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openpathsampling
openpathsampling
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Commits on Jun 6, 2026
Merge pull request #1183 from dwhswenson/fix-openmm-rc-workflow
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Commits on May 31, 2026
Revert "Enable in PRs for testing"
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Enable in PRs for testing
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Fix OpenMM RC test workflow
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Commits on May 20, 2026
Merge pull request #1176 from dwhswenson/dump-trajectories
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Implement review suggestions on contexlib.chdir
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Commits on May 14, 2026
Specialize error for empty trajectory case
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Commits on May 13, 2026
Merge branch 'dump-trajectories' of github.com:dwhswenson/openpathsampling into dump-trajectories
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Merge branch 'master' of github.com:openpathsampling/openpathsampling into dump-trajectories
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Commits on May 11, 2026
Update openpathsampling/exports/steps/symlink_step_exporter.py
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Merge pull request #1180 from dwhswenson/openmm-platform-serialization
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Commits on May 10, 2026
Update openpathsampling/tests/test_openmm_engine.py
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Commits on Mar 28, 2026
Switch _normalize_platform to match/case
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Commits on Mar 24, 2026
Merge branch 'master' of github.com:openpathsampling/openpathsampling into openmm-platform-serialization
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Commits on Mar 23, 2026
Merge pull request #1181 from dwhswenson/fix-numpy-singletons-simstore
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Commits on Mar 22, 2026
Improve test for test_storable_function
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Fix problems with scalarize singletons in numpy 2
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Commits on Mar 2, 2026
Merge branch 'openmm-platform-serialization' of github.com:dwhswenson/openpathsampling into openmm-platform-serialization
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test to cover error case in _normalize_platform
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Merge pull request #1179 from openpathsampling/docs_deploy
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Modernize conf.py: pathlib and contextlib!
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OpenMMEngine: Persist `platform`
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Commits on Mar 1, 2026
Fixes for deploy_docs
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Commits on Feb 27, 2026
Merge branch 'master' of github.com:openpathsampling/openpathsampling into docs_deploy
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Commits on Feb 23, 2026
Merge pull request #1178 from dwhswenson/fix-pkg-resources
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Add test for uncovered `raise`
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Better handling of sqrt for resampling variance
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fic numpy 2 issue collapsing len 1 array to scalar
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Remove usage of `df.applymap` (pandas 3 support)
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Commits on Feb 22, 2026
Remove dependence on pkg_resources
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Commits on Feb 17, 2026
More testing for exports
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Commits on Dec 15, 2025
Merge remote-tracking branch 'upstream/master' into dump-trajectories
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Merge pull request #1169 from dwhswenson/spec0-dec2024
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Commits on Dec 14, 2025
Move the ext into the responsibility of the writer
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