atomate2 0.0.22rc1

v0.0.22rc1

on Python PyPI

Bug Fixes 🐛

• switch to CONTCAR read for LOBSTERTaskDoc by @naik-aakash in #1204
• cover cases where optimizer does additional steps even though step is set to 0 or 1 for writing xyz files by @JaGeo in #1207
• Remove walrus operator to avoid unassigned vmax by @Jonas-Finkler in #1203

Enhancements 🛠

• add file output xyz file including final atoms object to ase and forcefield jobs by @JaGeo in #1206

Documentation 📖

• Add video tutorials to README by @JaGeo in #1191
• be more concrete for tutorial video names in readme by @JaGeo in #1192
• Adding download statistics to readme by @JaGeo in #1209

New Contributors

• @Jonas-Finkler made their first contribution in #1203

Full Changelog: v0.0.20...v0.0.21