git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8188 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/domain.cpp

@@ -1222,6 +1222,26 @@ void Domain::print_box(const char *str)
   }
 }
 
+/* ----------------------------------------------------------------------
+   format boundary string for output
+   assume str is 9 chars or more in length
+------------------------------------------------------------------------- */
+
+void Domain::boundary_string(char *str)
+{
+  int m = 0;
+  for (int idim = 0; idim < 3; idim++) {
+    for (int iside = 0; iside < 2; iside++) {
+      if (boundary[idim][iside] == 0) str[m++] = 'p';
+      else if (boundary[idim][iside] == 1) str[m++] = 'f';
+      else if (boundary[idim][iside] == 2) str[m++] = 's';
+      else if (boundary[idim][iside] == 3) str[m++] = 'm';
+    }
+    str[m++] = ' ';
+  }
+  str[8] = '\0';
+}
+
 /* ----------------------------------------------------------------------
    convert triclinic 0-1 lamda coords to box coords for all N atoms
    x = H lamda + x0;

src/domain.h

@@ -110,6 +110,7 @@ class Domain : protected Pointers {
   int find_region(char *);
   void set_boundary(int, char **, int);
   void print_box(const char *);
+  void boundary_string(char *);
 
   virtual void lamda2x(int);
   virtual void x2lamda(int);

src/dump_atom.cpp

@@ -59,17 +59,7 @@ void DumpAtom::init_style()
 
   // setup boundary string
 
-  int m = 0;
+  domain->boundary_string(boundstr);
-  for (int idim = 0; idim < 3; idim++) {
-    for (int iside = 0; iside < 2; iside++) {
-      if (domain->boundary[idim][iside] == 0) boundstr[m++] = 'p';
-      else if (domain->boundary[idim][iside] == 1) boundstr[m++] = 'f';
-      else if (domain->boundary[idim][iside] == 2) boundstr[m++] = 's';
-      else if (domain->boundary[idim][iside] == 3) boundstr[m++] = 'm';
-    }
-    boundstr[m++] = ' ';
-  }
-  boundstr[8] = '\0';
 
   // setup column string
 

src/dump_custom.cpp

@@ -218,17 +218,7 @@ void DumpCustom::init_style()
 
   // setup boundary string
 
-  int m = 0;
+  domain->boundary_string(boundstr);
-  for (int idim = 0; idim < 3; idim++) {
-    for (int iside = 0; iside < 2; iside++) {
-      if (domain->boundary[idim][iside] == 0) boundstr[m++] = 'p';
-      else if (domain->boundary[idim][iside] == 1) boundstr[m++] = 'f';
-      else if (domain->boundary[idim][iside] == 2) boundstr[m++] = 's';
-      else if (domain->boundary[idim][iside] == 3) boundstr[m++] = 'm';
-    }
-    boundstr[m++] = ' ';
-  }
-  boundstr[8] = '\0';
 
   // setup function ptrs
 

src/lmptype.h

@@ -1,4 +1,4 @@
-/* -*- c++ -*- ----------------------------------------------------------
+/* ----------------------------------------------------------------------
    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
    http://lammps.sandia.gov, Sandia National Laboratories
    Steve Plimpton, sjplimp@sandia.gov

src/neighbor.cpp

@@ -1606,7 +1606,8 @@ void Neighbor::modify_params(int narg, char **arg)
 	error->all(FLERR,"Invalid group ID in neigh_modify command");
       if (includegroup && (atom->firstgroupname == NULL ||
 			    strcmp(arg[iarg+1],atom->firstgroupname) != 0))
-	error->all(FLERR,"Neigh_modify include group != atom_modify first group");
+	error->all(FLERR,
+		   "Neigh_modify include group != atom_modify first group");
       iarg += 2;
     } else if (strcmp(arg[iarg],"exclude") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command");

src/update.cpp

@@ -360,13 +360,17 @@ void Update::reset_timestep(int narg, char **arg)
 
   for (int i = 0; i < output->ndump; i++)
     if (output->last_dump[i] >= 0)
-      error->all(FLERR,"Cannot reset timestep with dump file already written to");
+      error->all(FLERR,
+		 "Cannot reset timestep with dump file already written to");
+
   if (output->restart && output->last_restart >= 0)
-    error->all(FLERR,"Cannot reset timestep with restart file already written");
+    error->all(FLERR,
+	       "Cannot reset timestep with restart file already written");
 
   for (int i = 0; i < modify->nfix; i++)
     if (modify->fix[i]->time_depend)
-      error->all(FLERR,"Cannot reset timestep with a time-dependent fix defined");
+      error->all(FLERR,
+		 "Cannot reset timestep with a time-dependent fix defined");
 
   for (int i = 0; i < domain->nregion; i++)
     if (domain->regions[i]->dynamic_check())