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(parent: e6cd064) | patch
fixed incorrect virial with virtual sites and OpenMP
authorBerk Hess <hess@kth.se>
Wed, 5 Dec 2012 15:50:30 +0000 (16:50 +0100)
committerBerk Hess <hess@kth.se>
Wed, 5 Dec 2012 15:50:30 +0000 (16:50 +0100)
commit005b6a6f8668d85a28aefd0442a6069461a889e6
treea2887dc52e6ad0b08765d52a890828bcbb2c8651tree | snapshot
parente6cd064af2032c3e2c9b05dc95dd4651700d5691commit | diff
fixed incorrect virial with virtual sites and OpenMP

The virial was incorrect with more than 1 OpenMP thread
and virtual sites crossing a box boundary.
Fixes #1060

Change-Id: Ib659f6eb7719f4808b37e828b96526587f8a0e69
src/mdlib/vsite.c diff | blob | history
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