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
- Symmetry groups
- Sites class
- Add vector object to abstract geometry and forces into a similar feature
- Speed up Orbital.psi calculations by cython interpolation
- SCF models in sisl
- SparseGeometry rename to physical quantity
- Conductivity calculations using KG formula
- Create an attribute class which can accept events
- Group members in geometry
- maxR overlapping orbitals or in its own radius
- Docs
- Python not yet supported