Fixed bug in parallel v/f constraining
authorBerk Hess <hess@kth.se>
Mon, 17 Mar 2014 15:48:53 +0000 (16:48 +0100)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Sun, 23 Mar 2014 10:58:30 +0000 (11:58 +0100)
commitb58afa7e304477f48ce48dfc11b9e9afd2987bc3
tree8cceaff86e316c86db8f731c5cda1e0e3eee0dbb
parentd17542a376b0fac24baf8391ad1cafcb2bf95327
Fixed bug in parallel v/f constraining

Constraining v or f with 3 or more decomposition domains in one
or more dimensions could lead to modification of communicated
v and f components by the box size for inter charge-group constraints.
Fixes #1462

Change-Id: Idece9d2d0d8f48e65a654d5c2892fbe1ff836ba0
include/domdec.h
src/mdlib/clincs.c
src/mdlib/constr.c
src/mdlib/domdec_con.c