| commit | d3d48a8b9d6a0f2994706b0eee2578914a4ebfde | |
| author | Berk Hess <hess@kth.se> | |
| Thu, 24 Nov 2016 07:43:17 +0000 (24 08:43 +0100) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Thu, 8 Dec 2016 16:23:39 +0000 (8 17:23 +0100) | ||
| tree | 37da37cdac7af223314e1a248232f079834d1bb5 | treesnapshot (tar.gz zip) |
| parent | 9723e7deb934e75602a4a8dfae5d13e968e54202 | commitdiff |
Made mdrun -pforce terminate with non-finite forces
The mdrun option -pforce would print non-finite forces, but would
not terminate the run if any were found. Now a fatal error is issued.
Change-Id: Ie126904bd45acee4e5999db77e02fbe8b6b39226
The mdrun option -pforce would print non-finite forces, but would
not terminate the run if any were found. Now a fatal error is issued.
Change-Id: Ie126904bd45acee4e5999db77e02fbe8b6b39226
| src/gromacs/mdlib/sim_util.cpp | diffblobblamehistory | |
| src/programs/mdrun/mdrun.cpp | diffblobblamehistory |