git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11876 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/MISC/fix_efield.cpp

@@ -259,6 +259,14 @@ void FixEfield::post_force(int vflag)
     memory->create(efield,maxatom,4,"efield:efield");
   }
 
+  // update region if necessary
+
+  Region *region = NULL;
+  if (iregion >= 0) {
+    region = domain->regions[iregion];
+    region->prematch();
+  }
+
   // fsum[0] = "potential energy" for added force
   // fsum[123] = extra force added to atoms
 
@@ -279,9 +287,7 @@ void FixEfield::post_force(int vflag)
     if (qflag) {
       for (int i = 0; i < nlocal; i++)
         if (mask[i] & groupbit) {
-          if (iregion >= 0 &&
+          if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
-              !domain->regions[iregion]->match(x[i][0],x[i][1],x[i][2]))
-            continue;
           fx = q[i]*ex;
           fy = q[i]*ey;
           fz = q[i]*ez;
@@ -306,9 +312,7 @@ void FixEfield::post_force(int vflag)
       double tx,ty,tz;
       for (int i = 0; i < nlocal; i++)
         if (mask[i] & groupbit) {
-          if (iregion >= 0 &&
+          if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
-              !domain->regions[iregion]->match(x[i][0],x[i][1],x[i][2]))
-            continue;
           tx = ez*mu[i][1] - ey*mu[i][2];
           ty = ex*mu[i][2] - ez*mu[i][0];
           tz = ey*mu[i][0] - ex*mu[i][1];
@@ -354,9 +358,7 @@ void FixEfield::post_force(int vflag)
     if (qflag) {
       for (int i = 0; i < nlocal; i++)
         if (mask[i] & groupbit) {
-          if (iregion >= 0 &&
+          if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
-              !domain->regions[iregion]->match(x[i][0],x[i][1],x[i][2]))
-            continue;
           if (xstyle == ATOM) fx = qe2f * q[i]*efield[i][0];
           else fx = q[i]*ex;
           f[i][0] += fx;
@@ -382,9 +384,7 @@ void FixEfield::post_force(int vflag)
       double tx,ty,tz;
       for (int i = 0; i < nlocal; i++)
         if (mask[i] & groupbit) {
-          if (iregion >= 0 &&
+          if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
-              !domain->regions[iregion]->match(x[i][0],x[i][1],x[i][2]))
-            continue;
           tx = ez*mu[i][1] - ey*mu[i][2];
           ty = ex*mu[i][2] - ez*mu[i][0];
           tz = ey*mu[i][0] - ex*mu[i][1];

src/MISC/fix_evaporate.cpp

@@ -185,6 +185,9 @@ void FixEvaporate::pre_exchange()
   // nbefore = # on procs before me
   // list[ncount] = list of local indices of atoms I can delete
 
+  Region *region = domain->regions[iregion];
+  region->prematch();
+
   double **x = atom->x;
   int *mask = atom->mask;
   tagint *tag = atom->tag;
@@ -193,8 +196,7 @@ void FixEvaporate::pre_exchange()
   int ncount = 0;
   for (i = 0; i < nlocal; i++)
     if (mask[i] & groupbit)
-      if (domain->regions[iregion]->match(x[i][0],x[i][1],x[i][2]))
+      if (region->match(x[i][0],x[i][1],x[i][2])) list[ncount++] = i;
-        list[ncount++] = i;
 
   int nall,nbefore;
   MPI_Allreduce(&ncount,&nall,1,MPI_INT,MPI_SUM,world);

src/MISC/fix_oneway.cpp

@@ -89,8 +89,9 @@ void FixOneWay::init()
 void FixOneWay::end_of_step()
 {
   Region *region = domain->regions[regionidx];
-  const int idx = direction & XYZMASK;
+  region->prematch();
 
+  const int idx = direction & XYZMASK;
   const double * const * const x = atom->x;
   double * const * const v = atom->v;
   const int *mask = atom->mask;