Chgnet

<!-- Release notes generated using configuration in .github/release.yml at v0.4.0 -->

What's Changed
💥 Breaking Changes
* Change default `CHGnet.load(check_cuda_mem: bool)` to `False` by janosh in https://github.com/CederGroupHub/chgnet/pull/164
🐛 Bug Fixes
* Fix `KeyError: 'decay_fraction'` and `TypeError: Object of type int64 is not JSON serializable` by janosh in https://github.com/CederGroupHub/chgnet/pull/169
* Fix missing `create_graph.c` in source distribution by DanielYang59 in https://github.com/CederGroupHub/chgnet/pull/201
* Remove reverse readline, test again NP1 and recover NumPy 1 dependency support by DanielYang59 in https://github.com/CederGroupHub/chgnet/pull/203
🛠 Enhancements
* Add `wandb` logging support to `Trainer` class by janosh in https://github.com/CederGroupHub/chgnet/pull/166
* Add keyword `wandb_log_freq: LogFreq = LogEachBatch` to `Trainer.train()` by janosh in https://github.com/CederGroupHub/chgnet/pull/170
📖 Documentation
* Dispersion by ajhoffman1229 in https://github.com/CederGroupHub/chgnet/pull/192
🧹 Linting
* `ruff` fixes by DanielYang59 in https://github.com/CederGroupHub/chgnet/pull/184
🏷️ Static Typing
* Use return type `typing_extensions.Self` for class methods by janosh in https://github.com/CederGroupHub/chgnet/pull/179
* Create py.typed by Andrew-S-Rosen in https://github.com/CederGroupHub/chgnet/pull/189
🏥 Package Health
* Support NumPy 2 by DanielYang59 in https://github.com/CederGroupHub/chgnet/pull/202
* Drop Python 3.9 support by janosh in https://github.com/CederGroupHub/chgnet/pull/204

New Contributors
* ajhoffman1229 made their first contribution in https://github.com/CederGroupHub/chgnet/pull/192
* DanielYang59 made their first contribution in https://github.com/CederGroupHub/chgnet/pull/201

**Full Changelog**: https://github.com/CederGroupHub/chgnet/compare/v0.3.8...v0.4.0

What's Changed
🐛 Bug Fixes
* Fix release CI by janosh in https://github.com/CederGroupHub/chgnet/pull/161


**Full Changelog**: https://github.com/CederGroupHub/chgnet/compare/v0.3.7...v0.3.8

<!-- Release notes generated using configuration in .github/release.yml at v0.3.7 -->

What's Changed
📖 Documentation
* Fix `eslint` by janosh in https://github.com/CederGroupHub/chgnet/pull/151
💥 Breaking Changes
* `ruff` fixes + type annotations by janosh in https://github.com/CederGroupHub/chgnet/pull/156
🏥 Package Health
* Fix "Failed to CreateArtifact" on release by janosh in https://github.com/CederGroupHub/chgnet/pull/152
* Bump min ASE to 3.23.0 by janosh in https://github.com/CederGroupHub/chgnet/pull/159


**Full Changelog**: https://github.com/CederGroupHub/chgnet/compare/v0.3.6...v0.3.7

What's Changed

🛠 Enhancements

* Fixing VASP parsing with no MAGMOM by BowenD-UCB in https://github.com/CederGroupHub/chgnet/pull/148


🚀 Performance

* Allowing avoiding sorting cuda memory, enhancing compatibility working on HPC by BowenD-UCB in https://github.com/CederGroupHub/chgnet/commit/dd0dd076279b4c9d33b0cbddec9fd94f67ab4645


**Full Changelog**: https://github.com/CederGroupHub/chgnet/compare/v0.3.5...v0.3.6

What's Changed

🛠 Enhancements

* Add `assign_magmoms=True` keyword to `StructOptimizer.relax()` by janosh in https://github.com/CederGroupHub/chgnet/pull/124

🚀 Performance

* Use MPS backend if available and `use_device=None`, add `CHGNET_DEVICE` env var by janosh in https://github.com/CederGroupHub/chgnet/pull/131

🏥 Package Health

* Add Python 3.12 to officially supported versions and test in CI by janosh in https://github.com/CederGroupHub/chgnet/pull/139

🤷‍♂️ Other Changes

* Use new `uv` package manager to install deps in CI by janosh in https://github.com/CederGroupHub/chgnet/pull/133

**Full Changelog**: https://github.com/CederGroupHub/chgnet/compare/v0.3.4...v0.3.5

<!-- Release notes generated using configuration in .github/release.yml at v0.3.4 -->

What's Changed

🛠 Enhancements
* Better backward compatibility with `ase` versions
* Better backward compatibility with `pymatgen` versions
* Allowing `loss_ratio=0` for `Trainer`

🐛 Bug Fixes
* Add `pip install git+https://gitlab.com/ase/ase` user advice on `FrechetCellFilter` `ImportError` and allow `ase_filter` to be `str` by janosh in https://github.com/CederGroupHub/chgnet/pull/104
* Fix `solve_charge_by_mag()` using wrong key in `structure.site_properties.get('final_magmom')` by janosh in https://github.com/CederGroupHub/chgnet/pull/114
🧹 House-Keeping
* Drop `__all__` by janosh in https://github.com/CederGroupHub/chgnet/pull/106
🏥 Package Health
* Fix release CI by janosh in https://github.com/CederGroupHub/chgnet/pull/122
🤷‍♂️ Other Changes
* Add keyword `use_device` to `CHGNet.load()` by tsihyoung in https://github.com/CederGroupHub/chgnet/pull/105
* Update dynamics.py by zhongpc in https://github.com/CederGroupHub/chgnet/pull/109
* `cuda_devices_sorted_by_free_mem()` return [] if `not torch.cuda.is_available()` by janosh in https://github.com/CederGroupHub/chgnet/pull/115

New Contributors
* zhongpc made their first contribution in https://github.com/CederGroupHub/chgnet/pull/109

**Full Changelog**: https://github.com/CederGroupHub/chgnet/compare/v0.3.3...v0.3.4