aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
Triage Issues!
When you volunteer to triage issues, you'll receive an email each day with a link to an open issue that needs help in this project. You'll also receive instructions on how to triage issues.
Triage Docs!
Receive a documented method or class from your favorite GitHub repos in your inbox every day. If you're really pro, receive undocumented methods or classes and supercharge your commit history.
Python not yet supported0 Subscribers
Add a CodeTriage badge to aiida-core
Help out
- Issues
- officially deprecate legacy kpoints module
- Determine which built in exit codes for `CalcJob` have to have set `invalidates_cache=True`
- New AiiDA GaussianCubeData class.
- Support for notification data structures (errors, warnings etc.)
- `QueryBuilder`: using `edge_filters` when joining with `with_ancestors` raises
- Add query relationship considering the 'extended' provenance graph
- The `provenance_exclude_list` is not stored as an attribute on the `CalcJobNode`
- Native support for XML input/output files?
- Docs: add a glossary
- Docs: Prefer neutral over personalized language
- Docs
- Python not yet supported