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aximthered
openpathsampling
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Commits on Jan 28, 2022
Merge pull request #1102 from sroet/issue_1101_1x_default
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Update openpathsampling/deprecations.py
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Commits on Jan 27, 2022
add deprecation warning for default filesetter
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Commits on Jan 24, 2022
Merge pull request #1100 from dwhswenson/openmm-rc-check-not-main
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Commits on Jan 23, 2022
remove running of check-openmm-rc from PRs
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Commits on Jan 20, 2022
Start to move check-openmm-rc off of main branch
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Commits on Jan 19, 2022
Merge pull request #1066 from dwhswenson/gromacs_clear_snapshot
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Commits on Jan 18, 2022
Update openpathsampling/engines/dynamics_engine.py
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Commits on Jan 14, 2022
move setting into the except clause
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Merge branch 'gromacs_clear_snapshot' of github.com:dwhswenson/openpathsampling into gromacs_clear_snapshot
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Update openpathsampling/engines/dynamics_engine.py
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Commits on Jan 13, 2022
test for issue mentioned in review
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Commits on Dec 20, 2021
Merge pull request #1096 from sroet/fix_escape_sequence
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make a missted string into a rawstring
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Commits on Dec 15, 2021
Merge pull request #1093 from dwhswenson/fix-openmm-rc-build
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Commits on Dec 14, 2021
Merge pull request #787 from singraber/s_shooting
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remove debugging on test-openmm-rc
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Try fixing CONDA_PY=3.9
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Commits on Dec 13, 2021
Update openpathsampling/tests/test_sshooting_analysis.py
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serialization tests; update some old test PEP8
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Switch S-Shooting tests to pytest
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Commits on Dec 10, 2021
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Merge pull request #1092 from sroet/tiny_fix
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drop nose from test_volume.py
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Merge pull request #1068 from dwhswenson/test-analysis-utils
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add unittests for behaviour
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actually check for 'inf' in cvvolume.lambda_max
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Commits on Dec 9, 2021
Merge remote-tracking branch 'upstream/master' into test-analysis-utils
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Merge pull request #1091 from sroet/fix_notebook
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Commits on Dec 8, 2021
only ignore openmmtools import
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Commits on Dec 7, 2021
minor cleanup; mainly style
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reorg, lots of docstrings for analysis test utils
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[DEBUG] split out imports to see which one is faulty
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remove extra copied commas:
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