replace a few more cases of atoi()/atof() with utils::*numeric() functions

src/atom.cpp

@@ -1752,7 +1752,7 @@ void Atom::set_mass(const char *file, int line, int /*narg*/, char **arg)
   if (lo < 1 || hi > ntypes) error->all(file,line,"Invalid type for mass set");
 
   for (int itype = lo; itype <= hi; itype++) {
-    mass[itype] = atof(arg[1]);
+    mass[itype] = utils::numeric(FLERR,arg[1],false,lmp);
     mass_setflag[itype] = 1;
 
     if (mass[itype] <= 0.0) error->all(file,line,"Invalid mass value");

src/compute_reduce.cpp

@@ -148,8 +148,8 @@ ComputeReduce::ComputeReduce(LAMMPS *lmp, int narg, char **arg) :
       if (iarg+3 > narg) error->all(FLERR,"Illegal compute reduce command");
       if (mode != MINN && mode != MAXX)
         error->all(FLERR,"Compute reduce replace requires min or max mode");
-      int col1 = atoi(arg[iarg+1]) - 1;
+      int col1 = utils::inumeric(FLERR,arg[iarg+1],false,lmp) - 1;
-      int col2 = atoi(arg[iarg+2]) - 1;
+      int col2 = utils::inumeric(FLERR,arg[iarg+2],false,lmp) - 1;
       if (col1 < 0 || col1 >= nvalues || col2 < 0 || col2 >= nvalues)
         error->all(FLERR,"Illegal compute reduce command");
       if (col1 == col2) error->all(FLERR,"Illegal compute reduce command");

src/fix_property_atom.cpp

@@ -254,13 +254,19 @@ void FixPropertyAtom::read_data_section(char *keyword, int n, char *buf,
 
     if ((m = atom->map(itag)) >= 0) {
       for (j = 0; j < nvalue; j++) {
-        if (style[j] == MOLECULE) atom->molecule[m] = ATOTAGINT(values[j+1]);
+        if (style[j] == MOLECULE) {
-        else if (style[j] == CHARGE) atom->q[m] = atof(values[j+1]);
+          atom->molecule[m] = utils::tnumeric(FLERR,values[j+1],false,lmp);
-        else if (style[j] == RMASS) atom->rmass[m] = atof(values[j+1]);
+        } else if (style[j] == CHARGE) {
-        else if (style[j] == INTEGER)
+          atom->q[m] = utils::numeric(FLERR,values[j+1],false,lmp);
-          atom->ivector[index[j]][m] = atoi(values[j+1]);
+        } else if (style[j] == RMASS) {
-        else if (style[j] == DOUBLE)
+          atom->rmass[m] = utils::numeric(FLERR,values[j+1],false,lmp);
-          atom->dvector[index[j]][m] = atof(values[j+1]);
+        } else if (style[j] == INTEGER) {
+          atom->ivector[index[j]][m] = utils::inumeric(FLERR,values[j+1],
+                                                       false,lmp);
+        } else if (style[j] == DOUBLE) {
+          atom->dvector[index[j]][m] = utils::numeric(FLERR,values[j+1],
+                                                      true,lmp);
+        }
       }
     }
 

src/kspace.cpp

@@ -564,9 +564,9 @@ void KSpace::modify_params(int narg, char **arg)
       iarg += 2;
     } else if (strcmp(arg[iarg],"kmax/ewald") == 0) {
       if (iarg+4 > narg) error->all(FLERR,"Illegal kspace_modify command");
-      kx_ewald = atoi(arg[iarg+1]);
+      kx_ewald = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
-      ky_ewald = atoi(arg[iarg+2]);
+      ky_ewald = utils::inumeric(FLERR,arg[iarg+2],false,lmp);
-      kz_ewald = atoi(arg[iarg+3]);
+      kz_ewald = utils::inumeric(FLERR,arg[iarg+3],false,lmp);
       if (kx_ewald < 0 || ky_ewald < 0 || kz_ewald < 0)
         error->all(FLERR,"Bad kspace_modify kmax/ewald parameter");
       if (kx_ewald > 0 && ky_ewald > 0 && kz_ewald > 0)
@@ -583,15 +583,15 @@ void KSpace::modify_params(int narg, char **arg)
       iarg += 2;
     } else if (strcmp(arg[iarg],"force/disp/real") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command");
-      accuracy_real_6 = atof(arg[iarg+1]);
+      accuracy_real_6 = utils::numeric(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"force/disp/kspace") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command");
-      accuracy_kspace_6 = atof(arg[iarg+1]);
+      accuracy_kspace_6 = utils::numeric(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"eigtol") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command");
-      splittol = atof(arg[iarg+1]);
+      splittol = utils::numeric(FLERR,arg[iarg+1],false,lmp);
       if (splittol >= 1.0)
         error->all(FLERR,"Kspace_modify eigtol must be smaller than one");
       iarg += 2;