| commit | d18dc3014c5c968f9a680f0e7707e716eec567ca | |
| author | Berk Hess <hess@kth.se> | |
| Mon, 9 Mar 2015 14:47:49 +0000 (9 15:47 +0100) | ||
| committer | Szilárd Páll <pall.szilard@gmail.com> | |
| Wed, 11 Mar 2015 00:04:40 +0000 (11 01:04 +0100) | ||
| tree | ec9d01382391f9b37175de80cf18bdec8e0354d0 | treesnapshot (tar.gz zip) |
| parent | fdf3b7d136c5638244bd6eadc175a5731682e180 | commitdiff |
Reduced cost of Berendsen pressure coupling
The coordinate and box scaling for Berendsen pressure coupling is now
done only every nstpcouple steps. It now also uses OpenMP threading.
Partially solves #1694
Change-Id: Id6abbb7f60960076e683707277ebbe5ff8e75453
The coordinate and box scaling for Berendsen pressure coupling is now
done only every nstpcouple steps. It now also uses OpenMP threading.
Partially solves #1694
Change-Id: Id6abbb7f60960076e683707277ebbe5ff8e75453
| src/gromacs/mdlib/coupling.cpp | diffblobblamehistory | |
| src/gromacs/mdlib/update.cpp | diffblobblamehistory |