Version 8.1.2 is a minor bugfix version, read on to see what's changed.
Digichem (backend) v8.1.2
New features and improvements:
- Exposed the --ghost option to digichem submit to submit calculations without invoking the database at all
Bugfixes:
- Improved error reporting for reports, particularly when critical calculation information is missing
- Fixed the automatic switching between std2 incore/outcore triggering at too low of a molecular weight
- Destinations will no longer pointlessly try and lock the database if they don't intend to write anything to it
Digichem-library v8.1.2
Bugfixes:
- Fixed PySCF results sometimes missing molecule names
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