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(parent: a4485e8) | patch
reduced PLINCS communication with H-bond constraints
authorBerk Hess <hess@kth.se>
Fri, 7 Dec 2012 16:29:10 +0000 (17:29 +0100)
committerBerk Hess <hess@kth.se>
Tue, 11 Dec 2012 17:46:34 +0000 (18:46 +0100)
commit2cfacf28d631eac244b14fac2202c91e6b6fed27
tree639aa4074f7d0ac833a48e4b7c7aed43e0b41cactree | snapshot
parenta4485e877c201a5017d50cf11193eb8391aee80bcommit | diff
reduced PLINCS communication with H-bond constraints

When only constraining bonds involving hydrogens, there are
at most two sequential constraints connected. In that case
we now only communicate once in PLINCS.

Change-Id: I841c22b19574b1bb787b5be46637b69c77f1f757
src/mdlib/clincs.c diff | blob | history
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