| commit | 41fa585512ada702249ace17f14080a5f68a1f94 | |
| author | Berk Hess <hess@kth.se> | |
| Thu, 8 Jun 2017 09:38:17 +0000 (8 11:38 +0200) | ||
| committer | Kasson <kasson@gmail.com> | |
| Thu, 8 Jun 2017 20:41:37 +0000 (8 22:41 +0200) | ||
| tree | 06e45c53e80c34a242072e617aa5ca775a8213d7 | treesnapshot (tar.gz zip) |
| parent | 279eba76f677efc59d7169fb4d3d9fc98bc43f49 | commitdiff |
Fix COM pull force with SD
The reported COM pull force when using the SD integrator was random
only. Now the pull force is summed over the systematic and random
SD update components.
A better solution is to not add the random force at all, but such
a change should not be done in a release branch.
Fixes #2201.
Change-Id: I10a56b30b952869396d170914bcbc0163299a1c8
The reported COM pull force when using the SD integrator was random
only. Now the pull force is summed over the systematic and random
SD update components.
A better solution is to not add the random force at all, but such
a change should not be done in a release branch.
Fixes #2201.
Change-Id: I10a56b30b952869396d170914bcbc0163299a1c8
| src/gromacs/pulling/pull.cpp | diffblobblamehistory |