This repository has been archived by the owner on Sep 11, 2023. It is now read-only.

Service release

marscher released this 21 Jun 12:43

· 2888 commits to devel since this release

042fa8c

Fixes:

clustering: fixed serious bug in minRMSD distance calculation, which led to
lots of empty clusters. The bug was introduced in version 2.1. If you used
this metric, please re-assign your trajectories. #825
clustering: fixed KMeans with minRMSD metric. #814
thermo: made estimate_umbrella_sampling more robust w.r.t. input and fixed doumentation. #812 #827
msm: low-level api usage deprecation warnings only show up when actually used.

Assets 2