git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5849 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/PERI/fix_peri_neigh.cpp

@@ -240,18 +240,20 @@ void FixPeriNeigh::setup(int vflag)
     }
   }
 
-  // Sanity check: Does any atom appear twice in any neigborlist?
-  // Should only be possible if using pbc and domain not at least of width 2 \delta 
+  // sanity check: does any atom appear twice in any neigborlist?
+  // should only be possible if using pbc and domain < 2*delta 
+
   if (domain->xperiodic || domain->yperiodic || domain->zperiodic) {
     for (i = 0; i < nlocal; i++) {
       jnum = npartner[i];
       for (jj = 0; jj < jnum; jj++) {
         for (int kk = jj+1; kk < jnum; kk++) {
-          if (partner[i][jj] == partner[i][kk]) error->one("Duplicate particle in bond family. Check that box is greater than size 2*delta in periodic dimensions.");
+          if (partner[i][jj] == partner[i][kk])
+	    error->one("Duplicate particle in PeriDynamic bond - "
+		       "simulation box is too small");
         }
       }
     }
-
   }
 
   // compute wvolume for each atom

src/REPLICA/neb.cpp

@@ -192,7 +192,7 @@ void NEB::run()
   update->nsteps = n1steps;
   update->max_eval = n1steps;
   if (update->laststep < 0 || update->laststep > MAXBIGINT)
-    error->all("Too many timesteps");
+    error->all("Too many timesteps for NEB");
 
   update->minimize->setup();
   

src/compute_ti.cpp

@@ -135,7 +135,7 @@ void ComputeTI::init()
 
     } else if (which[m] == KSPACE) {
       if (force->kspace == NULL) 
-	error->all("Compute ti is incompatible with KSpace style");
+	error->all("Compute ti kspace style does not exist");
     }
   }
 }

src/fix_adapt.cpp

@@ -220,7 +220,7 @@ void FixAdapt::init()
 
     } else if (ad->which == KSPACE) {
       if (force->kspace == NULL) 
-	error->all("Fix adapt is incompatible with KSpace style");
+	error->all("Fix adapt kspace style does not exist");
       kspace_scale = (double *) force->kspace->extract("scale");
 
     } else if (ad->which == ATOM) {