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(parent: 0342ca4) | patch
fixed DD charge group displacement error check
authorBerk Hess <hess@kth.se>
Wed, 18 Jul 2012 12:36:01 +0000 (14:36 +0200)
committerBerk Hess <hess@kth.se>
Wed, 18 Jul 2012 12:36:01 +0000 (14:36 +0200)
commitea899188f11b00d660decc08c2b0739cec855856
treeeab514868eb82dd4a9378fc0fbc094f30791a94etree | snapshot
parent0342ca467cfab9f944cedc74706e18687b22af73commit | diff
fixed DD charge group displacement error check

One of the two checks for large charge group displacement during
domain decomposition mixed the dimension index and the dimension.
The check was correct for decomposition in x, xy or xyz. Other setups
could lead to false positives and false negatives (unlikely).
Fixes #959

Change-Id: I9e38c43f931e6ca8149faae40f49f675a7ae9664
src/mdlib/domdec.c diff | blob | history
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