]

Get object of barostat.

Parameters

  • cls_name (Union[str, dict, sponge.control.Barostat]) – Class name, arguments or object of a barostat.

  • system (sponge.system.Molecule) – Simulation system.

  • pressure (float) – Reference pressure for pressure coupling. If None is given and the type of cls_name is str, None will be returned. Default: None.

  • **kwargs – Other arguments.

Returns

sponge.control.Barostat, object of barostat.