simplify by using utils::strdup()

src/compute.cpp

@@ -49,22 +49,15 @@ Compute::Compute(LAMMPS *lmp, int narg, char **arg) :
   // compute ID, group, and style
   // ID must be all alphanumeric chars or underscores
 
-  int n = strlen(arg[0]) + 1;
+  id = utils::strdup(arg[0]);
-  id = new char[n];
+  if (!utils::is_id(id))
-  strcpy(id,arg[0]);
+    error->all(FLERR,"Compute ID must be alphanumeric or underscore characters");
-
-  for (int i = 0; i < n-1; i++)
-    if (!isalnum(id[i]) && id[i] != '_')
-      error->all(FLERR,
-                 "Compute ID must be alphanumeric or underscore characters");
 
   igroup = group->find(arg[1]);
   if (igroup == -1) error->all(FLERR,"Could not find compute group ID");
   groupbit = group->bitmask[igroup];
 
-  n = strlen(arg[2]) + 1;
+  style = utils::strdup(arg[2]);
-  style = new char[n];
-  strcpy(style,arg[2]);
 
   // set child class defaults
 

src/compute_angle_local.cpp

@@ -67,9 +67,7 @@ ComputeAngleLocal::ComputeAngleLocal(LAMMPS *lmp, int narg, char **arg) :
       bstyle[nvalues++] = ENG;
     } else if (strncmp(arg[iarg],"v_",2) == 0) {
       bstyle[nvalues++] = VARIABLE;
-      int n = strlen(arg[iarg]);
+      vstr[nvar] = utils::strdup(&arg[iarg][2]);
-      vstr[nvar] = new char[n];
-      strcpy(vstr[nvar],&arg[iarg][2]);
       nvar++;
     } else break;
   }
@@ -85,9 +83,7 @@ ComputeAngleLocal::ComputeAngleLocal(LAMMPS *lmp, int narg, char **arg) :
       if (iarg+3 > narg) error->all(FLERR,"Illegal compute angle/local command");
       if (strcmp(arg[iarg+1],"theta") == 0) {
         delete [] tstr;
-        int n = strlen(arg[iarg+2]) + 1;
+        tstr = utils::strdup(arg[iarg+2]);
-        tstr = new char[n];
-        strcpy(tstr,arg[iarg+2]);
         tflag = 1;
       } else error->all(FLERR,"Illegal compute angle/local command");
       iarg += 3;

src/compute_angmom_chunk.cpp

@@ -41,9 +41,7 @@ ComputeAngmomChunk::ComputeAngmomChunk(LAMMPS *lmp, int narg, char **arg) :
 
   // ID of compute chunk/atom
 
-  int n = strlen(arg[3]) + 1;
+  idchunk = utils::strdup(arg[3]);
-  idchunk = new char[n];
-  strcpy(idchunk,arg[3]);
 
   init();
 

src/compute_bond_local.cpp

@@ -74,9 +74,7 @@ ComputeBondLocal::ComputeBondLocal(LAMMPS *lmp, int narg, char **arg) :
     else if (strcmp(arg[iarg],"velvib") == 0) bstyle[nvalues++] = VELVIB;
     else if (strncmp(arg[iarg],"v_",2) == 0) {
       bstyle[nvalues++] = VARIABLE;
-      int n = strlen(arg[iarg]);
+      vstr[nvar] = utils::strdup(&arg[iarg][2]);
-      vstr[nvar] = new char[n];
-      strcpy(vstr[nvar],&arg[iarg][2]);
       nvar++;
     } else break;
   }
@@ -92,9 +90,7 @@ ComputeBondLocal::ComputeBondLocal(LAMMPS *lmp, int narg, char **arg) :
       if (iarg+3 > narg) error->all(FLERR,"Illegal compute bond/local command");
       if (strcmp(arg[iarg+1],"dist") == 0) {
         delete [] dstr;
-        int n = strlen(arg[iarg+2]) + 1;
+        dstr = utils::strdup(arg[iarg+2]);
-        dstr = new char[n];
-        strcpy(dstr,arg[iarg+2]);
       } else error->all(FLERR,"Illegal compute bond/local command");
       iarg += 3;
     } else error->all(FLERR,"Illegal compute bond/local command");

src/compute_centroid_stress_atom.cpp

@@ -51,9 +51,7 @@ ComputeCentroidStressAtom::ComputeCentroidStressAtom(LAMMPS *lmp, int narg, char
 
   if (strcmp(arg[3],"NULL") == 0) id_temp = nullptr;
   else {
-    int n = strlen(arg[3]) + 1;
+    id_temp = utils::strdup(arg[3]);
-    id_temp = new char[n];
-    strcpy(id_temp,arg[3]);
 
     int icompute = modify->find_compute(id_temp);
     if (icompute < 0)

src/compute_chunk_atom.cpp

@@ -185,9 +185,7 @@ ComputeChunkAtom::ComputeChunkAtom(LAMMPS *lmp, int narg, char **arg) :
       int iregion = domain->find_region(arg[iarg+1]);
       if (iregion == -1)
         error->all(FLERR,"Region ID for compute chunk/atom does not exist");
-      int n = strlen(arg[iarg+1]) + 1;
+      idregion = utils::strdup(arg[iarg+1]);
-      idregion = new char[n];
-      strcpy(idregion,arg[iarg+1]);
       regionflag = 1;
       iarg += 2;
     } else if (strcmp(arg[iarg],"nchunk") == 0) {

src/compute_chunk_spread_atom.cpp

@@ -36,9 +36,7 @@ ComputeChunkSpreadAtom(LAMMPS *lmp, int narg, char **arg) :
 
   // ID of compute chunk/atom
 
-  int n = strlen(arg[3]) + 1;
+  idchunk = utils::strdup(arg[3]);
-  idchunk = new char[n];
-  strcpy(idchunk,arg[3]);
   init_chunk();
 
   // expand args if any have wildcard character "*"

src/compute_com_chunk.cpp

@@ -43,9 +43,7 @@ ComputeCOMChunk::ComputeCOMChunk(LAMMPS *lmp, int narg, char **arg) :
 
   // ID of compute chunk/atom
 
-  int n = strlen(arg[3]) + 1;
+  idchunk = utils::strdup(arg[3]);
-  idchunk = new char[n];
-  strcpy(idchunk,arg[3]);
 
   init();
 

src/compute_coord_atom.cpp

@@ -85,9 +85,7 @@ ComputeCoordAtom::ComputeCoordAtom(LAMMPS *lmp, int narg, char **arg) :
     cstyle = ORIENT;
     if (narg != 6) error->all(FLERR,"Illegal compute coord/atom command");
 
-    int n = strlen(arg[4]) + 1;
+    id_orientorder = utils::strdup(arg[4]);
-    id_orientorder = new char[n];
-    strcpy(id_orientorder,arg[4]);
 
     int iorientorder = modify->find_compute(id_orientorder);
     if (iorientorder < 0)

src/compute_dihedral_local.cpp

@@ -64,9 +64,7 @@ ComputeDihedralLocal::ComputeDihedralLocal(LAMMPS *lmp, int narg, char **arg) :
       bstyle[nvalues++] = PHI;
     } else if (strncmp(arg[iarg],"v_",2) == 0) {
       bstyle[nvalues++] = VARIABLE;
-      int n = strlen(arg[iarg]);
+      vstr[nvar] = utils::strdup(&arg[iarg][2]);
-      vstr[nvar] = new char[n];
-      strcpy(vstr[nvar],&arg[iarg][2]);
       nvar++;
     } else break;
   }
@@ -83,9 +81,7 @@ ComputeDihedralLocal::ComputeDihedralLocal(LAMMPS *lmp, int narg, char **arg) :
         error->all(FLERR,"Illegal compute dihedral/local command");
       if (strcmp(arg[iarg+1],"phi") == 0) {
         delete [] pstr;
-        int n = strlen(arg[iarg+2]) + 1;
+        pstr = utils::strdup(arg[iarg+2]);
-        pstr = new char[n];
-        strcpy(pstr,arg[iarg+2]);
       } else error->all(FLERR,"Illegal compute dihedral/local command");
       iarg += 3;
     } else error->all(FLERR,"Illegal compute dihedral/local command");

src/compute_dipole_chunk.cpp

@@ -49,9 +49,7 @@ ComputeDipoleChunk::ComputeDipoleChunk(LAMMPS *lmp, int narg, char **arg) :
 
   // ID of compute chunk/atom
 
-  int n = strlen(arg[3]) + 1;
+  idchunk = utils::strdup(arg[3]);
-  idchunk = new char[n];
-  strcpy(idchunk,arg[3]);
 
   usecenter = MASSCENTER;
 

src/compute_displace_atom.cpp

@@ -53,9 +53,7 @@ ComputeDisplaceAtom::ComputeDisplaceAtom(LAMMPS *lmp, int narg, char **arg) :
         error->all(FLERR,"Illegal compute displace/atom command");
       refreshflag = 1;
       delete [] rvar;
-      int n = strlen(arg[iarg+1]) + 1;
+      rvar = utils::strdup(arg[iarg+1]);
-      rvar = new char[n];
-      strcpy(rvar,arg[iarg+1]);
       iarg += 2;
     } else error->all(FLERR,"Illegal compute displace/atom command");
   }
@@ -74,11 +72,9 @@ ComputeDisplaceAtom::ComputeDisplaceAtom(LAMMPS *lmp, int narg, char **arg) :
   // create a new fix STORE style
   // id = compute-ID + COMPUTE_STORE, fix group = compute group
 
-  std::string cmd = id + std::string("_COMPUTE_STORE");
+  id_fix = utils::strdup(std::string(id) + "_COMPUTE_STORE");
-  id_fix = new char[cmd.size()+1];
+  std::string cmd = id_fix + fmt::format(" {} STORE peratom 1 3",
-  strcpy(id_fix,cmd.c_str());
+                                         group->names[igroup]);
-
-  cmd += fmt::format(" {} STORE peratom 1 3", group->names[igroup]);
   modify->add_fix(cmd);
   fix = (FixStore *) modify->fix[modify->nfix-1];
 

src/compute_group_group.cpp

@@ -54,10 +54,7 @@ ComputeGroupGroup::ComputeGroupGroup(LAMMPS *lmp, int narg, char **arg) :
   extscalar = 1;
   extvector = 1;
 
-  int n = strlen(arg[3]) + 1;
+  group2 = utils::strdup(arg[3]);
-  group2 = new char[n];
-  strcpy(group2,arg[3]);
-
   jgroup = group->find(group2);
   if (jgroup == -1)
     error->all(FLERR,"Compute group/group group ID does not exist");

src/compute_gyration_chunk.cpp

@@ -36,9 +36,7 @@ ComputeGyrationChunk::ComputeGyrationChunk(LAMMPS *lmp, int narg, char **arg) :
 
   // ID of compute chunk/atom
 
-  int n = strlen(arg[3]) + 1;
+  idchunk = utils::strdup(arg[3]);
-  idchunk = new char[n];
-  strcpy(idchunk,arg[3]);
 
   init();
 

src/compute_heat_flux.cpp

@@ -43,17 +43,9 @@ ComputeHeatFlux::ComputeHeatFlux(LAMMPS *lmp, int narg, char **arg) :
   // store ke/atom, pe/atom, stress/atom IDs used by heat flux computation
   // insure they are valid for these computations
 
-  int n = strlen(arg[3]) + 1;
+  id_ke = utils::strdup(arg[3]);
-  id_ke = new char[n];
+  id_pe = utils::strdup(arg[4]);
-  strcpy(id_ke,arg[3]);
+  id_stress = utils::strdup(arg[5]);
-
-  n = strlen(arg[4]) + 1;
-  id_pe = new char[n];
-  strcpy(id_pe,arg[4]);
-
-  n = strlen(arg[5]) + 1;
-  id_stress = new char[n];
-  strcpy(id_stress,arg[5]);
 
   int ike = modify->find_compute(id_ke);
   int ipe = modify->find_compute(id_pe);

src/compute_inertia_chunk.cpp

@@ -41,9 +41,7 @@ ComputeInertiaChunk::ComputeInertiaChunk(LAMMPS *lmp, int narg, char **arg) :
 
   // ID of compute chunk/atom
 
-  int n = strlen(arg[3]) + 1;
+  idchunk = utils::strdup(arg[3]);
-  idchunk = new char[n];
-  strcpy(idchunk,arg[3]);
 
   init();
 

src/compute_msd_chunk.cpp

@@ -44,9 +44,7 @@ ComputeMSDChunk::ComputeMSDChunk(LAMMPS *lmp, int narg, char **arg) :
 
   // ID of compute chunk/atom
 
-  int n = strlen(arg[3]) + 1;
+  idchunk = utils::strdup(arg[3]);
-  idchunk = new char[n];
-  strcpy(idchunk,arg[3]);
 
   firstflag = 1;
   init();
@@ -58,11 +56,9 @@ ComputeMSDChunk::ComputeMSDChunk(LAMMPS *lmp, int narg, char **arg) :
   //   potentially re-populate the fix array (and change it to correct size)
   // otherwise size reset and init will be done in setup()
 
-  std::string fixcmd = id + std::string("_COMPUTE_STORE");
+  id_fix = utils::strdup(std::string(id) + "_COMPUTE_STORE");
-  id_fix = new char[fixcmd.size()+1];
+  std::string fixcmd = id_fix
-  strcpy(id_fix,fixcmd.c_str());
+    + fmt::format(" {} STORE global 1 1",group->names[igroup]);
-
-  fixcmd += fmt::format(" {} STORE global 1 1",group->names[igroup]);
   modify->add_fix(fixcmd);
   fix = (FixStore *) modify->fix[modify->nfix-1];
 }

src/compute_omega_chunk.cpp

@@ -45,9 +45,7 @@ ComputeOmegaChunk::ComputeOmegaChunk(LAMMPS *lmp, int narg, char **arg) :
 
   // ID of compute chunk/atom
 
-  int n = strlen(arg[3]) + 1;
+  idchunk = utils::strdup(arg[3]);
-  idchunk = new char[n];
-  strcpy(idchunk,arg[3]);
 
   init();
 

src/compute_pair.cpp

@@ -37,10 +37,10 @@ ComputePair::ComputePair(LAMMPS *lmp, int narg, char **arg) :
   peflag = 1;
   timeflag = 1;
 
-  int n = strlen(arg[3]) + 1;
+  // copy with suffix so we can later chop it off, if needed
-  if (lmp->suffix) n += strlen(lmp->suffix) + 1;
+  if (lmp->suffix)
-  pstyle = new char[n];
+    pstyle = utils::strdup(fmt::format("{}/{}",arg[3],lmp->suffix));
-  strcpy(pstyle,arg[3]);
+  else pstyle = utils::strdup(arg[3]);
 
   int iarg = 4;
   nsub = 0;
@@ -67,8 +67,7 @@ ComputePair::ComputePair(LAMMPS *lmp, int narg, char **arg) :
 
   pair = force->pair_match(pstyle,1,nsub);
   if (!pair && lmp->suffix) {
-    strcat(pstyle,"/");
+    pstyle[strlen(pstyle) - strlen(lmp->suffix) - 1] = '\0';
-    strcat(pstyle,lmp->suffix);
     pair = force->pair_match(pstyle,1,nsub);
   }
 

src/compute_pressure.cpp

@@ -53,9 +53,7 @@ ComputePressure::ComputePressure(LAMMPS *lmp, int narg, char **arg) :
 
   if (strcmp(arg[3],"NULL") == 0) id_temp = nullptr;
   else {
-    int n = strlen(arg[3]) + 1;
+    id_temp = utils::strdup(arg[3]);
-    id_temp = new char[n];
-    strcpy(id_temp,arg[3]);
 
     int icompute = modify->find_compute(id_temp);
     if (icompute < 0)
@@ -82,10 +80,10 @@ ComputePressure::ComputePressure(LAMMPS *lmp, int narg, char **arg) :
     while (iarg < narg) {
       if (strcmp(arg[iarg],"ke") == 0) keflag = 1;
       else if (strcmp(arg[iarg],"pair/hybrid") == 0) {
-        int n = strlen(arg[++iarg]) + 1;
+        if (lmp->suffix)
-        if (lmp->suffix) n += strlen(lmp->suffix) + 1;
+          pstyle = utils::strdup(fmt::format("{}/{}",arg[++iarg],lmp->suffix));
-        pstyle = new char[n];
+        else
-        strcpy(pstyle,arg[iarg++]);
+          pstyle = utils::strdup(arg[++iarg]);
 
         nsub = 0;
 
@@ -102,8 +100,7 @@ ComputePressure::ComputePressure(LAMMPS *lmp, int narg, char **arg) :
 
         pairhybrid = (Pair *) force->pair_match(pstyle,1,nsub);
         if (!pairhybrid && lmp->suffix) {
-          strcat(pstyle,"/");
+          pstyle[strlen(pstyle) - strlen(lmp->suffix) - 1] = '\0';
-          strcat(pstyle,lmp->suffix);
           pairhybrid = (Pair *) force->pair_match(pstyle,1,nsub);
         }
 

src/compute_property_chunk.cpp

@@ -33,9 +33,7 @@ ComputePropertyChunk::ComputePropertyChunk(LAMMPS *lmp, int narg, char **arg) :
 
   // ID of compute chunk/atom
 
-  int n = strlen(arg[3]) + 1;
+  idchunk = utils::strdup(arg[3]);
-  idchunk = new char[n];
-  strcpy(idchunk,arg[3]);
 
   init();
 

src/compute_reduce.cpp

@@ -47,9 +47,7 @@ ComputeReduce::ComputeReduce(LAMMPS *lmp, int narg, char **arg) :
     iregion = domain->find_region(arg[3]);
     if (iregion == -1)
       error->all(FLERR,"Region ID for compute reduce/region does not exist");
-    int n = strlen(arg[3]) + 1;
+    idregion = utils::strdup(arg[3]);
-    idregion = new char[n];
-    strcpy(idregion,arg[3]);
     iarg = 4;
   }
 

src/compute_reduce_chunk.cpp

@@ -45,9 +45,7 @@ ComputeReduceChunk::ComputeReduceChunk(LAMMPS *lmp, int narg, char **arg) :
 
   // ID of compute chunk/atom
 
-  int n = strlen(arg[3]) + 1;
+  idchunk = utils::strdup(arg[3]);
-  idchunk = new char[n];
-  strcpy(idchunk,arg[3]);
   init_chunk();
 
   // mode

src/compute_stress_atom.cpp

@@ -51,9 +51,7 @@ ComputeStressAtom::ComputeStressAtom(LAMMPS *lmp, int narg, char **arg) :
 
   if (strcmp(arg[3],"NULL") == 0) id_temp = nullptr;
   else {
-    int n = strlen(arg[3]) + 1;
+    id_temp = utils::strdup(arg[3]);
-    id_temp = new char[n];
-    strcpy(id_temp,arg[3]);
 
     int icompute = modify->find_compute(id_temp);
     if (icompute < 0)

src/compute_temp_chunk.cpp

@@ -44,9 +44,7 @@ ComputeTempChunk::ComputeTempChunk(LAMMPS *lmp, int narg, char **arg) :
 
   // ID of compute chunk/atom
 
-  int n = strlen(arg[3]) + 1;
+  idchunk = utils::strdup(arg[3]);
-  idchunk = new char[n];
-  strcpy(idchunk,arg[3]);
 
   biasflag = 0;
   init();
@@ -87,9 +85,7 @@ ComputeTempChunk::ComputeTempChunk(LAMMPS *lmp, int narg, char **arg) :
       if (iarg+2 > narg)
         error->all(FLERR,"Illegal compute temp/chunk command");
       biasflag = 1;
-      int n = strlen(arg[iarg+1]) + 1;
+      id_bias = utils::strdup(arg[iarg+1]);
-      id_bias = new char[n];
-      strcpy(id_bias,arg[iarg+1]);
       iarg += 2;
     } else if (strcmp(arg[iarg],"adof") == 0) {
       if (iarg+2 > narg)

src/compute_temp_region.cpp

@@ -36,9 +36,7 @@ ComputeTempRegion::ComputeTempRegion(LAMMPS *lmp, int narg, char **arg) :
   iregion = domain->find_region(arg[3]);
   if (iregion == -1)
     error->all(FLERR,"Region ID for compute temp/region does not exist");
-  int n = strlen(arg[3]) + 1;
+  idregion = utils::strdup(arg[3]);
-  idregion = new char[n];
-  strcpy(idregion,arg[3]);
 
   scalar_flag = vector_flag = 1;
   size_vector = 6;

src/compute_temp_sphere.cpp

@@ -51,9 +51,7 @@ ComputeTempSphere::ComputeTempSphere(LAMMPS *lmp, int narg, char **arg) :
       if (iarg+2 > narg)
         error->all(FLERR,"Illegal compute temp/sphere command");
       tempbias = 1;
-      int n = strlen(arg[iarg+1]) + 1;
+      id_bias = utils::strdup(arg[iarg+1]);
-      id_bias = new char[n];
-      strcpy(id_bias,arg[iarg+1]);
       iarg += 2;
     } else if (strcmp(arg[iarg],"dof") == 0) {
       if (iarg+2 > narg)

src/compute_torque_chunk.cpp

@@ -40,9 +40,7 @@ ComputeTorqueChunk::ComputeTorqueChunk(LAMMPS *lmp, int narg, char **arg) :
 
   // ID of compute chunk/atom
 
-  int n = strlen(arg[3]) + 1;
+  idchunk = utils::strdup(arg[3]);
-  idchunk = new char[n];
-  strcpy(idchunk,arg[3]);
 
   init();
 

src/compute_vcm_chunk.cpp

@@ -41,9 +41,7 @@ ComputeVCMChunk::ComputeVCMChunk(LAMMPS *lmp, int narg, char **arg) :
 
   // ID of compute chunk/atom
 
-  int n = strlen(arg[3]) + 1;
+  idchunk = utils::strdup(arg[3]);
-  idchunk = new char[n];
-  strcpy(idchunk,arg[3]);
 
   init();