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Attempt to fix for old openmmtools as well as new - #768

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dwhswenson merged 2 commits into
openpathsampling:masterfrom
dwhswenson:fix_openmmtools_rename
Oct 6, 2018
Merged

dwhswenson merged 2 commits into
openpathsampling:masterfrom
dwhswenson:fix_openmmtools_rename

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@dwhswenson

@dwhswenson dwhswenson commented Apr 16, 2018 •

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This, combined with pinning to openmmtools==0.14, may be a (temporary?) fix for #767.

Update: thanks to @andrrizzi's suggestion in #767 (comment), this PR now resolves #767 in two ways:

  • If the user has openmmtools 0.14 or older installed, we still work with that (although that will be removed in 2.0, if not before)
  • We also work directly with integrators in 0.15.

@sroet

sroet commented Apr 16, 2018

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This, combined with openmmtools=0.14, fixes issue #767 for me

@dwhswenson dwhswenson mentioned this pull request Sep 30, 2018
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dwhswenson merged commit 78382fc into openpathsampling:master Oct 6, 2018
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dwhswenson deleted the fix_openmmtools_rename branch January 21, 2019 16:23
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Can not restore openmmtools integrator

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