From 4a09399dc64ccb802e91ca3cc893b660d85a233d Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sat, 14 Jan 2017 17:13:22 -0500
Subject: [PATCH] during setup, checking timestep doesn't seem to be
sufficient. comparing bins and stencil point, too.
in addition, relevant pointers were not properly initialized to NULL
---
src/npair.cpp | 7 ++++---
1 file changed, 4 insertions(+), 3 deletions(-)
diff --git a/src/npair.cpp b/src/npair.cpp
index 6ea4e62550..7f5956d040 100644
--- a/src/npair.cpp
+++ b/src/npair.cpp
@@ -24,7 +24,8 @@ using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
-NPair::NPair(LAMMPS *lmp) : Pointers(lmp)
+NPair::NPair(LAMMPS *lmp)
+ : Pointers(lmp), nb(NULL), ns(NULL), bins(NULL), stencil(NULL)
{
last_build = -1;
last_copy_bin_setup = last_copy_bin = last_copy_stencil = -1;
@@ -130,11 +131,11 @@ void NPair::build_setup()
copy_bin_setup_info();
last_copy_bin_setup = update->ntimestep;
}
- if (nb && last_copy_bin < nb->last_bin_memory) {
+ if (nb && ((last_copy_bin < nb->last_bin_memory) || (bins != nb->bins))) {
copy_bin_info();
last_copy_bin = update->ntimestep;
}
- if (ns && last_copy_stencil < ns->last_create) {
+ if (ns && ((last_copy_stencil < ns->last_create) || (stencil != ns->stencil))) {
copy_stencil_info();
last_copy_stencil = update->ntimestep;
}
--
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