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Pull requests: openpathsampling/openpathsampling
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[WIP] Fail fast if
prepare
fails in external engines
#1118
opened Aug 8, 2022 by
dwhswenson
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Update standard filename setter for external engines in OPS 2.0
2.0
issues and PRs for the 2.0 release
#1103
opened Jan 27, 2022 by
sroet
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[WIP] New "snapshot features" implementation
2.0
issues and PRs for the 2.0 release
#1059
opened Aug 27, 2021 by
dwhswenson
•
Draft
New issues and PRs for the 2.0 release
API Break
iter_generate
for OPS 2.0
2.0
#1042
opened Aug 2, 2021 by
dwhswenson
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5 of 7 tasks
[WIP] Functions to convert netcdfplus CVs to SimStore CVs
experimental
#1005
opened Apr 8, 2021 by
dwhswenson
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[WIP] Gromacs apply_restraints (+ basic mdp parsing)
feature
#971
opened Feb 1, 2021 by
hejung
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2 of 5 tasks
[WIP] Adaptive multilevel splitting
feature
#806
opened Nov 10, 2018 by
dwhswenson
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5 of 10 tasks
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