Published June 3, 2026
| Version v2.0.0
Software
Open
ReaxKit: A modular Python toolkit for ReaxFF simulation analysis
Authors/Creators
Description
What's Changed
- Add engine adapter layer, domain models, task registry and MSD analysis workflow by @ali-m-dinani in https://github.com/ali-m-dinani/reaxkit/pull/3
- Reorganize package layout and relocate ReaxFF IO/generators under engine/reaxff by @ali-m-dinani in https://github.com/ali-m-dinani/reaxkit/pull/5
- Release ReaxKit v2.0.0: engine-agnostic analysis architecture, workspace caching, and WebUI in New features branch by @ali-m-dinani in https://github.com/ali-m-dinani/reaxkit/pull/6
New Contributors
- @ali-m-dinani made their first contribution in https://github.com/ali-m-dinani/reaxkit/pull/3
Full Changelog: https://github.com/ali-m-dinani/reaxkit/compare/v1.0.0...v2.0.0
Notes
If you use ReaxKit in your research, please cite it using the following reference.
Files
ali-m-dinani/reaxkit-v2.0.0.zip
Files
(16.2 MB)
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md5:bf02cfbbaeeaccbf859d8b677e41815d
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Additional details
Related works
- Is supplement to
- Software: https://github.com/ali-m-dinani/reaxkit/tree/v2.0.0 (URL)
Software
- Repository URL
- https://github.com/ali-m-dinani/reaxkit