aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- Bug fix of get angle
- 120 too long. Let's discuss.
- 🐛 `FileNotFoundError` related to monitors
- Make with_mpi a strict boolean with default False
- Fix FileNotFoundError in monitors and importers using improper NamedTemporaryFile pattern
- Evaluate type annotations to follow robustness principle
- ResourceWarning from `PortableCode._validate()` method
- Refactor `MetadataField` parameters: fix semantic overloading and ambiguity
- Add `tools` property and entrypoint for workflows
- `BaseRestartWorkChain`: pause at `max_iterations`
- Docs
- Python not yet supported