| commit | 870fe7cec7458aab0d743f1ebed58bb0b56468b7 | |
| author | Berk Hess <hess@kth.se> | |
| Wed, 9 Mar 2016 22:09:51 +0000 (9 23:09 +0100) | ||
| committer | Berk Hess <hess@kth.se> | |
| Wed, 9 Mar 2016 22:09:51 +0000 (9 23:09 +0100) | ||
| tree | 616d0a95d3ae2bb8853dd7d643df04ab78eb1b2e | treesnapshot (tar.gz zip) |
| parent | 7416722c66e1ff45fb0c47dce1879604b5210a2c | commitdiff |
Fix Ewald 3DC dipole with Verlet scheme
With the Verlet scheme, the dipole for the Ewald 3DC correction was
summed twice over the PP-ranks at non-NS steps, leads to a correction
that was a factor #PP-ranks too high.
Fixes #1916.
Change-Id: Iefda70ea42f1b6a4c6bd4cbc7c0982114282c15c
With the Verlet scheme, the dipole for the Ewald 3DC correction was
summed twice over the PP-ranks at non-NS steps, leads to a correction
that was a factor #PP-ranks too high.
Fixes #1916.
Change-Id: Iefda70ea42f1b6a4c6bd4cbc7c0982114282c15c
| src/gromacs/mdlib/sim_util.c | diffblobblamehistory |