From 43b161eb3398fedce3cc5af0618abe520beae617 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Thu, 25 Oct 2012 16:24:52 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9007
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/RIGID/fix_rigid.cpp | 64 ++++++++---------------------------------
 1 file changed, 12 insertions(+), 52 deletions(-)

diff --git a/src/RIGID/fix_rigid.cpp b/src/RIGID/fix_rigid.cpp
index 5c0a7f816d..32a8b7478d 100644
--- a/src/RIGID/fix_rigid.cpp
+++ b/src/RIGID/fix_rigid.cpp
@@ -695,39 +695,20 @@ void FixRigid::setup(int vflag)
   tagint *image = atom->image;
   double **x = atom->x;
 
-  double xprd = domain->xprd;
-  double yprd = domain->yprd;
-  double zprd = domain->zprd;
-  double xy = domain->xy;
-  double xz = domain->xz;
-  double yz = domain->yz;
+  double dx,dy,dz;
+  double unwrap[3];
 
   for (ibody = 0; ibody < nbody; ibody++)
     for (i = 0; i < 6; i++) sum[ibody][i] = 0.0;
-  int xbox,ybox,zbox;
-  double xunwrap,yunwrap,zunwrap,dx,dy,dz;
 
   for (i = 0; i < nlocal; i++) {
     if (body[i] < 0) continue;
     ibody = body[i];
 
-    xbox = (image[i] & IMGMASK) - IMGMAX;
-    ybox = (image[i] >> IMGBITS & IMGMASK) - IMGMAX;
-    zbox = (image[i] >> IMG2BITS) - IMGMAX;
-
-    if (triclinic == 0) {
-      xunwrap = x[i][0] + xbox*xprd;
-      yunwrap = x[i][1] + ybox*yprd;
-      zunwrap = x[i][2] + zbox*zprd;
-    } else {
-      xunwrap = x[i][0] + xbox*xprd + ybox*xy + zbox*xz;
-      yunwrap = x[i][1] + ybox*yprd + zbox*yz;
-      zunwrap = x[i][2] + zbox*zprd;
-    }
-
-    dx = xunwrap - xcm[ibody][0];
-    dy = yunwrap - xcm[ibody][1];
-    dz = zunwrap - xcm[ibody][2];
+    domain->unmap(x[i],image[i],unwrap);
+    dx = unwrap[0] - xcm[ibody][0];
+    dy = unwrap[1] - xcm[ibody][1];
+    dz = unwrap[2] - xcm[ibody][2];
 
     if (rmass) massone = rmass[i];
     else massone = mass[type[i]];
@@ -929,17 +910,9 @@ void FixRigid::final_integrate()
   double **f = atom->f;
   int nlocal = atom->nlocal;
 
-  double xprd = domain->xprd;
-  double yprd = domain->yprd;
-  double zprd = domain->zprd;
-  if (triclinic) {
-    xy = domain->xy;
-    xz = domain->xz;
-    yz = domain->yz;
-  }
+  double dx,dy,dz;
+  double unwrap[3];
 
-  int xbox,ybox,zbox;
-  double xunwrap,yunwrap,zunwrap,dx,dy,dz;
   for (ibody = 0; ibody < nbody; ibody++)
     for (i = 0; i < 6; i++) sum[ibody][i] = 0.0;
 
@@ -951,23 +924,10 @@ void FixRigid::final_integrate()
     sum[ibody][1] += f[i][1];
     sum[ibody][2] += f[i][2];
 
-    xbox = (image[i] & IMGMASK) - IMGMAX;
-    ybox = (image[i] >> IMGBITS & IMGMASK) - IMGMAX;
-    zbox = (image[i] >> IMG2BITS) - IMGMAX;
-
-    if (triclinic == 0) {
-      xunwrap = x[i][0] + xbox*xprd;
-      yunwrap = x[i][1] + ybox*yprd;
-      zunwrap = x[i][2] + zbox*zprd;
-    } else {
-      xunwrap = x[i][0] + xbox*xprd + ybox*xy + zbox*xz;
-      yunwrap = x[i][1] + ybox*yprd + zbox*yz;
-      zunwrap = x[i][2] + zbox*zprd;
-    }
-
-    dx = xunwrap - xcm[ibody][0];
-    dy = yunwrap - xcm[ibody][1];
-    dz = zunwrap - xcm[ibody][2];
+    domain->unmap(x[i],image[i],unwrap);
+    dx = unwrap[0] - xcm[ibody][0];
+    dy = unwrap[1] - xcm[ibody][1];
+    dz = unwrap[2] - xcm[ibody][2];
 
     sum[ibody][3] += dy*f[i][2] - dz*f[i][1];
     sum[ibody][4] += dz*f[i][0] - dx*f[i][2];