OpenMM-Torch 0.1
This is the first official release. The code is fully functional and suitable for production use, but the API might change in the future.
What's Changed
- Can run PyTorch calculations on GPU by @peastman in #1
- Removed some obsolete code from build scripts by @peastman in #3
- Added functions for casting by @peastman in #6
- Renamed class and namespace by @peastman in #7
- Created Python test by @peastman in #8
- Fix a race condition by explicitly coping Torch forces by @raimis in #16
- [BUGFIX] Synchronize CUDA context before force copying by @yaoyic in #17
- README describes how to identify OpenMM directory by @peastman in #19
New Contributors
Full Changelog: https://github.com/openmm/openmm-torch/commits/v0.1