aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- Caching: ph process failed if previous pw.x process finished_ok and cached but remote folder cleaned.
- quote/unquote parsing in rest api filters
- Process functions have inconsistent behavior in validating inputs nested in dictionaries
- Check that values put in the workchain context can be deserialized
- suggesting citations for AiiDA workflow runs
- De-couple file upload/download from scheduler communication methods
- support non-uniform numbers of tasks per node?
- Embed binder in AiiDA docs (via thebe)?
- Docs: mandatory to set `codeinfo.withmpi=False` for non-mpi code
- Docs: 404
- Docs
- Python not yet supported