git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2791 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/neigh_derive.cpp

@@ -71,7 +71,7 @@ void Neighbor::half_from_full_no_newton(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
   }
 
@@ -148,7 +148,7 @@ void Neighbor::half_from_full_newton(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
   }
 
@@ -219,7 +219,7 @@ void Neighbor::skip_from(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
   }
 
@@ -314,7 +314,7 @@ void Neighbor::skip_from_granular(NeighList *list)
     firsttouch[i] = touchptr;
     firstshear[i] = shearptr;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
   }
 
@@ -454,7 +454,7 @@ void Neighbor::skip_from_respa(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
 
     firstneigh_inner[i] = neighptr_inner;

src/neigh_full.cpp

@@ -92,7 +92,7 @@ void Neighbor::full_nsq(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
   }
 
@@ -182,7 +182,7 @@ void Neighbor::full_bin(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
   }
 
@@ -280,7 +280,7 @@ void Neighbor::full_multi(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
   }
 

src/neigh_gran.cpp

@@ -156,7 +156,7 @@ void Neighbor::granular_nsq_no_newton(NeighList *list)
       firstshear[i] = shearptr;
     }
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
   }
 
@@ -253,7 +253,7 @@ void Neighbor::granular_nsq_newton(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
   }
 
@@ -407,7 +407,7 @@ void Neighbor::granular_bin_no_newton(NeighList *list)
       firstshear[i] = shearptr;
     }
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
   }
 
@@ -514,7 +514,7 @@ void Neighbor::granular_bin_newton(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
   }
 
@@ -605,7 +605,7 @@ void Neighbor::granular_bin_newton_tri(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
   }
 

src/neigh_half_bin.cpp

@@ -105,7 +105,7 @@ void Neighbor::half_bin_no_newton(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
   }
 
@@ -219,7 +219,7 @@ void Neighbor::half_bin_newton(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
   }
 
@@ -313,7 +313,7 @@ void Neighbor::half_bin_newton_tri(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
   }
 

src/neigh_half_multi.cpp

@@ -113,7 +113,7 @@ void Neighbor::half_multi_no_newton(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
   }
 
@@ -237,7 +237,7 @@ void Neighbor::half_multi_newton(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
   }
 
@@ -339,7 +339,7 @@ void Neighbor::half_multi_newton_tri(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
   }
 

src/neigh_half_nsq.cpp

@@ -92,7 +92,7 @@ void Neighbor::half_nsq_no_newton(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
   }
 
@@ -190,7 +190,7 @@ void Neighbor::half_nsq_newton(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
   }
 

src/neigh_respa.cpp

@@ -143,7 +143,7 @@ void Neighbor::respa_nsq_no_newton(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
 
     ilist_inner[inum] = i;
@@ -313,7 +313,7 @@ void Neighbor::respa_nsq_newton(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
 
     ilist_inner[inum] = i;
@@ -478,7 +478,7 @@ void Neighbor::respa_bin_no_newton(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
 
     ilist_inner[inum] = i;
@@ -675,7 +675,7 @@ void Neighbor::respa_bin_newton(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
 
     ilist_inner[inum] = i;
@@ -841,7 +841,7 @@ void Neighbor::respa_bin_newton_tri(NeighList *list)
     firstneigh[i] = neighptr;
     numneigh[i] = n;
     npnt += n;
-    if (npnt >= pgsize)
+    if (n > oneatom || npnt >= pgsize)
       error->one("Neighbor list overflow, boost neigh_modify one or page");
 
     ilist_inner[inum] = i;