aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- Docs: Topic storage
- Docs: Provide demo page with short and interesting examples on how to use AiiDA
- Make `QueryBuilder.one` return single value instead of list if only single projection
- Exceptions in `Process.on_terminated` will not cause process to be EXCEPTED
- Document that test profiles are excluded from '--all' in daemon stop
- More options for using AiiDA with locked-down supercomputers
- validation of Node labels
- GroupPath enhancements
- Document New Group Utilities
- Document that CALL and RETURN links are not considered in 'with_ancestors' queries.
- Docs
- Python not yet supported