| commit | 147190eda28c0a9f3cd585ca66568831317ea480 | |
| author | Mark Abraham <mark.j.abraham@gmail.com> | |
| Wed, 6 Jan 2016 18:47:09 +0000 (6 19:47 +0100) | ||
| committer | Gerrit Code Review <gerrit@gerrit.gromacs.org> | |
| Wed, 10 Feb 2016 12:11:40 +0000 (10 13:11 +0100) | ||
| tree | f340a92cedd898afb35581cba7aebaff5912a690 | treesnapshot (tar.gz zip) |
| parent | dc2488c8afd76d67470f40b9a97020c386fe6a8e | commitdiff |
Improved update_coords handling of xprime
state->nalloc can be increased only during DD re-partitioning, so we
only need to check for that when doing a re-partition, rather than
every time we need xprime for an update (at every step).
Change-Id: Ib8cda0fe94e73154aa702be6cd222a561dd93b50
state->nalloc can be increased only during DD re-partitioning, so we
only need to check for that when doing a re-partition, rather than
every time we need xprime for an update (at every step).
Change-Id: Ib8cda0fe94e73154aa702be6cd222a561dd93b50
| src/gromacs/mdlib/update.cpp | diffblobblamehistory | |
| src/gromacs/mdlib/update.h | diffblobblamehistory | |
| src/programs/mdrun/md.cpp | diffblobblamehistory |