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Pull requests: openpathsampling/openpathsampling

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Pull requests list

Update for SPEC0 as of Dec 2024 ci misc PR
#1169 openedDec 23, 2024 bydwhswensonLoading…
[WIP] Checkpointing, part 1
#1167 openedNov 17, 2024 bydwhswenson • Draft
1 of 4 tasks
Update standard filename setter for external engines in OPS 2.0 2.0issues and PRs for the 2.0 release
#1103 openedJan 27, 2022 bysroetLoading…
[WIP] New "snapshot features" implementation 2.0issues and PRs for the 2.0 release
#1059 openedAug 27, 2021 bydwhswenson • Draft
Newiter_generate for OPS 2.0 2.0issues and PRs for the 2.0 release API Break
#1042 openedAug 2, 2021 bydwhswensonLoading…
5 of 7 tasks
[WIP] OpenMMToolsMCEngine feature
#1041 openedJul 28, 2021 bydwhswenson • Draft
6 of 7 tasks
Updated notebooks/experimental storage
#984 openedFeb 25, 2021 byoliverduttonLoading…
[WIP] Gromacs apply_restraints (+ basic mdp parsing) feature
#971 openedFeb 1, 2021 byhejungLoading…
2 of 5 tasks
[WIP] Adaptive multilevel splitting feature
#806 openedNov 10, 2018 bydwhswensonLoading…
5 of 10 tasks
@dwhswenson
[WIP] Unproxy objects using.unproxy()
#786 openedJun 21, 2018 byjhprinzLoading…
[WIP] Lammps py3
#697 openedAug 15, 2017 byjhprinzLoading…
Transition State Ensemble
#680 openedApr 4, 2017 bysroetLoading…
Shifting Move onhold
#679 openedApr 4, 2017 bySarahMcCartanLoading…
CV File external engine onhold
#626 openedNov 6, 2016 bydwhswensonLoading… 1.x
[WIP] A simple MSM engine onhold
#518 openedJul 11, 2016 byjhprinzLoading… 1.x
[WIP] Lammps support onhold
#319 openedOct 5, 2015 byjhprinzLoading… 1.x
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