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Title: Pull requests · openpathsampling/openpathsampling · GitHub

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Description: An open source Python framework for transition interface and path sampling calculations. - Pull requests · openpathsampling/openpathsampling

Open Graph Description: An open source Python framework for transition interface and path sampling calculations. - Pull requests · openpathsampling/openpathsampling

X Description: An open source Python framework for transition interface and path sampling calculations. - Pull requests · openpathsampling/openpathsampling

Opengraph URL: https://github.com/openpathsampling/openpathsampling

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Trajectory Export: Multiple Stepshttps://github.com/openpathsampling/openpathsampling/pull/1176
feature https://github.com/openpathsampling/openpathsampling/pulls?q=is%3Apr+is%3Aopen+label%3Afeature
dwhswensonhttps://github.com/openpathsampling/openpathsampling/issues?q=is%3Apr+is%3Aopen+author%3Adwhswenson
10 https://github.com/openpathsampling/openpathsampling/pull/1176
https://github.com/openpathsampling/openpathsampling/pull/1176
[WIP] Checkpointing, part 1https://github.com/openpathsampling/openpathsampling/pull/1167
dwhswensonhttps://github.com/openpathsampling/openpathsampling/issues?q=is%3Apr+is%3Aopen+author%3Adwhswenson
Draft https://github.com/openpathsampling/openpathsampling/pull/1167#partial-pull-merging
https://github.com/openpathsampling/openpathsampling/pull/1167
[WIP] engine_masses feature; use in Gromacs enginehttps://github.com/openpathsampling/openpathsampling/pull/1119
dwhswensonhttps://github.com/openpathsampling/openpathsampling/issues?q=is%3Apr+is%3Aopen+author%3Adwhswenson
4 https://github.com/openpathsampling/openpathsampling/pull/1119
https://github.com/openpathsampling/openpathsampling/pull/1119
[WIP] Fail fast if prepare fails in external engineshttps://github.com/openpathsampling/openpathsampling/pull/1118
dwhswensonhttps://github.com/openpathsampling/openpathsampling/issues?q=is%3Apr+is%3Aopen+author%3Adwhswenson
1 https://github.com/openpathsampling/openpathsampling/pull/1118
https://github.com/openpathsampling/openpathsampling/pull/1118
Update standard filename setter for external engines in OPS 2.0https://github.com/openpathsampling/openpathsampling/pull/1103
2.0 https://github.com/openpathsampling/openpathsampling/pulls?q=is%3Apr+is%3Aopen+label%3A2.0
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[WIP] New "snapshot features" implementationhttps://github.com/openpathsampling/openpathsampling/pull/1059
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6 https://github.com/openpathsampling/openpathsampling/pull/1059
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[WIP] OpenMMToolsMCEnginehttps://github.com/openpathsampling/openpathsampling/pull/1041
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2 https://github.com/openpathsampling/openpathsampling/pull/1041
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[WIP] Analysis Filtershttps://github.com/openpathsampling/openpathsampling/pull/1026
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1.6 https://github.com/openpathsampling/openpathsampling/milestone/14
13 https://github.com/openpathsampling/openpathsampling/pull/1026
https://github.com/openpathsampling/openpathsampling/pull/1026
[WIP] Functions to convert netcdfplus CVs to SimStore CVshttps://github.com/openpathsampling/openpathsampling/pull/1005
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[WIP] Parallel committor with Daskhttps://github.com/openpathsampling/openpathsampling/pull/1001
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[WIP] Gromacs apply_restraints (+ basic mdp parsing)https://github.com/openpathsampling/openpathsampling/pull/971
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[WIP] Adaptive multilevel splittinghttps://github.com/openpathsampling/openpathsampling/pull/806
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[WIP] Unproxy objects using .unproxy()https://github.com/openpathsampling/openpathsampling/pull/786
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Transition State Ensemblehttps://github.com/openpathsampling/openpathsampling/pull/680
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