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Fixed pbc=xy + 2 walls + Verlet scheme
author
Berk Hess
<hess@kth.se>
Mon, 15 Dec 2014 19:31:44 +0000
(20:31 +0100)
committer
Gerrit Code Review
<gerrit@gerrit.gromacs.org>
Mon, 22 Dec 2014 01:33:41 +0000
(
02:33
+0100)
Fixes #1660.
Change-Id: Id28f5d164c24d9bc6cb80faa8f4cba5e95262995
src/gromacs/mdlib/domdec.c
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diff --git
a/src/gromacs/mdlib/domdec.c
b/src/gromacs/mdlib/domdec.c
index ce88e2e3809aa2c32c208d2be1805fef4f1a97c7..2ebc52e545d9c54ad41c3fbf86bf78c76d1e40fb 100644
(file)
--- a/
src/gromacs/mdlib/domdec.c
+++ b/
src/gromacs/mdlib/domdec.c
@@
-8718,7
+8718,7
@@
static void set_zones_size(gmx_domdec_t *dd,
/* To determine the bounding box for a zone we need to find
* the extreme corners of 4, 2 or 1 corners.
*/
- nc = 1 << (ddbox->n
pbc
dim - 1);
+ nc = 1 << (ddbox->n
bounded
dim - 1);
for (c = 0; c < nc; c++)
{