Fix analysis neighborhood search for 2D/screw PBC.
authorTeemu Murtola <teemu.murtola@gmail.com>
Sun, 5 May 2013 03:48:16 +0000 (06:48 +0300)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Thu, 27 Jun 2013 19:27:41 +0000 (21:27 +0200)
commit49ec30f1dcfe46d2d03b92f5d827577123fbe4c0
treed5f5410468c3ec4f54cbf98f1aaf030b507411fc
parentdabd9a3cd69556763be3f559a05d3c67a60ac320
Fix analysis neighborhood search for 2D/screw PBC.

The gridding implementation did not work correctly in these cases, but
could get triggered.  For now, a simple all-pairs search is always used
in these cases.

Related to #866 and #651.

Change-Id: Iad066f3ea5964e97e1a29a0a20c5725f205509c8
src/gromacs/gmxlib/pbc.c
src/gromacs/legacyheaders/types/pbc.h
src/gromacs/selection/nbsearch.cpp
src/gromacs/selection/tests/nbsearch.cpp