- New and better algorithm ("reversible_pathways") for detecting the ergodically connected set of Markov states - Changed meaning of "post_hoc_RE" and "BAR_variance" algorithms. They used to be stricter versions of "summed_count_matrix", now they are based on "reversible_pathways".
Upcoming:
-
0.2.5
- Fix MSC-related problems
0.2.4
- Allow periodicity when computing umbrella sampling bias energies
0.2.3
- Dropping support for numpy<1.10 on conda - Requires msmtools>=1.1.3 - New feature: mbar.estimate_therm_energies() computes only the thermodynamic free energies - Fixes: self-consistency check in cset - Removes several misleading warnings
0.2.2
- Fixes spurious division by zero warning
0.2.1
- New feature: TRAMMBAR, an extension of the TRAM estimator