| commit | ef7ed78182ce705956a0f4e10c2bcd150581bc56 | |
| author | Teemu Murtola <teemu.murtola@gmail.com> | |
| Tue, 23 May 2017 05:19:14 +0000 (23 08:19 +0300) | ||
| committer | Teemu Murtola <teemu.murtola@gmail.com> | |
| Wed, 19 Jul 2017 04:39:56 +0000 (19 06:39 +0200) | ||
| tree | fa7fa0396074b49cd9dfa5ca1828d0030125486a | treesnapshot (tar.gz zip) |
| parent | fdb4b6c69bb814cb46698984ddbce4134ed0eb5c | commitdiff |
Prune unnecessary cells in analysis nbsearch
When doing a grid-based neighborhood search, do not compare pairs in
grid cells that are completely outside the cutoff. This excludes up to
40% of the search volume (if the grid cells are much smaller than the
cutoff), but more realistically the speedup is of the order of 10-20%.
Change-Id: Ie8965b001cc20f739432ecdce9011b686c76236a
When doing a grid-based neighborhood search, do not compare pairs in
grid cells that are completely outside the cutoff. This excludes up to
40% of the search volume (if the grid cells are much smaller than the
cutoff), but more realistically the speedup is of the order of 10-20%.
Change-Id: Ie8965b001cc20f739432ecdce9011b686c76236a
| src/gromacs/selection/nbsearch.cpp | diffblobblamehistory |