| commit | cd3280fa3af2adab54ac3138d5c17c6ea50d8e0a | |
| author | Berk Hess <hess@kth.se> | |
| Thu, 30 Nov 2017 15:17:58 +0000 (30 16:17 +0100) | ||
| committer | Erik Lindahl <erik.lindahl@gmail.com> | |
| Sat, 2 Dec 2017 09:27:18 +0000 (2 10:27 +0100) | ||
| tree | c21ee95101f2725fc4b47015439964898accd775 | treesnapshot (tar.gz zip) |
| parent | ae57e7d7ea03f3d49655e8c8cc13ed7b1be138d7 | commitdiff |
Avoid assertion failure in AWH
With an unstable reaction coordinate or unequilibrated system, AWH
could cause an assertion to fail. Now AWH checks for valid coordinate
input and throws an exception with a clear message.
Change-Id: I059d9cd9fbff74fc096a9c1e4c16cf8d84b2118a
With an unstable reaction coordinate or unequilibrated system, AWH
could cause an assertion to fail. Now AWH checks for valid coordinate
input and throws an exception with a clear message.
Change-Id: I059d9cd9fbff74fc096a9c1e4c16cf8d84b2118a
| src/gromacs/awh/coordstate.cpp | diffblobblamehistory |