aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- Add support for fermi energy to the `BandsData`
- 📚 Docs: Clarify use case of `direct` scheduler
- Is the database really the right place for storing process checkpoints?
- SSH connection with 2FA (two-factor authentication) using Google Authenticator
- `verdi computer duplicate` should not default to the same label
- Docs: `verdi plugin list <plugin>` returns incomplete information for each `help` parameter.
- Unstored nodes in work chain context get automatically stored after step transition
- Docs: navigator links of 404 page lead you to another wrong 404
- expose inputs and outputs of process functions into WorkChain
- `QueryBuilder` does not have a `with_calling_ancestor` filter to get called calculations from a top workflos
- Docs
- Python not yet supported