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Fixed error in computing global variables #1384

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merged 1 commit into from
Feb 4, 2016

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peastman
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@peastman peastman commented Feb 4, 2016

Fixes #1380. This error was introduced post-6.3, so it isn't in any released version.

@jchodera
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jchodera commented Feb 4, 2016

Thanks!

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peastman commented Feb 4, 2016

For some reason it's not even attempting to run CI. No idea why, but I'm pretty confident of this fix, and I ran the tests on my computer, so I'm going to merge it.

peastman added a commit that referenced this pull request Feb 4, 2016
Fixed error in computing global variables
@peastman peastman merged commit 4beb144 into openmm:master Feb 4, 2016
@peastman peastman deleted the setglobal branch February 4, 2016 22:19
@jchodera
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jchodera commented Feb 4, 2016

Fixed for me!

mski1776:perses.choderalab choderaj$ python customintegrator_bug.py
   Reference :    18.000000
         CPU :    18.000000
      OpenCL :    18.000000

Thanks!

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2 participants