sisl
https://github.com/zerothi/sisl
Python
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
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 supported1 Subscribers
Add a CodeTriage badge to sisl
Help out
- Issues
- Convert to csr_array (internally)
- Bump to 3.10 requirement in October
- Adaptive integration
- Unpacking TRS Monkhorst-Pack k-grids for full data
- Z matrix
- Changing default in `a2o(all=False)` to `a2o(all=True)`
- pixi support
- Feedback on API, project=, projection=, other?
- Densities and grids are not converting correct units
- Update sphinx requirement from <8 to <9
- Docs
- Python not yet supported