grid
https://github.com/theochem/grid
Python
Python library for numerical integration, interpolation, and differentiation on (molecular) grids.
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 grid
Help out
- Issues
- Add sobol sampler as well as tests and demonstrating notebook
- 6-dimensional grids
- Created Nested_Angluar_Grid.ipynb
- GSOC 2025: Add electron density integration tools and BFit data processor
- GSoC 2026: Improve Robustness of Poisson Solver
- Adds get_atomic_property method (issue #216)
- Add lattice rules for (hyper)cubic grid integration
- GSOC 2025: Implement adaptive uniformgrid refinement
- fix: improve Poisson solver IVP robustness (#162)
- Additional low-discrepancy sequences for (hyper)cubic integration
- Docs
- Python not yet supported