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CHANGELOG.md

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# Change log
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## v0.0.16
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This release brings lots of new workflows and support for all ASE calculators.
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### New Features 🎉
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* Anharmonicity Quantification workflow by @4kevinbeck5 in https://github.com/materialsproject/atomate2/pull/901
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* Workflow for Quasi-harmonic approximation (forcefields and VASP) by @JaGeo in https://github.com/materialsproject/atomate2/pull/903
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* Atomate2 OpenMM integration & broader classical MD framework by @orionarcher in https://github.com/materialsproject/atomate2/pull/782
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* Frequency Flattening Optimizer by @rohithsrinivaas in https://github.com/materialsproject/atomate2/pull/863
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* Including VASP surface adsorption flow by @itsduowang in https://github.com/materialsproject/atomate2/pull/691
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* Generalize forcefields for generic ASE calculator support by @esoteric-ephemera in https://github.com/materialsproject/atomate2/pull/940
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### Documentation 📖
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* Input set tutorial by @JonathanSchmidt1 in https://github.com/materialsproject/atomate2/pull/780
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### House-Keeping 🧹
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* Remove emmet `==` pin in `pyproject.toml` and update version in `strict` by @Andrew-S-Rosen in https://github.com/materialsproject/atomate2/pull/988
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### New Contributors
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* @4kevinbeck5 made their first contribution in https://github.com/materialsproject/atomate2/pull/901
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* @orionarcher made their first contribution in https://github.com/materialsproject/atomate2/pull/782
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* @rohithsrinivaas made their first contribution in https://github.com/materialsproject/atomate2/pull/863
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* @itsduowang made their first contribution in https://github.com/materialsproject/atomate2/pull/691
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**Full Changelog**: https://github.com/materialsproject/atomate2/compare/v0.0.15...v0.0.16
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## v0.0.15
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**NOTE**: This version updates the VASP workflows to use input sets defined in pymatgen. Please make sure your pymatgen version is updated accordingly.
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* `ruff` fixes by @janosh in https://github.com/materialsproject/atomate2/pull/894
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* `ruff` fixes by @janosh in https://github.com/materialsproject/atomate2/pull/946
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## New Contributors
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### New Contributors
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* @rul048 made their first contribution in https://github.com/materialsproject/atomate2/pull/775
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* @davidwaroquiers made their first contribution in https://github.com/materialsproject/atomate2/pull/183
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* Update lobsterpy version by @naik-aakash in https://github.com/materialsproject/atomate2/pull/683
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* Fix all ruff PT011 (not checking error message when testing exceptions) by @janosh in https://github.com/materialsproject/atomate2/pull/698
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## New Contributors
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### New Contributors
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* @JonathanSchmidt1 made their first contribution in https://github.com/materialsproject/atomate2/pull/648
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* @rdguha1995 made their first contribution in https://github.com/materialsproject/atomate2/pull/161
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* Future type annotations by @janosh in https://github.com/materialsproject/atomate2/pull/580
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* Use `numpy.testing.assert_allclose` over assert `np.(all|is)close` by @janosh in https://github.com/materialsproject/atomate2/pull/582
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## New Contributors
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### New Contributors
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* @mattmcdermott made their first contribution in https://github.com/materialsproject/atomate2/pull/506
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* @tpurcell90 made their first contribution in https://github.com/materialsproject/atomate2/pull/568
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* Simplify: `dict.get(key, None)` -> `dict.get(key)` by @janosh in https://github.com/materialsproject/atomate2/pull/429
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* `dict.setdefault` instead of `if key not in dict: dict[key] = ...` by @janosh in https://github.com/materialsproject/atomate2/pull/452
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## New Contributors
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### New Contributors
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* @naik-aakash made their first contribution in https://github.com/materialsproject/atomate2/pull/279
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* @matthewkuner made their first contribution in https://github.com/materialsproject/atomate2/pull/322

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