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
- Checkpointing of processes
- Move the `minimum_job_poll_interval` from Computer to AuthInfo
- Verdi export create fails when encountering sealed nodes
- Link documentation on writing CalcJobs from the plugin section
- Add `calcfunction`, `workfunction` to default environment in verdi shell
- Let find_bandgap function (from bands.py): return homo and lumo as well
- verdi code list should hide codes on unconfigured computers
- add cli for setting minimum poll interval
- Submission of processes slows down when number of daemon workers is increased
- Option to cleanly exit a CalcJob before hitting wallclock limit?
- Docs
- Python not yet supported