aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- direct scheduler: kill the job after time exceeded.
- "Store in the DB what you want to query for"
- Sphinx directives are no longer hooked into sphinx.ext.autodoc
- Reduce probability of spawning calculations and losing track of them between daemon restarts
- Verdi graph command - "Find if two points on the graph are connected" function
- Show warning when submitting calculation to disabled computer
- consider moving rest api out of aiida-core
- Introduce concepts to test different schedulers and their versions
- Exit code integers are not checked to be unique.
- introduce model-dependent immutable fields
- Docs
- Python not yet supported