aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- Implement _repr_html_ representation for base orm types
- StructureData.get_angles() freaks out for zero cell
- TrajectoryData does not preserve periodicity information
- Allow `calcfunction` to return a `list`?
- Docs: troubleshooting section for conda installed RMQ and PostgreSQL
- CLI `--verbosity` flag behaviour depends on position
- 📝 DOCS: Better/quicker highlighting of useful resources
- Extras lost if different processes try to update the extras of the same node
- Sudo permission not prompt but directly exit the `verdi profile delete` command
- ORM: Use pydantic to specify a schema for each ORM entity
- Docs
- Python not yet supported