Fix LINCS triangle constraining with OpenMP
commit46f2b82d91b28f47d86ed1831eefcede6731d6e1
authorBerk Hess <hess@kth.se>
Thu, 13 Dec 2018 10:59:49 +0000 (13 11:59 +0100)
committerPaul Bauer <paul.bauer.q@gmail.com>
Fri, 14 Dec 2018 13:23:20 +0000 (14 14:23 +0100)
treedfd00ffb7e6d3d7146a6b403d37b8ed418b27e84
parent529c45b3387160cf886458a6b42c75bb861de853
Fix LINCS triangle constraining with OpenMP

LINCS would only apply double the iterations to constraints
in triangles when the last OpenMP task contained at least one such
triangle.

Fixes #2808

Change-Id: I37a3d61c868f60387e536d3db3a4079deb6ae504
src/gromacs/mdlib/lincs.cpp