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openpathsampling
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Commits on Jun 30, 2020
Merge pull request #919 from sroet/use_uuid_for_analysis
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Commits on Jun 23, 2020
Merge pull request #921 from hejung/ujson_v3
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support ujson v3
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Commits on Jun 9, 2020
use uuid instead of 'is' for selecting ensembles
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Commits on Jun 4, 2020
Merge pull request #917 from sroet/support_ujson_ver_3
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set reject_bytes=False for ujson >= 3
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Commits on Jun 3, 2020
Merge pull request #916 from sroet/make_tqdm_test_optional
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make tqdm optional for tests
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Commits on May 3, 2020
Merge pull request #910 from apdealbao/ops_with_plumed
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Commits on Apr 8, 2020
Merge pull request #912 from dwhswenson/fix_miniconda_install
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Fix miniconda install
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Commits on Mar 26, 2020
getting box from snapshot
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Commits on Mar 25, 2020
tests, skips, resources, examples, no large files
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Commits on Mar 20, 2020
Merge pull request #908 from dwhswenson/fix_ext_snapshot_missing
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remove debugging line
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Commits on Mar 19, 2020
Add tests for external snapshots
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Commits on Mar 15, 2020
Merge pull request #909 from dwhswenson/gmx_updates
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Commits on Mar 13, 2020
Merge branch 'sphinx_improvements' into gmx_updates
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update gmx example notebooks
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Add engine_debug.conf
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Unformatted gmx cmds are class vars; improve tests
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Commits on Mar 12, 2020
Merge pull request #906 from dwhswenson/spa_progress
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Commits on Mar 10, 2020
Start improvements to Gromacs Engine
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Commits on Mar 9, 2020
Fix missing names in ExternalMDSnapshot
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minor cleanup
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Progress indicator for shooting point analysis
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Commits on Mar 7, 2020
Merge pull request #905 from dwhswenson/direct_sim_start_stop
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Commits on Mar 4, 2020
stop should be given a trajectory
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Add n_frames_since_start=None to ext engine init
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DirectSimulation should use engine.start/.stop
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Commits on Feb 26, 2020
Merge pull request #725 from hejung/fix_SPA
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Commits on Feb 24, 2020
Merge pull request #903 from hejung/storage_abspath
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Commits on Feb 23, 2020
Merge pull request #778 from hejung/fix_caching_mode
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Fix up GromacsEngine docs
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storage.filename is now an absolute path and a read-only property
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