What's Changed
✨ New Features
- REBO2 potential — #72 by @lafourcadep
- MLIP/POD potential support — #70 by @lafourcadep
- PACE potential support — #71 by @lafourcadep
- Force computation from grid cell values — #74 by @lafourcadep
- EGL render contribution — #75 by @lafourcadep
🧪 Physics & Numerics
- Improved physics for flexible molecules + full reproduction of STAMP4 results — #61 by @lafourcadep
- Rigid molecule numerical scheme — #64 by @lafourcadep
- Merge flexible molecule developments into main — #65 by @lafourcadep
- NPT: remove momentum drift — #63 by @lafourcadep
🔧 Refactoring & Tooling
- Refactor configuration files — #62 by @lafourcadep
- Clean up test suite — #68 by @lafourcadep
📚 Documentation
- Reorganize documentation structure for summer school course — #67 by @lafourcadep
Full Changelog: v3.7.5...v3.8.0
Contributors
lafourcadep