The highlights of OpenPathSampling 1.3 are the PLUMED wrapper CVs for OPS (previously an external repository), and the optional progress indicators for analysis. In addition, OPS 1.3 brings several bugfixes, and adds support for newer versions of dependencies.

New features and enhancements

• PLUMED Collective Variables in OPS (#910 @apdealbao)
• Gromacs engine and example updates (#909)
• Progress indicators for analysis (#895, #902, #906)
• storage.filename is now an absolute path and a read-only property (#903 @hejung)

Bugs fixed

• Pin ujson<2 (bug in later versions can break reloading) (#926)
• use uuid instead of 'is' for selecting ensembles in rate calculation (#919 @sroet)
• Fix missing names in ExternalMDSnapshot (#908)
• DirectSimulation should use engine.start/.stop (#905)

Miscellaneous improvements

• Support for ujson 3 ((#917 @sroet, #921 @hejung)
• Improvements and maintenance of devtools (#912, #926, #927)
• Support for pandas 1.0 (#898 @sroet, #925)
• Improvements to documentation (#901, #909)
• make tqdm optional for tests (#916 @sroet)
• Fix missing newline in the VisitAllStatesEnsemble (#900)