simplify and modernize code a little

src/atom.cpp

@@ -665,7 +665,7 @@ void Atom::set_atomflag_defaults()
 
 void Atom::create_avec(const std::string &style, int narg, char **arg, int trysuffix)
 {
-  delete [] atom_style;
+  delete[] atom_style;
   if (avec) delete avec;
   atom_style = nullptr;
   avec = nullptr;
@@ -689,11 +689,9 @@ void Atom::create_avec(const std::string &style, int narg, char **arg, int trysu
     std::string estyle = style + "/";
     if (sflag == 1) estyle += lmp->suffix;
     else estyle += lmp->suffix2;
-    atom_style = new char[estyle.size()+1];
+    atom_style = utils::strdup(estyle);
-    strcpy(atom_style,estyle.c_str());
   } else {
-    atom_style = new char[style.size()+1];
+    atom_style = utils::strdup(style);
-    strcpy(atom_style,style.c_str());
   }
 
   // if molecular system:

src/compute_dihedral_local.cpp

@@ -217,7 +217,7 @@ int ComputeDihedralLocal::compute_dihedrals(int flag)
 
   // loop over all atoms and their dihedrals
 
-  m = n = 0;
+  m = 0;
   for (atom2 = 0; atom2 < nlocal; atom2++) {
     if (!(mask[atom2] & groupbit)) continue;
 
@@ -306,7 +306,7 @@ int ComputeDihedralLocal::compute_dihedrals(int flag)
         if (pstr) input->variable->internal_set(pvar,phi);
       }
 
-      for (n = 0; n < nvalues; n++) {
+      for (int n = 0; n < nvalues; n++) {
         switch (bstyle[n]) {
         case PHI:
           ptr[n] = 180.0*phi/MY_PI;

src/compute_pressure.cpp

@@ -237,18 +237,16 @@ double ComputePressure::compute_scalar()
 
   // invoke temperature if it hasn't been already
 
-  double t;
   if (keflag) {
     if (temperature->invoked_scalar != update->ntimestep)
-      t = temperature->compute_scalar();
+      temperature->compute_scalar();
-    else t = temperature->scalar;
   }
 
   if (dimension == 3) {
     inv_volume = 1.0 / (domain->xprd * domain->yprd * domain->zprd);
     virial_compute(3,3);
     if (keflag)
-      scalar = (temperature->dof * boltz * t +
+      scalar = (temperature->dof * boltz * temperature->scalar +
                 virial[0] + virial[1] + virial[2]) / 3.0 * inv_volume * nktv2p;
     else
       scalar = (virial[0] + virial[1] + virial[2]) / 3.0 * inv_volume * nktv2p;
@@ -256,7 +254,7 @@ double ComputePressure::compute_scalar()
     inv_volume = 1.0 / (domain->xprd * domain->yprd);
     virial_compute(2,2);
     if (keflag)
-      scalar = (temperature->dof * boltz * t +
+      scalar = (temperature->dof * boltz * temperature->scalar +
                 virial[0] + virial[1]) / 2.0 * inv_volume * nktv2p;
     else
       scalar = (virial[0] + virial[1]) / 2.0 * inv_volume * nktv2p;

src/compute_temp_deform.cpp

@@ -171,7 +171,7 @@ void ComputeTempDeform::compute_vector()
   double *h_ratelo = domain->h_ratelo;
 
   double massone, t[6];
-  for (int i = 0; i < 6; i++) t[i] = 0.0;
+  for (auto &ti : t) ti = 0.0;
 
   for (int i = 0; i < nlocal; i++)
     if (mask[i] & groupbit) {

src/compute_temp_sphere.cpp

@@ -276,7 +276,7 @@ void ComputeTempSphere::compute_vector()
   // point particles will not contribute rotation due to radius = 0
 
   double massone,inertiaone,t[6];
-  for (int i = 0; i < 6; i++) t[i] = 0.0;
+  for (auto &ti : t) ti = 0.0;
 
   if (mode == ALL) {
     for (int i = 0; i < nlocal; i++)

src/create_atoms.cpp

@@ -176,28 +176,20 @@ void CreateAtoms::command(int narg, char **arg)
     } else if (strcmp(arg[iarg],"var") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal create_atoms command");
       delete [] vstr;
-      int n = strlen(arg[iarg+1]) + 1;
+      vstr = utils::strdup(arg[iarg+1]);
-      vstr = new char[n];
-      strcpy(vstr,arg[iarg+1]);
       varflag = 1;
       iarg += 2;
     } else if (strcmp(arg[iarg],"set") == 0) {
       if (iarg+3 > narg) error->all(FLERR,"Illegal create_atoms command");
       if (strcmp(arg[iarg+1],"x") == 0) {
         delete [] xstr;
-        int n = strlen(arg[iarg+2]) + 1;
+        xstr = utils::strdup(arg[iarg+2]);
-        xstr = new char[n];
-        strcpy(xstr,arg[iarg+2]);
       } else if (strcmp(arg[iarg+1],"y") == 0) {
         delete [] ystr;
-        int n = strlen(arg[iarg+2]) + 1;
+        ystr = utils::strdup(arg[iarg+2]);
-        ystr = new char[n];
-        strcpy(ystr,arg[iarg+2]);
       } else if (strcmp(arg[iarg+1],"z") == 0) {
         delete [] zstr;
-        int n = strlen(arg[iarg+2]) + 1;
+        zstr = utils::strdup(arg[iarg+2]);
-        zstr = new char[n];
-        strcpy(zstr,arg[iarg+2]);
       } else error->all(FLERR,"Illegal create_atoms command");
       iarg += 3;
     } else if (strcmp(arg[iarg],"rotate") == 0) {

src/domain.cpp

@@ -1884,9 +1884,9 @@ void Domain::set_boundary(int narg, char **arg, int flag)
       }
     }
 
-  for (int idim = 0; idim < 3; idim++)
+  for (auto &bdim : boundary)
-    if ((boundary[idim][0] == 0 && boundary[idim][1]) ||
+    if ((bdim[0] == 0 && bdim[1]) ||
-        (boundary[idim][0] && boundary[idim][1] == 0))
+        (bdim[0] && bdim[1] == 0))
       error->all(FLERR,"Both sides of boundary must be periodic");
 
   if (boundary[0][0] == 0) xperiodic = 1;
@@ -1988,12 +1988,12 @@ void Domain::print_box(const std::string &prefix)
 void Domain::boundary_string(char *str)
 {
   int m = 0;
-  for (int idim = 0; idim < 3; idim++) {
+  for (auto &bdim : boundary) {
-    for (int iside = 0; iside < 2; iside++) {
+    for (auto &bside : bdim) {
-      if (boundary[idim][iside] == 0) str[m++] = 'p';
+      if (bside == 0) str[m++] = 'p';
-      else if (boundary[idim][iside] == 1) str[m++] = 'f';
+      else if (bside == 1) str[m++] = 'f';
-      else if (boundary[idim][iside] == 2) str[m++] = 's';
+      else if (bside == 2) str[m++] = 's';
-      else if (boundary[idim][iside] == 3) str[m++] = 'm';
+      else if (bside == 3) str[m++] = 'm';
     }
     str[m++] = ' ';
   }