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1 | 1 | # Change log
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2 | 2 |
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| 3 | +## v0.0.14 |
| 4 | + |
| 5 | +### New Features 🎉 |
| 6 | +* Add lobster mp workflow by @JaGeo in https://github.com/materialsproject/atomate2/pull/634 |
| 7 | +* Add FHI-aims DFT calculator by @tpurcell90 in https://github.com/materialsproject/atomate2/pull/562 |
| 8 | +* Electrode Workflow by @jmmshn in https://github.com/materialsproject/atomate2/pull/655 |
| 9 | +* Equation of state (EOS) workflows by @esoteric-ephemera in https://github.com/materialsproject/atomate2/pull/623 |
| 10 | +### Bug Fixes 🐛 |
| 11 | +* Skip final LDAU/J/L/MAGMOM updates and fix setting MAGMOM via `user_incar_settings` by @JonathanSchmidt1 in https://github.com/materialsproject/atomate2/pull/648 |
| 12 | +* Prep for next `pymatgen` release by @janosh in https://github.com/materialsproject/atomate2/pull/690 |
| 13 | +* [bug fix] SC Matrix Checking Logic by @jmmshn in https://github.com/materialsproject/atomate2/pull/704 |
| 14 | +* Fix elastic conventional structure by @mjwen in https://github.com/materialsproject/atomate2/pull/706 |
| 15 | +* Add `KspacingMetalHandler` to VASP `_DEFAULT_HANDLERS` by @janosh in https://github.com/materialsproject/atomate2/pull/600 |
| 16 | +* Fix import error [ijson] by @naik-aakash in https://github.com/materialsproject/atomate2/pull/708 |
| 17 | +* Print invalid value and list valid ones in `PhononMaker` error messages by @janosh in https://github.com/materialsproject/atomate2/pull/728 |
| 18 | +* Update minimum `monty` version, allow newer `pydantic` by @mkhorton in https://github.com/materialsproject/atomate2/pull/720 |
| 19 | +* Fix phonon + Lobster flow by removing magmoms before passing to `phonopy` by @naik-aakash in https://github.com/materialsproject/atomate2/pull/751 |
| 20 | +* Fix MP query by @utf in https://github.com/materialsproject/atomate2/pull/755 |
| 21 | +### Enhancements 🛠 |
| 22 | +* add directory of task doc generation to phonon schema by @JaGeo in https://github.com/materialsproject/atomate2/pull/674 |
| 23 | +* Ensure MP VASP sets don't use auto_ismear, few other fixes by @esoteric-ephemera in https://github.com/materialsproject/atomate2/pull/673 |
| 24 | +* Schema update > Update plot example LOBSTER workflow by @naik-aakash in https://github.com/materialsproject/atomate2/pull/682 |
| 25 | +* Modify `BadInputSetWarning` logic for relaxations of a likely metal by @Andrew-S-Rosen in https://github.com/materialsproject/atomate2/pull/727 |
| 26 | +* Define `MLFF` `Enum` to ensure consistent force field names by @janosh in https://github.com/materialsproject/atomate2/pull/729 |
| 27 | +### Documentation 📖 |
| 28 | +* Update doc: adding metadata to flow by @naik-aakash in https://github.com/materialsproject/atomate2/pull/638 |
| 29 | +* Fix hyperlink in Docs by @naik-aakash in https://github.com/materialsproject/atomate2/pull/686 |
| 30 | +* Correct typo in doc by @JiQi535 in https://github.com/materialsproject/atomate2/pull/716 |
| 31 | +* Fix docstring on `MatPesMetaGGAStaticSetGenerator` by @Andrew-S-Rosen in https://github.com/materialsproject/atomate2/pull/725 |
| 32 | +* Add `citation.cff` file, Zenodo record and readme "How to cite" section by @janosh in https://github.com/materialsproject/atomate2/pull/731 |
| 33 | +### House-Keeping 🧹 |
| 34 | +* Address TODO re missing asserts in `test_elastic_wf_with_mace()` by @janosh in https://github.com/materialsproject/atomate2/pull/679 |
| 35 | +* Update lobsterpy version by @naik-aakash in https://github.com/materialsproject/atomate2/pull/683 |
| 36 | +* Fix all ruff PT011 (not checking error message when testing exceptions) by @janosh in https://github.com/materialsproject/atomate2/pull/698 |
| 37 | + |
| 38 | +## New Contributors |
| 39 | +* @JonathanSchmidt1 made their first contribution in https://github.com/materialsproject/atomate2/pull/648 |
| 40 | +* @rdguha1995 made their first contribution in https://github.com/materialsproject/atomate2/pull/161 |
| 41 | +* @JiQi535 made their first contribution in https://github.com/materialsproject/atomate2/pull/716 |
| 42 | + |
| 43 | +**Full Changelog**: https://github.com/materialsproject/atomate2/compare/v0.0.13...v0.0.14 |
| 44 | + |
3 | 45 | ## v0.0.13
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4 | 46 |
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5 | 47 | ### BREAKING CHANGE
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