| commit | ea45ba98918729de9d66150e8c6fd68728c5c9cd | |
| author | Berk Hess <hess@kth.se> | |
| Mon, 11 Dec 2017 13:17:59 +0000 (11 14:17 +0100) | ||
| committer | Erik Lindahl <erik.lindahl@gmail.com> | |
| Tue, 12 Dec 2017 15:11:25 +0000 (12 16:11 +0100) | ||
| tree | 46b7acec7a0c7956f7bd1140251b068cfa3c915e | treesnapshot (tar.gz zip) |
| parent | 24a9d798a369c6d082055ed0c3b7a24102aba82a | commitdiff |
Check for large energy at first step
Also added step number to fatal error message.
Fixes #2333
Change-Id: I6e8aa1fac3a3c9a358b4046de5c8a3547ae14b15
Also added step number to fatal error message.
Fixes #2333
Change-Id: I6e8aa1fac3a3c9a358b4046de5c8a3547ae14b15
| src/gromacs/mdlib/sim_util.cpp | diffblobblamehistory |