From 59971d161674c23109464b21779683cf66da52a5 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 7 May 2014 16:25:27 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11938
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/atom_vec.cpp           | 14 +++++++++++++-
 src/atom_vec.h             |  1 +
 src/atom_vec_body.cpp      |  4 +---
 src/atom_vec_ellipsoid.cpp |  4 +---
 src/atom_vec_line.cpp      |  3 +--
 src/atom_vec_tri.cpp       |  3 +--
 6 files changed, 18 insertions(+), 11 deletions(-)

diff --git a/src/atom_vec.cpp b/src/atom_vec.cpp
index 4825056f75..0fd8043d85 100644
--- a/src/atom_vec.cpp
+++ b/src/atom_vec.cpp
@@ -22,6 +22,7 @@
 using namespace LAMMPS_NS;
 
 #define DELTA 16384
+#define DELTA_BONUS 8192
 
 /* ---------------------------------------------------------------------- */
 
@@ -84,7 +85,7 @@ void AtomVec::init()
 }
 
 /* ----------------------------------------------------------------------
-   grow nmax
+   grow nmax so it is a multiple of DELTA
 ------------------------------------------------------------------------- */
 
 void AtomVec::grow_nmax()
@@ -93,6 +94,17 @@ void AtomVec::grow_nmax()
   nmax += DELTA;
 }
 
+/* ----------------------------------------------------------------------
+   grow nmax_bonus so it is a multiple of DELTA_BONUS
+------------------------------------------------------------------------- */
+
+int AtomVec::grow_nmax_bonus(int nmax_bonus)
+{
+  nmax_bonus = nmax_bonus/DELTA_BONUS * DELTA_BONUS;
+  nmax_bonus += DELTA_BONUS;
+  return nmax_bonus;
+}
+
 /* ----------------------------------------------------------------------
    unpack one line from Velocities section of data file
 ------------------------------------------------------------------------- */
diff --git a/src/atom_vec.h b/src/atom_vec.h
index a6d188d74b..8e9bb0f518 100644
--- a/src/atom_vec.h
+++ b/src/atom_vec.h
@@ -140,6 +140,7 @@ class AtomVec : protected Pointers {
   };
 
   void grow_nmax();
+  int grow_nmax_bonus(int);
 };
 
 }
diff --git a/src/atom_vec_body.cpp b/src/atom_vec_body.cpp
index 6876e13327..d407d5e8c8 100644
--- a/src/atom_vec_body.cpp
+++ b/src/atom_vec_body.cpp
@@ -28,8 +28,6 @@
 
 using namespace LAMMPS_NS;
 
-#define DELTA_BONUS 8192
-
 /* ---------------------------------------------------------------------- */
 
 AtomVecBody::AtomVecBody(LAMMPS *lmp) : AtomVec(lmp)
@@ -159,7 +157,7 @@ void AtomVecBody::grow_reset()
 
 void AtomVecBody::grow_bonus()
 {
-  nmax_bonus += DELTA_BONUS;
+  nmax_bonus = grow_nmax_bonus(nmax_bonus);
   if (nmax_bonus < 0 || nmax_bonus > MAXSMALLINT)
     error->one(FLERR,"Per-processor system is too big");
 
diff --git a/src/atom_vec_ellipsoid.cpp b/src/atom_vec_ellipsoid.cpp
index 317a47ed1f..81e4fbee20 100755
--- a/src/atom_vec_ellipsoid.cpp
+++ b/src/atom_vec_ellipsoid.cpp
@@ -31,8 +31,6 @@
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
-#define DELTA_BONUS 8192
-
 /* ---------------------------------------------------------------------- */
 
 AtomVecEllipsoid::AtomVecEllipsoid(LAMMPS *lmp) : AtomVec(lmp)
@@ -114,7 +112,7 @@ void AtomVecEllipsoid::grow_reset()
 
 void AtomVecEllipsoid::grow_bonus()
 {
-  nmax_bonus += DELTA_BONUS;
+  nmax_bonus = grow_nmax_bonus(nmax_bonus);
   if (nmax_bonus < 0 || nmax_bonus > MAXSMALLINT)
     error->one(FLERR,"Per-processor system is too big");
 
diff --git a/src/atom_vec_line.cpp b/src/atom_vec_line.cpp
index d203ff8f75..6760589ecb 100644
--- a/src/atom_vec_line.cpp
+++ b/src/atom_vec_line.cpp
@@ -26,7 +26,6 @@
 
 using namespace LAMMPS_NS;
 
-#define DELTA_BONUS 10000
 #define EPSILON 0.001
 
 /* ---------------------------------------------------------------------- */
@@ -123,7 +122,7 @@ void AtomVecLine::grow_reset()
 
 void AtomVecLine::grow_bonus()
 {
-  nmax_bonus += DELTA_BONUS;
+  nmax_bonus = grow_nmax_bonus(nmax_bonus);
   if (nmax_bonus < 0 || nmax_bonus > MAXSMALLINT)
     error->one(FLERR,"Per-processor system is too big");
 
diff --git a/src/atom_vec_tri.cpp b/src/atom_vec_tri.cpp
index 10d82a237f..f5f0f55f63 100644
--- a/src/atom_vec_tri.cpp
+++ b/src/atom_vec_tri.cpp
@@ -27,7 +27,6 @@
 
 using namespace LAMMPS_NS;
 
-#define DELTA_BONUS 10000
 #define EPSILON 0.001
 
 /* ---------------------------------------------------------------------- */
@@ -124,7 +123,7 @@ void AtomVecTri::grow_reset()
 
 void AtomVecTri::grow_bonus()
 {
-  nmax_bonus += DELTA_BONUS;
+  nmax_bonus = grow_nmax_bonus(nmax_bonus);
   if (nmax_bonus < 0 || nmax_bonus > MAXSMALLINT)
     error->one(FLERR,"Per-processor system is too big");