aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- ProjectionData bug
- Support string representation of an StructureData
- 🐛 Engine: daemon restart fails with `circus.exc.ConflictError`
- ✨ Allow user to specify working directory
- 🐛 Engine: Submission failure with `DeliveryError`
- `Parser.parse_from_node` does not follow same path as `CalcJob.parse`
- Add `flat` argument to `QueryBuilder.iterall()`
- 📋 List to keep track of counter-intuitive API behaviour
- Changing nested content of stored `Dict` nodes does not raise
- Importing `.xyz` structure with `ase` does not respect `pbc`
- Docs
- Python not yet supported