From c4c79006a1152ec912268cceef13a0d2e8a61eab Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Tue, 15 Mar 2011 19:40:36 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5791
f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
src/neighbor.cpp | 15 ++++++++++-----
1 file changed, 10 insertions(+), 5 deletions(-)
diff --git a/src/neighbor.cpp b/src/neighbor.cpp
index 7240fde424..bddea6484b 100644
--- a/src/neighbor.cpp
+++ b/src/neighbor.cpp
@@ -201,6 +201,16 @@ void Neighbor::init()
// ------------------------------------------------------------------
// settings
+ // bbox lo/hi = bounding box of entire domain, stored by Domain
+
+ if (triclinic == 0) {
+ bboxlo = domain->boxlo;
+ bboxhi = domain->boxhi;
+ } else {
+ bboxlo = domain->boxlo_bound;
+ bboxhi = domain->boxhi_bound;
+ }
+
// set neighbor cutoffs (force cutoff + skin)
// trigger determines when atoms migrate and neighbor lists are rebuilt
// needs to be non-zero for migration distance check
@@ -1209,7 +1219,6 @@ void Neighbor::build_one(int i)
void Neighbor::setup_bins()
{
- // bbox lo/hi = bounding box of entire domain
// bbox = size of bbox of entire domain
// bsubbox lo/hi = bounding box of my subdomain extended by comm->cutghost
// for triclinic:
@@ -1222,8 +1231,6 @@ void Neighbor::setup_bins()
double *cutghost = comm->cutghost;
if (triclinic == 0) {
- bboxlo = domain->boxlo;
- bboxhi = domain->boxhi;
bsubboxlo[0] = domain->sublo[0] - cutghost[0];
bsubboxlo[1] = domain->sublo[1] - cutghost[1];
bsubboxlo[2] = domain->sublo[2] - cutghost[2];
@@ -1231,8 +1238,6 @@ void Neighbor::setup_bins()
bsubboxhi[1] = domain->subhi[1] + cutghost[1];
bsubboxhi[2] = domain->subhi[2] + cutghost[2];
} else {
- bboxlo = domain->boxlo_bound;
- bboxhi = domain->boxhi_bound;
double lo[3],hi[3];
lo[0] = domain->sublo_lamda[0] - cutghost[0];
lo[1] = domain->sublo_lamda[1] - cutghost[1];
--
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