Matgl

- Improve the memory efficiency and speed of three-body interactions. (kenko911)
- FrechetCellFilter is added for variable cell relaxation in Relaxer class. (kenko911)
- Smooth l1 loss function is added for training. (kenko911)

- Move AtomRef Fitting to numpy to avoid bug (BowenD-UCB)
- NVE ensemble added (kenko911)
- Migrate from pytorch_lightning to lightning.

- Pin dependencies to support latest DGL 2.x. kenko911

- Implementation of CHGnet + pre-trained models. (BowenD-UCB)

- First 1.0.0 release to reflect the maturity of the matgl code! All changes below are the efforts of kenko911.
- Equivariant TensorNet and SO3Net are now implemented in MatGL.
- Refactoring of M3GNetCalculator and M3GNetDataset into generic PESCalculator and MGLDataset for use with all models
instead of just M3GNet.
- Training framework has been unified for all models.
- ZBL repulsive potentials has been implemented.

* Added Tensor Placement Calls For Ease of Training with PyTorch Lightning (melo-gonzo).
* Allow extraction of intermediate outputs in "embedding", "gc_1", "gc_2", "gc_3", and "readout" layers for use as
atom, bond, and structure features. (JiQi535)