aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- `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
- `Node`: Validate nested attribute and extra keys
- Importing `.xyz` structure with `ase` does not respect `pbc`
- Allow templating inside `prepend_text` and `append_text`
- idea: CalcJob input plugin can specify default name of executable in codeinfo.json, if not provided by user
- The `delete_stale_pid_file` check for the daemon is fragile
- devcontainer follow-up
- Docs
- Python not yet supported