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(parent: 67a4d3c) | patch
Update DD cutoffs for update groups
authorBerk Hess <hess@kth.se>
Tue, 18 Sep 2018 12:11:42 +0000 (14:11 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 2 Oct 2018 06:59:59 +0000 (08:59 +0200)
commit415ce59aa76aa549023c68bbb0f7f222dce0de1b
tree1fa4699a3c41ee48f0de04139e525c1038779dbctree | snapshot
parent67a4d3cb203da0edc8b82d66bcb7d0bbcf85765ecommit | diff
Update DD cutoffs for update groups

Due to the distance between atoms to the center of geometry of the
update group they belong to, there is now a difference between
atom-atom, domain-domain and atom-domain cutoffs.
Also adds the cutoff versus box check for update groups.

Change-Id: I474cd1371a1fac22f26b80adcc235bfb10764d34
src/gromacs/domdec/domdec.cpp diff | blob | history
src/gromacs/domdec/domdec_topology.cpp diff | blob | history
src/gromacs/domdec/partition.cpp diff | blob | history
src/gromacs/domdec/utility.h diff | blob | history
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