materialsproject/atomate2: v0.0.23

Zenodo (CERN European Organization for Nuclear Research)

Abstract

Bug Fixes 🐛 switch to CONTCAR read for LOBSTERTaskDoc by @naik-aakash in https://github.com/materialsproject/atomate2/pull/1204 cover cases where optimizer does additional steps even though step is set to 0 or 1 for writing xyz files by @JaGeo in https://github.com/materialsproject/atomate2/pull/1207 Remove walrus operator to avoid unassigned vmax by @Jonas-Finkler in https://github.com/materialsproject/atomate2/pull/1203 Enhancements 🛠 add file output xyz file including final atoms object to ase and forcefield jobs by @JaGeo in https://github.com/materialsproject/atomate2/pull/1206 Documentation 📖 Add video tutorials to README by @JaGeo in https://github.com/materialsproject/atomate2/pull/1191 be more concrete for tutorial video names in readme by @JaGeo in https://github.com/materialsproject/atomate2/pull/1192 Adding download statistics to readme by @JaGeo in https://github.com/materialsproject/atomate2/pull/1209 New Contributors @Jonas-Finkler made their first contribution in https://github.com/materialsproject/atomate2/pull/1203 Full Changelog: https://github.com/materialsproject/atomate2/compare/v0.0.20...v0.0.21 [contributors]: <> (CONTRIBUTOR SECTION) [nwinner]: https://github.com/nwinner [jageo]: https://github.com/JaGeo [zhuoying]: https://github.com/Zhuoying [jmmshn]: https://github.com/jmmshn [mkhorton]: https://github.com/mkhorton [QuantumChemist]: https://github.com/QuantumChemist [janosh]: https://github.com/janosh [mjwen]: https://github.com/mjwen [arosen]: https://github.com/Andrew-S-Rosen [rkingsbury]: https://github.com/rkingsbury [naik-aakash]: https://github.com/naik-aakash

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