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Release v0.0.11
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utf committed Sep 2, 2023
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Expand Up @@ -64,7 +64,9 @@ Two new options have been added to the ``BaseVaspInputSetGenerator``:
* [BUG FIX] Edge case for Magmoms by @jmmshn in https://github.com/materialsproject/atomate2/pull/460
* [FIX] Fix major bug that caused `user_incar_settings` to be overwritten in some cases by @matthewkuner in https://github.com/materialsproject/atomate2/pull/412
* Test for `zip_outputs` by @gpetretto in https://github.com/materialsproject/atomate2/pull/503

### Enhancements 🛠

* Extension of Lobster schema and additional tests by @JaGeo in https://github.com/materialsproject/atomate2/pull/272
* Use emmet VASP task document by @utf in https://github.com/materialsproject/atomate2/pull/269
* VASP inputset updates by @utf in https://github.com/materialsproject/atomate2/pull/270
Expand All @@ -84,7 +86,9 @@ Two new options have been added to the ``BaseVaspInputSetGenerator``:
* Small change to `gunzip` to allow better restarting by @jmmshn in https://github.com/materialsproject/atomate2/pull/476
* Remove VASP calc types schema by @mjwen in https://github.com/materialsproject/atomate2/pull/407
* Optionally zip files at the end of jobs by @gpetretto in https://github.com/materialsproject/atomate2/pull/414

### Documentation 📖

* Add more documentation for Lobster by @JaGeo in https://github.com/materialsproject/atomate2/pull/267
* Use furo for docs theme by @utf in https://github.com/materialsproject/atomate2/pull/331
* Update Lobster documentation by @JaGeo in https://github.com/materialsproject/atomate2/pull/376
Expand All @@ -97,7 +101,9 @@ Two new options have been added to the ``BaseVaspInputSetGenerator``:
* Add clearer documentation on lobster worker by @JaGeo in https://github.com/materialsproject/atomate2/pull/440
* Docs: add basic workflow tutorial by @rkingsbury in https://github.com/materialsproject/atomate2/pull/408
* Use GitHub's `deploy-pages` action to deploy docs by @janosh in https://github.com/materialsproject/atomate2/pull/475

### House-Keeping 🧹

* More `ruff` by @janosh in https://github.com/materialsproject/atomate2/pull/344
* Move all type-hint only imports behind `if TYPE_CHECKING` by @janosh in https://github.com/materialsproject/atomate2/pull/354
* `ruff` select `perflint` `flake8-slots` by @janosh in https://github.com/materialsproject/atomate2/pull/395
Expand All @@ -106,6 +112,7 @@ Two new options have been added to the ``BaseVaspInputSetGenerator``:
* `dict.setdefault` instead of `if key not in dict: dict[key] = ...` by @janosh in https://github.com/materialsproject/atomate2/pull/452

## New Contributors

* @naik-aakash made their first contribution in https://github.com/materialsproject/atomate2/pull/279
* @matthewkuner made their first contribution in https://github.com/materialsproject/atomate2/pull/322
* @gpetretto made their first contribution in https://github.com/materialsproject/atomate2/pull/414
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