Merge branch 'atomvec-custom' of github.com:lammps/lammps into atomvec-custom

src/USER-OMP/fix_omp.cpp

@@ -351,7 +351,7 @@ void FixOMP::pre_force(int)
   double *drho = atom->drho;
 
 #if defined(_OPENMP)
-#pragma omp parallel LMP_DEFAULT_NONE LMP_SHARED(f,torque,erforce,de,drho)
+#pragma omp parallel LMP_DEFAULT_NONE LMP_SHARED(f,torque,erforce,desph,drho)
 #endif
   {
     const int tid = get_tid();

src/USER-SMD/atom_vec_smd.h

@@ -45,7 +45,7 @@ class AtomVecSMD : public AtomVec {
   void data_atom_post(int);
 
  private:
-  int *molecule;
+  tagint *molecule;
   double *esph,*desph,*vfrac,*rmass,*radius,*contact_radius;
   double *eff_plastic_strain,*eff_plastic_strain_rate,*damage;
   double **x0,**smd_data_9,**smd_stress,**vest;

src/atom_vec.cpp

@@ -2495,18 +2495,18 @@ int AtomVec::process_fields(char *str, const char *default_str, Method *method)
 
     for (match = 0; match < i; match++)
       if (index[i] == index[match]) {
-	char str[128];
-	sprintf(str,"Peratom field %s is repeated",words[i]);
-	error->all(FLERR,str);
+        char str[128];
+        sprintf(str,"Peratom field %s is repeated",words[i]);
+        error->all(FLERR,str);
       }
 
     // error if field is in default str
 
     for (match = 0; match < ndef; match++)
       if (strcmp(words[i],defwords[match]) == 0) {
-	char str[128];
-	sprintf(str,"Peratom field %s is a default",words[i]);
-	error->all(FLERR,str);
+        char str[128];
+        sprintf(str,"Peratom field %s is a default",words[i]);
+        error->all(FLERR,str);
       }
 
   }

src/atom_vec.h

@@ -115,7 +115,7 @@ class AtomVec : protected Pointers {
   virtual void pack_restart_post(int) {}
   virtual void unpack_restart_init(int) {}
 
-  virtual int size_restart_bonus() {}
+  virtual int size_restart_bonus() {return 0;}
   virtual int pack_restart_bonus(int, double *) {return 0;}
   virtual int unpack_restart_bonus(int, double *) {return 0;}
 
@@ -149,7 +149,7 @@ class AtomVec : protected Pointers {
   virtual void pack_property_atom(int, double *, int, int) {}
 
   virtual bigint memory_usage();
-  virtual bigint memory_usage_bonus() {}
+  virtual bigint memory_usage_bonus() {return 0;}
 
  protected:
   int nmax;                    // local copy of atom->nmax