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(parent: b58afa7) | patch
Adds cut-off checks for triclinic domain decomposition
authorBerk Hess <hess@kth.se>
Mon, 24 Mar 2014 14:33:52 +0000 (15:33 +0100)
committerBerk Hess <hess@kth.se>
Mon, 24 Mar 2014 18:26:18 +0000 (19:26 +0100)
commita586b4168d35113cb5e3f3315aa73bebcf20b1c3
tree81ee47f860228efa436c94f685233ef729f9ded8tree | snapshot
parentb58afa7e304477f48ce48dfc11b9e9afd2987bc3commit | diff
Adds cut-off checks for triclinic domain decomposition

With domain decomposition and 2 decomposition cells in a trilinic
dimension, the cut-off could be longer than the size of the
communicated domains. This could lead to some pairs close to cut-off
distance to be ignored in the force/energy calculations.
Fixes #1467

Change-Id: Id7e16d7f8fa0796d6adcf48ad6e8bbb0b88039ff
src/mdlib/domdec.c diff | blob | history
src/mdlib/domdec_setup.c diff | blob | history
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