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(parent: e6a6067) | patch
fixed resetting states with parallel Verlet scheme
authorBerk Hess <hess@kth.se>
Fri, 11 Jan 2013 16:55:23 +0000 (17:55 +0100)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Sun, 13 Jan 2013 22:39:30 +0000 (23:39 +0100)
commitbe7e30fa758ab35ea93dc3df3677df31f0b91ce4
treeaf78b1c4052194f3a89de620a696c8e72caba937tree | snapshot
parente6a606701109ed3f730658959c5fe841dd6dd1efcommit | diff
fixed resetting states with parallel Verlet scheme

The simulation state might need to be reset with e.g. REMD
or energy minimization. With the Verlet scheme in parallel
the contents of one outdated array was used, leading to gmx_fatal.
Fixes #1024

Change-Id: I24d07ea7dfd41e9689dd083cafbf778a7c8033fd
src/mdlib/domdec.c diff | blob | history
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