🎉 New Features
* Add `pymatgen.io.openff` module by orionarcher in https://github.com/materialsproject/pymatgen/pull/3729
🐛 Bug Fixes
* Fix blank line bug in `io.res.ResWriter` by stefsmeets in https://github.com/materialsproject/pymatgen/pull/3671
* Reset label for sites changed by `Structure.replace_species()` by stefsmeets in https://github.com/materialsproject/pymatgen/pull/3672
* Fix `phonopy.get_pmg_structure` `site_properties` key for magmoms by JonathanSchmidt1 in https://github.com/materialsproject/pymatgen/pull/3679
* Improve Bandoverlaps parser by naik-aakash in https://github.com/materialsproject/pymatgen/pull/3689
* Convert some `staticmethod` to `classmethod` by DanielYang59 in https://github.com/materialsproject/pymatgen/pull/3710
* Correct units of Element.atomic_orbitals by esoteric-ephemera in https://github.com/materialsproject/pymatgen/pull/3714
* Add a fix for if a parameter is None in AimsControlIn by tpurcell90 in https://github.com/materialsproject/pymatgen/pull/3727
* Replace general `raise Exception` and add missing `raise` keyword by DanielYang59 in https://github.com/materialsproject/pymatgen/pull/3728
* Fix `ChemicalPotentialDiagram` 2D plot not respecting `formal_chempots` setting by uliaschauer in https://github.com/materialsproject/pymatgen/pull/3734
* Update ENCUT type to float in incar_parameters.json by yuuukuma in https://github.com/materialsproject/pymatgen/pull/3741
* Clean up `core.surface` comments and docstrings by DanielYang59 in https://github.com/materialsproject/pymatgen/pull/3691
* Fix `io.cp2k.input.DataFile` by DanielYang59 in https://github.com/materialsproject/pymatgen/pull/3745
🛠 Enhancements
* Ensure `MSONAtoms` is indeed `MSONable` when `Atoms.info` is loaded with goodies by Andrew-S-Rosen in https://github.com/materialsproject/pymatgen/pull/3670
* Generalize fatband plots from Lobster by JaGeo in https://github.com/materialsproject/pymatgen/pull/3688
* Plotting of Multicenter COBIs by JaGeo in https://github.com/materialsproject/pymatgen/pull/2926
* Support appending vectors to positions in XSF format by mturiansky in https://github.com/materialsproject/pymatgen/pull/3704
* Define `needs_u_correction(comp: CompositionLike) -> set[str]` utility function by janosh in https://github.com/materialsproject/pymatgen/pull/3703
* Add more flexibility to `PhononDOSPlotter` and `PhononBSPlotter` by ab5424 in https://github.com/materialsproject/pymatgen/pull/3700
* Define `ElementType` enum in `core/periodic_table.py` by janosh in https://github.com/materialsproject/pymatgen/pull/3726
🚧 CI
* Migrate CI dependency installation from `pip` to `uv` by janosh in https://github.com/materialsproject/pymatgen/pull/3675
* Prevent GitHub Actions from running docs-related CI on forks by lan496 in https://github.com/materialsproject/pymatgen/pull/3697
📖 Documentation
* Reformat docstrings to Google style and add type annotations by DanielYang59 in https://github.com/materialsproject/pymatgen/pull/3694
* Breaking: all plot methods return `plt.Axes` by janosh in https://github.com/materialsproject/pymatgen/pull/3749
🧹 House-Keeping
* Clean up test files: VASP outputs by DanielYang59 in https://github.com/materialsproject/pymatgen/pull/3653
* Clean up test files: VASP inputs by DanielYang59 in https://github.com/materialsproject/pymatgen/pull/3674
* Clean up test files: dedicated VASP directories, `xyz`, `mcif`, `cssr`, `exciting`, `wannier90` by DanielYang59 in https://github.com/materialsproject/pymatgen/pull/3681
* Remove exception printing when importing phonopy by lan496 in https://github.com/materialsproject/pymatgen/pull/3696
* Standardize test names: e.g. `LatticeTestCase` -> `TestLattice` by janosh in https://github.com/materialsproject/pymatgen/pull/3693
* Clean up tests by janosh in https://github.com/materialsproject/pymatgen/pull/3713
* Fix import order for `if TYPE_CHECKING:` block by DanielYang59 in https://github.com/materialsproject/pymatgen/pull/3711
* Use `Self` type in Method Signatures by DanielYang59 in https://github.com/materialsproject/pymatgen/pull/3705
* Remove deprecated `analysis.interface`, rename classes to PascalCase and rename `with_*` to `from_*` by DanielYang59 in https://github.com/materialsproject/pymatgen/pull/3725
* Test `EntrySet.ground_states` and CIF writing in `NEBSet.write_input` by janosh in https://github.com/materialsproject/pymatgen/pull/3732
🚀 Performance
* Dynamic `__hash__` for `BalancedReaction` by DanielYang59 in https://github.com/materialsproject/pymatgen/pull/3676
🧪 Tests
* Clean up tests 2 by janosh in https://github.com/materialsproject/pymatgen/pull/3716
* Remove unnecessary `unittest.TestCase` subclassing by janosh in https://github.com/materialsproject/pymatgen/pull/3718
🔒 Security Fixes
* Avoid using `exec` in code by DanielYang59 in https://github.com/materialsproject/pymatgen/pull/3736
* Avoid using `eval`, replace manual offset in `enumerate` and rename single letter variables by DanielYang59 in https://github.com/materialsproject/pymatgen/pull/3739
🏷️ Type Hints
* `Self` return type on `from_dict` methods by janosh in https://github.com/materialsproject/pymatgen/pull/3702
* Return `self` from `Structure` methods `replace`, `substitute`, `remove_species`, `remove_sites` by janosh in https://github.com/materialsproject/pymatgen/pull/3706
* `Self` return type on `Lattice` methods by janosh in https://github.com/materialsproject/pymatgen/pull/3707
🤷♂️ Other Changes
* `os.path.(exists->isfile)` by janosh in https://github.com/materialsproject/pymatgen/pull/3690
New Contributors
* JonathanSchmidt1 made their first contribution in https://github.com/materialsproject/pymatgen/pull/3679
* uliaschauer made their first contribution in https://github.com/materialsproject/pymatgen/pull/3734
**Full Changelog**: https://github.com/materialsproject/pymatgen/compare/v2024.3.1...v2024.4.12