v2.0.2

Updated pytorch-lightning, updated Lammps interface, enhanced batchwise optimization, general small bug fixes.

What's Changed

• improved batchwise optimization by @jnsLs in #508
• num_val_workers and num_test_workers can now be set to 0 by @NiklasGebauer in #515
• adapted to new pytorch-lightning version by @jnsLs in #517
• fix per_atom_output_key usage in Atomwise by @Vosatorp in #523
• data.load_properties can now be set to an empty list by @NiklasGebauer in #524
• allow to also use higher lammps versions by @Stefaanhess in #522
• updated batchwise calculator by @jnsLs in #525

New Contributors

• @Vosatorp made their first contribution in #523

Full Changelog: v2.0.1...v2.0.2