Graph-pes

Added

Allow for using arbitrary devices with `GraphPESCalculator`s.

Allow the user to configure and define custom callbacks for the trainer. Implemented `OffsetLogger` and `DumpModel`.

Added

Automatically detect validation metrics from available properties.

Changed

Improved documentation for LAMMPS integration.

Fixed a bug where stress was not converted to 3x3 from Voigt notation in some cases.