OpenPathSampling 1.5.1 #1038
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OpenPathSampling 1.5.1 #1038
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Bump 1.5.1.dev0
Still need to add tests and some additional usability/sanity checks. But this seems to solve the problem.
… into simstore-numpy-bug
This will check that setting sim.live_visualizer works.
Co-authored-by: Sander Roet <sanderroet@hotmail.com>
Fix DataFrame.sort_index future warning
Fix OpenMM engine docs on n_frames_max
Fix bug with SimStore CVs storing NumPy arrays
Codecov Report
@@ Coverage Diff @@
## stable #1038 +/- ##
==========================================
+ Coverage 81.51% 81.54% +0.02%
==========================================
Files 140 140
Lines 15399 15400 +1
==========================================
+ Hits 12553 12558 +5
+ Misses 2846 2842 -4
Continue to review full report at Codecov.
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I'll leave this open for at least another 18 hours, just in case anyone has a last-second bug fix that they want included in 1.5.1. I'll merge no earlier than Fri 23 Jul 14:00 GMT (10:00 my local). |
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OpenPathSampling 1.5.1 is a minor bugfix release. It fixes a bug in SimStore's ability to store/reload some CV types (specifically, CVs that save NumPy arrays). It also fixes a backward compatibility problem with live visualizations in scripts written for OPS before 1.5.0.
We're also happy to welcome @sroet as a maintainer of OPS, and as a "standard contributor." As a maintainer, @sroet has merge access to OPS repositories. As a standard contributor, PRs from @sroet will no longer be tagged with his username in release notes.
Bugs fixed
Miscellaneous improvements