·
28 commits
to master
since this release
- CP2K fixes (@janosh)
- Fix borg.hive.SimpleVaspToComputedEntryDrone.assimilate ValueError when core file missing (@DanielYang59)
- Revert breaking analysis.local_env default_op_params/cn_opt_params rename (@DanielYang59)
- Added new Flag for AutoOxiStateDecorationTransformation (@jmmshn)
- Fixed execution of packmol in relative path. (@davidwaroquiers)
- Improve element mismatch handling with POTCAR for Poscar.from_file/str (@DanielYang59)
- Preprocess Structure Reduction Before Bulk Match (@lan496)
- Add min "thickness" check in CifParser to filter invalid structure which leads to infinite loop (@DanielYang59)
Contributors
davidwaroquiers, lan496, and 3 other contributors