========= Changelog ========= .. current developments v1.0.1 ==================== **Added:** * Debug script in devtools to test OpenMM installation. * Use rever to manage changelog. **Changed:** * Updated docs to reference miniforge instead of mambaforge since they are the same now, see https://github.com/conda-forge/miniforge?tab=readme-ov-file#whats-the-difference-between-mambaforge-and-miniforge. * The LomapAtomMapper defaults have now changed to better reflect real-life usage. Key kwarg changes include; `max3d=1.0` and `shift=False`. **Fixed:** * Calling `get_forward_and_reverse_energy_analysis` in the RFE and AFE protocols now results a warning if any results are ``None`` due to MBAR convergence issues. * Checkpoint interval default value has been set to 250 ps instead of 1 ps. This better matches the previous default for openfe versions < 1.0rc (See issue #772).