git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7189 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/MANYBODY/pair_airebo.cpp

@@ -45,6 +45,7 @@ using namespace MathConst;
 PairAIREBO::PairAIREBO(LAMMPS *lmp) : Pair(lmp)
 {
   single_enable = 0;
+  restartinfo = 0;
   one_coeff = 1;
   ghostneigh = 1;
 
@@ -4237,52 +4238,6 @@ void PairAIREBO::spline_init()
   for (i = 2; i < 10; i++) Tf[2][2][i] = -0.0040480;
 }
 
-/* ----------------------------------------------------------------------
-  proc 0 writes to restart file
-------------------------------------------------------------------------- */
-
-void PairAIREBO::write_restart(FILE *fp)
-{
-  write_restart_settings(fp);
-}
-
-/* ----------------------------------------------------------------------
-  proc 0 reads from restart file, bcasts
-------------------------------------------------------------------------- */
-
-void PairAIREBO::read_restart(FILE *fp)
-{
-  read_restart_settings(fp);
-  allocate();
-}
-
-/* ----------------------------------------------------------------------
-  proc 0 writes to restart file
-------------------------------------------------------------------------- */
-
-void PairAIREBO::write_restart_settings(FILE *fp)
-{
-  fwrite(&cutlj,sizeof(double),1,fp);
-  fwrite(&ljflag,sizeof(int),1,fp);
-  fwrite(&torflag,sizeof(int),1,fp);
-}
-
-/* ----------------------------------------------------------------------
-  proc 0 reads from restart file, bcasts
-------------------------------------------------------------------------- */
-
-void PairAIREBO::read_restart_settings(FILE *fp)
-{
-  if (comm->me == 0) {
-    fread(&cutlj,sizeof(double),1,fp);
-    fread(&ljflag,sizeof(int),1,fp);
-    fread(&torflag,sizeof(int),1,fp);
-  }
-  MPI_Bcast(&cutlj,1,MPI_DOUBLE,0,world);
-  MPI_Bcast(&ljflag,1,MPI_INT,0,world);
-  MPI_Bcast(&torflag,1,MPI_INT,0,world);
-}
-
 /* ----------------------------------------------------------------------
    memory usage of local atom-based arrays 
 ------------------------------------------------------------------------- */

src/MANYBODY/pair_airebo.h

@@ -33,10 +33,6 @@ class PairAIREBO : public Pair {
   void coeff(int, char **);
   void init_style();
   double init_one(int, int);
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_restart_settings(FILE *);
-  void read_restart_settings(FILE *);
   double memory_usage();
 
  protected:

src/force.cpp

@@ -166,7 +166,6 @@ Pair *Force::new_pair(const char *style, const char *suffix, int &sflag)
 #undef PAIR_CLASS
 
   else error->all(FLERR,"Invalid pair style");
-
   return NULL;
 }
 

src/pair.cpp

@@ -50,6 +50,7 @@ Pair::Pair(LAMMPS *lmp) : Pointers(lmp)
   comm_forward = comm_reverse = 0;
 
   single_enable = 1;
+  restartinfo = 1;
   respa_enable = 0;
   one_coeff = 0;
   no_virial_fdotr_compute = 0;

src/pair.h

@@ -39,6 +39,7 @@ class Pair : protected Pointers {
   int comm_reverse;              // size of reverse communication (0 if none)
 
   int single_enable;             // 1 if single() routine exists
+  int restartinfo;               // 1 if pair style writes restart info
   int respa_enable;              // 1 if inner/middle/outer rRESPA routines
   int one_coeff;                 // 1 if allows only one coeff * * call
   int no_virial_fdotr_compute;   // 1 if does not invoke virial_fdotr_compute()

src/read_restart.cpp

@@ -737,7 +737,11 @@ void ReadRestart::force_fields()
 
       force->create_pair(style);
       delete [] style;
-      force->pair->read_restart(fp);
+      if (force->pair->restartinfo) force->pair->read_restart(fp);
+      else {
+	delete force->pair;
+	force->pair = NULL;
+      }
 
     } else if (flag == BOND) {
       if (me == 0) fread(&n,sizeof(int),1,fp);