simplify by using utils::strdup() and reorder includes

src/ASPHERE/fix_nph_asphere.cpp

@@ -12,10 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nph_asphere.h"
-#include <cstring>
 
-#include "modify.h"
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -36,21 +35,15 @@ FixNPHAsphere::FixNPHAsphere(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   // and thus its KE/temperature contribution should use group all
 
-  std::string tcmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[tcmd.size()+1];
+  modify->add_compute(fmt::format("{} all temp/asphere",id_temp));
-  strcpy(id_temp,tcmd.c_str());
-
-  modify->add_compute(tcmd + " all temp/asphere");
   tcomputeflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  std::string pcmd = id + std::string("_press");
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[pcmd.size()+1];
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcpy(id_press,pcmd.c_str());
-
-  modify->add_compute(pcmd + " all pressure " + std::string(id_temp));
   pcomputeflag = 1;
 }

src/ASPHERE/fix_npt_asphere.cpp

@@ -12,10 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_npt_asphere.h"
-#include <cstring>
 
-#include "modify.h"
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -35,21 +34,15 @@ FixNPTAsphere::FixNPTAsphere(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   // and thus its KE/temperature contribution should use group all
 
-  std::string tcmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[tcmd.size()+1];
+  modify->add_compute(fmt::format("{} all temp/asphere",id_temp));
-  strcpy(id_temp,tcmd.c_str());
-
-  modify->add_compute(tcmd + " all temp/asphere");
   tcomputeflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  std::string pcmd = id + std::string("_press");
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[pcmd.size()+1];
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcpy(id_press,pcmd.c_str());
-
-  modify->add_compute(pcmd + " all pressure " + std::string(id_temp));
   pcomputeflag = 1;
 }

src/ASPHERE/fix_nve_asphere.cpp

@@ -16,10 +16,11 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nve_asphere.h"
-#include "math_extra.h"
+
 #include "atom.h"
 #include "atom_vec_ellipsoid.h"
 #include "error.h"
+#include "math_extra.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

src/ASPHERE/fix_nvt_asphere.cpp

@@ -12,12 +12,10 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nvt_asphere.h"
-#include <cstring>
 
+#include "error.h"
 #include "group.h"
 #include "modify.h"
-#include "error.h"
-
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -35,11 +33,8 @@ FixNVTAsphere::FixNVTAsphere(LAMMPS *lmp, int narg, char **arg) :
   // create a new compute temp style
   // id = fix-ID + temp
 
-  std::string cmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[cmd.size()+1];
+  modify->add_compute(fmt::format("{} {} temp/asphere",
-  strcpy(id_temp,cmd.c_str());
+                                  id_temp,group->names[igroup]));
-
-  cmd += fmt::format(" {} temp/asphere",group->names[igroup]);
-  modify->add_compute(cmd);
   tcomputeflag = 1;
 }

src/BODY/fix_nph_body.cpp

@@ -16,12 +16,12 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nph_body.h"
-#include <cstring>
 
+#include "error.h"
 #include "group.h"
 #include "modify.h"
-#include "error.h"
 
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -41,22 +41,15 @@ FixNPHBody::FixNPHBody(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   // and thus its KE/temperature contribution should use group all
 
-  std::string tcmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[tcmd.size()+1];
+  modify->add_compute(fmt::format("{} all temp/body",id_temp));
-  strcpy(id_temp,tcmd.c_str());
-
-  tcmd += fmt::format(" {} temp/body",group->names[igroup]);
-  modify->add_compute(tcmd);
   tcomputeflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  std::string pcmd = id + std::string("_press");
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[pcmd.size()+1];
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcpy(id_press,pcmd.c_str());
-
-  modify->add_compute(pcmd + " all pressure " + std::string(id_temp));
   pcomputeflag = 1;
 }

src/BODY/fix_npt_body.cpp

@@ -16,12 +16,12 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_npt_body.h"
-#include <cstring>
 
+#include "error.h"
 #include "group.h"
 #include "modify.h"
-#include "error.h"
 
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -41,22 +41,15 @@ FixNPTBody::FixNPTBody(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   // and thus its KE/temperature contribution should use group all
 
-  std::string tcmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[tcmd.size()+1];
+  modify->add_compute(fmt::format("{} all temp/body",id_temp));
-  strcpy(id_temp,tcmd.c_str());
-
-  tcmd += fmt::format(" {} temp/body",group->names[igroup]);
-  modify->add_compute(tcmd);
   tcomputeflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  std::string pcmd = id + std::string("_press");
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[pcmd.size()+1];
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcpy(id_press,pcmd.c_str());
-
-  modify->add_compute(pcmd + " all pressure " + std::string(id_temp));
   pcomputeflag = 1;
 }

src/BODY/fix_nvt_body.cpp

@@ -16,12 +16,12 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nvt_body.h"
-#include <cstring>
 
+#include "error.h"
 #include "group.h"
 #include "modify.h"
-#include "error.h"
 
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -39,11 +39,8 @@ FixNVTBody::FixNVTBody(LAMMPS *lmp, int narg, char **arg) :
   // create a new compute temp style
   // id = fix-ID + temp
 
-  std::string tcmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[tcmd.size()+1];
+  modify->add_compute(fmt::format("{} {} temp/body",
-  strcpy(id_temp,tcmd.c_str());
+                                  id_temp,group->names[igroup]));
-
-  tcmd += fmt::format(" {} temp/body",group->names[igroup]);
-  modify->add_compute(tcmd);
   tcomputeflag = 1;
 }

src/GPU/fix_npt_gpu.cpp

@@ -11,10 +11,10 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "fix_npt_gpu.h"
-#include "modify.h"
+
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -35,7 +35,7 @@ FixNPTGPU::FixNPTGPU(LAMMPS *lmp, int narg, char **arg) :
   // and thus its KE/temperature contribution should use group all
 
   id_temp = utils::strdup(std::string(id)+"_temp");
-  modify->add_compute(std::string(id_temp)+" all temp");
+  modify->add_compute(fmt::format("{} all temp",id_temp));
   tcomputeflag = 1;
 
   // create a new compute pressure style

src/GPU/fix_nvt_gpu.cpp

@@ -11,11 +11,13 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "fix_nvt_gpu.h"
+
+#include "error.h"
 #include "group.h"
 #include "modify.h"
-#include "error.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

src/KOKKOS/fix_nph_kokkos.cpp

@@ -16,8 +16,6 @@
 #include "modify.h"
 #include "error.h"
 
-#include <cstring>
-
 using namespace LAMMPS_NS;
 using namespace FixConst;
 
@@ -39,7 +37,7 @@ FixNPHKokkos<DeviceType>::FixNPHKokkos(LAMMPS *lmp, int narg, char **arg) :
   // and thus its KE/temperature contribution should use group all
 
   this->id_temp = utils::strdup(std::string(this->id) + "_temp");
-  this->modify->add_compute(std::string(this->id_temp)+" all temp/kk");
+  this->modify->add_compute(fmt::format("{} all temp/kk",this->id_temp));
   this->tcomputeflag = 1;
 
   // create a new compute pressure style
@@ -47,8 +45,8 @@ FixNPHKokkos<DeviceType>::FixNPHKokkos(LAMMPS *lmp, int narg, char **arg) :
   // pass id_temp as 4th arg to pressure constructor
 
   this->id_press = utils::strdup(std::string(this->id) + "_press");
-  this->modify->add_compute(std::string(this->id_press)
+  this->modify->add_compute(fmt::format("{} all pressure {}",
-                      +" all pressure "+this->id_temp);
+                                        this->id_press, this->id_temp));
   this->pcomputeflag = 1;
 }
 

src/KOKKOS/fix_npt_kokkos.cpp

@@ -16,8 +16,6 @@
 #include "modify.h"
 #include "error.h"
 
-#include <cstring>
-
 using namespace LAMMPS_NS;
 using namespace FixConst;
 
@@ -39,7 +37,7 @@ FixNPTKokkos<DeviceType>::FixNPTKokkos(LAMMPS *lmp, int narg, char **arg) :
   // and thus its KE/temperature contribution should use group all
 
   this->id_temp = utils::strdup(std::string(this->id) + "_temp");
-  this->modify->add_compute(std::string(this->id_temp)+" all temp/kk");
+  this->modify->add_compute(fmt::format("{} all temp/kk",this->id_temp));
   this->tcomputeflag = 1;
 
   // create a new compute pressure style
@@ -47,8 +45,8 @@ FixNPTKokkos<DeviceType>::FixNPTKokkos(LAMMPS *lmp, int narg, char **arg) :
   // pass id_temp as 4th arg to pressure constructor
 
   this->id_press = utils::strdup(std::string(this->id) + "_press");
-  this->modify->add_compute(std::string(this->id_press)
+  this->modify->add_compute(fmt::format("{} all pressure {}",
-                      +" all pressure "+this->id_temp);
+                                        this->id_press, this->id_temp));
   this->pcomputeflag = 1;
 }
 

src/KOKKOS/fix_nvt_kokkos.cpp

@@ -38,7 +38,7 @@ FixNVTKokkos<DeviceType>::FixNVTKokkos(LAMMPS *lmp, int narg, char **arg) :
   // id = fix-ID + temp
 
   this->id_temp = utils::strdup(std::string(this->id)+"_temp");
-  this->modify->add_compute(std::string(this->id_temp)+" all temp/kk");
+  this->modify->add_compute(fmt::format("{} all temp/kk",this->id_temp));
   this->tcomputeflag = 1;
 }
 

src/MC/fix_bond_swap.cpp

@@ -86,11 +86,8 @@ FixBondSwap::FixBondSwap(LAMMPS *lmp, int narg, char **arg) :
   // create a new compute temp style
   // id = fix-ID + temp, compute group = fix group
 
-  std::string cmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[cmd.size()+1];
+  modify->add_compute(fmt::format("{} all temp",id_temp));
-  strcpy(id_temp,cmd.c_str());
-
-  modify->add_compute(cmd + " all temp");
   tflag = 1;
 
   // initialize atom list

src/RIGID/fix_rigid_nph.cpp

@@ -18,9 +18,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_rigid_nph.h"
-#include <cstring>
+
-#include "modify.h"
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 
@@ -56,7 +56,7 @@ FixRigidNPH::FixRigidNPH(LAMMPS *lmp, int narg, char **arg) :
   //   and thus its KE/temperature contribution should use group all
 
   id_temp = utils::strdup(std::string(id)+"_temp");
-  modify->add_compute(std::string(id_temp)+" all temp");
+  modify->add_compute(fmt::format("{} all temp",id_temp));
   tcomputeflag = 1;
 
   // create a new compute pressure style

src/RIGID/fix_rigid_nph_small.cpp

@@ -18,9 +18,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_rigid_nph_small.h"
-#include <cstring>
+
-#include "modify.h"
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 
@@ -59,7 +59,7 @@ FixRigidNPHSmall::FixRigidNPHSmall(LAMMPS *lmp, int narg, char **arg) :
   //   and thus its KE/temperature contribution should use group all
 
   id_temp = utils::strdup(std::string(id)+"_temp");
-  modify->add_compute(std::string(id_temp)+" all temp");
+  modify->add_compute(fmt::format("{} all temp",id_temp));
   tcomputeflag = 1;
 
   // create a new compute pressure style

src/RIGID/fix_rigid_npt.cpp

@@ -18,9 +18,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_rigid_npt.h"
-#include <cstring>
+
-#include "modify.h"
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 
@@ -66,7 +66,7 @@ FixRigidNPT::FixRigidNPT(LAMMPS *lmp, int narg, char **arg) :
   //   and thus its KE/temperature contribution should use group all
 
   id_temp = utils::strdup(std::string(id)+"_temp");
-  modify->add_compute(std::string(id_temp)+" all temp");
+  modify->add_compute(fmt::format("{} all temp",id_temp));
   tcomputeflag = 1;
 
   // create a new compute pressure style

src/RIGID/fix_rigid_npt_small.cpp

@@ -18,9 +18,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_rigid_npt_small.h"
-#include <cstring>
+
-#include "modify.h"
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 
@@ -70,7 +70,7 @@ FixRigidNPTSmall::FixRigidNPTSmall(LAMMPS *lmp, int narg, char **arg) :
   //   and thus its KE/temperature contribution should use group all
 
   id_temp = utils::strdup(std::string(id)+"_temp");
-  modify->add_compute(std::string(id_temp)+" all temp");
+  modify->add_compute(fmt::format("{} all temp",id_temp));
   tcomputeflag = 1;
 
   // create a new compute pressure style

src/SHOCK/fix_nphug.cpp

@@ -121,7 +121,7 @@ FixNPHug::FixNPHug(LAMMPS *lmp, int narg, char **arg) :
   // and thus its KE/temperature contribution should use group all
 
   id_temp = utils::strdup(std::string(id)+"_temp");
-  modify->add_compute(std::string(id_temp)+" all temp");
+  modify->add_compute(fmt::format("{} all temp",id_temp));
   tcomputeflag = 1;
 
   // create a new compute pressure style
@@ -135,7 +135,7 @@ FixNPHug::FixNPHug(LAMMPS *lmp, int narg, char **arg) :
   // create a new compute potential energy compute
 
   id_pe = utils::strdup(std::string(id)+"_pe");
-  modify->add_compute(std::string(id_pe)+" all pe");
+  modify->add_compute(fmt::format("{} all pe",id_pe));
   peflag = 1;
 }
 

src/USER-BOCS/compute_pressure_bocs.cpp

@@ -59,9 +59,7 @@ ComputePressureBocs::ComputePressureBocs(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)
@@ -446,7 +444,5 @@ void ComputePressureBocs::virial_compute(int n, int ndiag)
 void ComputePressureBocs::reset_extra_compute_fix(const char *id_new)
 {
   delete [] id_temp;
-  int n = strlen(id_new) + 1;
+  id_temp = utils::strdup(id_new);
-  id_temp = new char[n];
-  strcpy(id_temp,id_new);
 }

src/USER-BOCS/fix_bocs.cpp

@@ -16,11 +16,6 @@
 
 #include "fix_bocs.h"
 
-#include <cstring>
-
-#include <cmath>
-#include <vector>
-
 #include "atom.h"
 #include "citeme.h"
 #include "comm.h"
@@ -29,7 +24,6 @@
 #include "domain.h"
 #include "error.h"
 #include "fix_deform.h"
-
 #include "force.h"
 #include "group.h"
 #include "irregular.h"
@@ -40,6 +34,10 @@
 #include "respa.h"
 #include "update.h"
 
+#include <cmath>
+#include <cstring>
+#include <vector>
+
 using namespace LAMMPS_NS;
 using namespace FixConst;
 
@@ -70,7 +68,8 @@ const int NUM_INPUT_DATA_COLUMNS = 2;     // columns in the pressure correction
 
 FixBocs::FixBocs(LAMMPS *lmp, int narg, char **arg) :
   Fix(lmp, narg, arg),
-  rfix(nullptr), id_dilate(nullptr), irregular(nullptr), id_temp(nullptr), id_press(nullptr),
+  rfix(nullptr), id_dilate(nullptr), irregular(nullptr),
+  id_temp(nullptr), id_press(nullptr),
   eta(nullptr), eta_dot(nullptr), eta_dotdot(nullptr),
   eta_mass(nullptr), etap(nullptr), etap_dot(nullptr), etap_dotdot(nullptr),
   etap_mass(nullptr)
@@ -403,38 +402,16 @@ FixBocs::FixBocs(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   // and thus its KE/temperature contribution should use group all
 
-
+  id_temp = utils::strdup(std::string(id)+"_temp");
-  int n = strlen(id) + 6;
+  modify->add_compute(fmt::format("{} all temp",id_temp));
-  id_temp = new char[n];
-  strcpy(id_temp,id);
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "temp";
-
-
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tcomputeflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  n = strlen(id) + 7;
+  id_press = utils::strdup(std::string(id)+"_press");
-  id_press = new char[n];
+  modify->add_compute(fmt::format("{} all PRESSURE/BOCS {}",id_press,id_temp));
-  strcpy(id_press,id);
-  strcat(id_press,"_press");
-
-  newarg = new char*[4];
-  newarg[0] = id_press;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "PRESSURE/BOCS";
-  newarg[3] = id_temp;
-  modify->add_compute(4,newarg);
-  delete [] newarg;
   pcomputeflag = 1;
 
 /*~ MRD End of stuff copied from fix_npt.cpp~*/

src/USER-DPD/fix_rx.cpp

@@ -257,7 +257,6 @@ void FixRX::post_constructor()
   bool match;
 
   char **tmpspecies = new char*[maxspecies];
-  int tmpmaxstrlen = 0;
   for (int jj=0; jj < maxspecies; jj++)
     tmpspecies[jj] = nullptr;
 
@@ -316,9 +315,7 @@ void FixRX::post_constructor()
       if (!match) {
         if (nUniqueSpecies+1>=maxspecies)
           error->all(FLERR,"Exceeded the maximum number of species permitted in fix rx.");
-        tmpspecies[nUniqueSpecies] = new char[strlen(word)+1];
+        tmpspecies[nUniqueSpecies] = utils::strdup(word);
-        strcpy(tmpspecies[nUniqueSpecies],word);
-        tmpmaxstrlen = MAX(tmpmaxstrlen,(int)strlen(word));
         nUniqueSpecies++;
       }
       word = strtok(nullptr, " \t\n\r\f");
@@ -335,61 +332,31 @@ void FixRX::post_constructor()
   id_fix_species = nullptr;
   id_fix_species_old = nullptr;
 
-  n = strlen(id) + strlen("_SPECIES") + 1;
+  id_fix_species = utils::strdup(std::string(id)+"_SPECIES");
-  id_fix_species = new char[n];
+  id_fix_species_old = utils::strdup(std::string(id)+"_SPECIES_OLD");
-  n = strlen(id) + strlen("_SPECIES_OLD") + 1;
-  id_fix_species_old = new char[n];
 
-  strcpy(id_fix_species,id);
+  const std::string fmtstr = "{} {} property/atom ";
-  strcat(id_fix_species,"_SPECIES");
+  auto newcmd1 = fmt::format(fmtstr,id_fix_species,group->names[igroup]);
-  strcpy(id_fix_species_old,id);
+  auto newcmd2 = fmt::format(fmtstr,id_fix_species_old,group->names[igroup]);
-  strcat(id_fix_species_old,"_SPECIES_OLD");
-
-  char **newarg = new char*[nspecies+5];
-  char **newarg2 = new char*[nspecies+5];
-  newarg[0] = id_fix_species;
-  newarg[1] = group->names[igroup];
-  newarg[2] = (char *) "property/atom";
-  newarg2[0] = id_fix_species_old;
-  newarg2[1] = group->names[igroup];
-  newarg2[2] = (char *) "property/atom";
-  char *str1 = new char[tmpmaxstrlen+3];
-  char *str2 = new char[tmpmaxstrlen+6];
   for (int ii=0; ii<nspecies; ii++) {
-    strcpy(str1,"d_");
+    newcmd1 += fmt::format(" d_{}",tmpspecies[ii]);
-    strcpy(str2,"d_");
+    newcmd2 += fmt::format(" d_{}Old",tmpspecies[ii]);
-    strcat(str1,tmpspecies[ii]);
-    strcat(str2,tmpspecies[ii]);
-    strcat(str2,"Old");
-    newarg[ii+3] = new char[strlen(str1)+1];
-    newarg2[ii+3] = new char[strlen(str2)+1];
-    strcpy(newarg[ii+3],str1);
-    strcpy(newarg2[ii+3],str2);
   }
-  delete[] str1;
+  newcmd1 += " ghost yes";
-  delete[] str2;
+  newcmd2 += " ghost yes";
-  newarg[nspecies+3] = (char *) "ghost";
-  newarg[nspecies+4] = (char *) "yes";
-  newarg2[nspecies+3] = (char *) "ghost";
-  newarg2[nspecies+4] = (char *) "yes";
 
-  modify->add_fix(nspecies+5,newarg,1);
+  modify->add_fix(newcmd1);
   fix_species = (FixPropertyAtom *) modify->fix[modify->nfix-1];
   restartFlag = modify->fix[modify->nfix-1]->restart_reset;
 
-  modify->add_fix(nspecies+5,newarg2,1);
+  modify->add_fix(newcmd2);
   fix_species_old = (FixPropertyAtom *) modify->fix[modify->nfix-1];
 
   if (nspecies==0) error->all(FLERR,"There are no rx species specified.");
 
   for (int jj=0;jj<nspecies;jj++) {
     delete[] tmpspecies[jj];
-    delete[] newarg[jj+3];
-    delete[] newarg2[jj+3];
   }
-
-  delete[] newarg;
-  delete[] newarg2;
   delete[] tmpspecies;
 
   read_file( kineticsFile );

src/USER-DPD/pair_exp6_rx.cpp

@@ -596,9 +596,7 @@ void PairExp6rx::coeff(int narg, char **arg)
   if (nspecies==0) error->all(FLERR,"There are no rx species specified.");
   read_file(arg[2]);
 
-  n = strlen(arg[3]) + 1;
+  site1 = utils::strdup(arg[3]);
-  site1 = new char[n];
-  strcpy(site1,arg[3]);
 
   int ispecies;
   for (ispecies = 0; ispecies < nspecies; ispecies++) {
@@ -607,9 +605,7 @@ void PairExp6rx::coeff(int narg, char **arg)
   if (ispecies == nspecies && strcmp(site1,"1fluid") != 0)
     error->all(FLERR,"Site1 name not recognized in pair coefficients");
 
-  n = strlen(arg[4]) + 1;
+  site2 = utils::strdup(arg[4]);
-  site2 = new char[n];
-  strcpy(site2,arg[4]);
 
   for (ispecies = 0; ispecies < nspecies; ispecies++) {
     if (strcmp(site2,&atom->dname[ispecies][0]) == 0) break;
@@ -806,17 +802,12 @@ void PairExp6rx::read_file(char *file)
 
     params[nparams].ispecies = ispecies;
 
-    n = strlen(&atom->dname[ispecies][0]) + 1;
+    params[nparams].name = utils::strdup(&atom->dname[ispecies][0]);
-    params[nparams].name = new char[n];
+    params[nparams].potential = utils::strdup(words[1]);
-    strcpy(params[nparams].name,&atom->dname[ispecies][0]);
-
-    n = strlen(words[1]) + 1;
-    params[nparams].potential = new char[n];
-    strcpy(params[nparams].potential,words[1]);
     if (strcmp(params[nparams].potential,"exp6") == 0) {
-      params[nparams].alpha = atof(words[2]);
+      params[nparams].alpha = utils::numeric(FLERR,words[2],false,lmp);
-      params[nparams].epsilon = atof(words[3]);
+      params[nparams].epsilon = utils::numeric(FLERR,words[3],false,lmp);
-      params[nparams].rm = atof(words[4]);
+      params[nparams].rm = utils::numeric(FLERR,words[4],false,lmp);
       if (params[nparams].epsilon <= 0.0 || params[nparams].rm <= 0.0 ||
           params[nparams].alpha < 0.0)
         error->all(FLERR,"Illegal exp6/rx parameters.  Rm and Epsilon must be greater than zero.  Alpha cannot be negative.");
@@ -842,11 +833,9 @@ void PairExp6rx::read_file2(char *file)
   fp = nullptr;
   if (comm->me == 0) {
     fp = fopen(file,"r");
-    if (fp == nullptr) {
+    if (fp == nullptr)
-      char str[128];
+      error->one(FLERR,fmt::format("Cannot open polynomial file {}: {}",
-      snprintf(str,128,"Cannot open polynomial file %s",file);
+                                   file,utils::getsyserror()));
-      error->one(FLERR,str);
-    }
   }
 
   // one set of params can span multiple lines

src/USER-DPD/pair_multi_lucy_rx.cpp

@@ -387,14 +387,9 @@ void PairMultiLucyRX::coeff(int narg, char **arg)
   bcast_table(tb);
 
   nspecies = atom->nspecies_dpd;
-  int n;
-  n = strlen(arg[4]) + 1;
-  site1 = new char[n];
-  strcpy(site1,arg[4]);
 
-  n = strlen(arg[5]) + 1;
+  site1 = utils::strdup(arg[4]);
-  site2 = new char[n];
+  site2 = utils::strdup(arg[5]);
-  strcpy(site2,arg[5]);
 
   // set table cutoff
 

src/USER-DPD/pair_table_rx.cpp

@@ -322,10 +322,8 @@ void PairTableRX::coeff(int narg, char **arg)
 
   nspecies = atom->nspecies_dpd;
   if (nspecies==0) error->all(FLERR,"There are no rx species specified.");
-  int n;
+
-  n = strlen(arg[4]) + 1;
+  site1 = utils::strdup(arg[4]);
-  site1 = new char[n];
-  strcpy(site1,arg[4]);
 
   int ispecies;
   for (ispecies = 0; ispecies < nspecies; ispecies++) {
@@ -334,9 +332,7 @@ void PairTableRX::coeff(int narg, char **arg)
   if (ispecies == nspecies && strcmp(site1,"1fluid") != 0)
     error->all(FLERR,"Site1 name not recognized in pair coefficients");
 
-  n = strlen(arg[5]) + 1;
+  site2 = utils::strdup(arg[5]);
-  site2 = new char[n];
-  strcpy(site2,arg[5]);
 
   for (ispecies = 0; ispecies < nspecies; ispecies++) {
     if (strcmp(site2,&atom->dname[ispecies][0]) == 0) break;

src/USER-DRUDE/compute_temp_drude.cpp

@@ -13,15 +13,16 @@
 
 #include "compute_temp_drude.h"
 
-#include <cstring>
 #include "atom.h"
-#include "update.h"
+#include "comm.h"
-#include "force.h"
-#include "modify.h"
-#include "fix_drude.h"
 #include "domain.h"
 #include "error.h"
-#include "comm.h"
+#include "fix_drude.h"
+#include "force.h"
+#include "modify.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
@@ -116,9 +117,7 @@ int ComputeTempDrude::modify_param(int narg, char **arg)
   if (strcmp(arg[0],"temp") == 0) {
     if (narg < 2) error->all(FLERR,"Illegal fix_modify command");
     delete [] id_temp;
-    int n = strlen(arg[1]) + 1;
+    id_temp = utils::strdup(arg[1]);
-    id_temp = new char[n];
-    strcpy(id_temp,arg[1]);
 
     int icompute = modify->find_compute(id_temp);
     if (icompute < 0)

src/USER-DRUDE/fix_tgnh_drude.cpp

@@ -16,23 +16,25 @@
 ---------------------------------------------------------------------------------------- */
 
 #include "fix_tgnh_drude.h"
-#include <cstring>
+
-#include <cmath>
 #include "atom.h"
+#include "comm.h"
+#include "compute.h"
+#include "domain.h"
+#include "error.h"
+#include "fix_deform.h"
 #include "force.h"
 #include "group.h"
-#include "comm.h"
-#include "neighbor.h"
 #include "irregular.h"
-#include "modify.h"
-#include "fix_deform.h"
-#include "compute.h"
 #include "kspace.h"
-#include "update.h"
-#include "respa.h"
-#include "domain.h"
 #include "memory.h"
-#include "error.h"
+#include "modify.h"
+#include "neighbor.h"
+#include "respa.h"
+#include "update.h"
+
+#include <cstring>
+#include <cmath>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -1428,9 +1430,7 @@ int FixTGNHDrude::modify_param(int narg, char **arg)
       tcomputeflag = 0;
     }
     delete [] id_temp;
-    int n = strlen(arg[1]) + 1;
+    id_temp = utils::strdup(arg[1]);
-    id_temp = new char[n];
-    strcpy(id_temp,arg[1]);
 
     int icompute = modify->find_compute(arg[1]);
     if (icompute < 0)
@@ -1462,9 +1462,7 @@ int FixTGNHDrude::modify_param(int narg, char **arg)
       pcomputeflag = 0;
     }
     delete [] id_press;
-    int n = strlen(arg[1]) + 1;
+    id_press = utils::strdup(arg[1]);
-    id_press = new char[n];
-    strcpy(id_press,arg[1]);
 
     int icompute = modify->find_compute(arg[1]);
     if (icompute < 0) error->all(FLERR,"Could not find fix_modify pressure ID");

src/USER-DRUDE/fix_tgnpt_drude.cpp

@@ -12,10 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_tgnpt_drude.h"
-#include <cstring>
 
-#include "modify.h"
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -35,23 +34,15 @@ FixTGNPTDrude::FixTGNPTDrude(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   // and thus its KE/temperature contribution should use group all
 
-  std::string tcmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[tcmd.size()+1];
+  modify->add_compute(fmt::format("{} all temp",id_temp));
-  strcpy(id_temp, tcmd.c_str());
-
-  tcmd += " all temp";
-  modify->add_compute(tcmd);
   tcomputeflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  std::string pcmd = id + std::string("_press");
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[pcmd.size()+1];
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcpy(id_press, pcmd.c_str());
-
-  pcmd += " all pressure " + std::string(id_temp);
-  modify->add_compute(pcmd);
   pcomputeflag = 1;
 }

src/USER-DRUDE/fix_tgnvt_drude.cpp

@@ -12,11 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_tgnvt_drude.h"
-#include <cstring>
 
+#include "error.h"
 #include "group.h"
 #include "modify.h"
-#include "error.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -34,11 +35,7 @@ FixTGNVTDrude::FixTGNVTDrude(LAMMPS *lmp, int narg, char **arg) :
   // create a new compute temp style
   // id = fix-ID + temp
 
-  std::string tcmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[tcmd.size()+1];
+  modify->add_compute(fmt::format("{} {} temp",id_temp,group->names[igroup]));
-  strcpy(id_temp, tcmd.c_str());
-
-  tcmd += fmt::format(" {} temp", group->names[igroup]);
-  modify->add_compute(tcmd);
   tcomputeflag = 1;
 }

src/USER-EFF/compute_temp_region_eff.cpp

@@ -16,17 +16,18 @@
 ------------------------------------------------------------------------- */
 
 
-#include <cstring>
-
 #include "compute_temp_region_eff.h"
+
 #include "atom.h"
-#include "update.h"
-#include "force.h"
 #include "domain.h"
-#include "region.h"
+#include "error.h"
+#include "force.h"
 #include "group.h"
 #include "memory.h"
-#include "error.h"
+#include "region.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
@@ -43,9 +44,7 @@ ComputeTempRegionEff::ComputeTempRegionEff(LAMMPS *lmp, int narg, char **arg) :
   iregion = domain->find_region(arg[3]);
   if (iregion == -1)
     error->all(FLERR,"Region ID for compute temp/region/eff 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/USER-EFF/fix_nph_eff.cpp

@@ -11,10 +11,10 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "fix_nph_eff.h"
-#include "modify.h"
+
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -34,35 +34,15 @@ FixNPHEff::FixNPHEff(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   // and thus its KE/temperature contribution should use group all
 
-  int n = strlen(id) + 6;
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[n];
+  modify->add_compute(fmt::format("{} all temp/eff",id_temp));
-  strcpy(id_temp,id);
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "temp/eff";
-
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tcomputeflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  n = strlen(id) + 7;
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[n];
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcpy(id_press,id);
-  strcat(id_press,"_press");
-
-  newarg = new char*[4];
-  newarg[0] = id_press;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "pressure";
-  newarg[3] = id_temp;
-  modify->add_compute(4,newarg);
-  delete [] newarg;
   pcomputeflag = 1;
 }

src/USER-EFF/fix_npt_eff.cpp

@@ -11,10 +11,10 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "fix_npt_eff.h"
-#include "modify.h"
+
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -34,35 +34,15 @@ FixNPTEff::FixNPTEff(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   // and thus its KE/temperature contribution should use group all
 
-  int n = strlen(id) + 6;
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[n];
+  modify->add_compute(fmt::format("{} all temp/eff",id_temp));
-  strcpy(id_temp,id);
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "temp/eff";
-
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tcomputeflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  n = strlen(id) + 7;
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[n];
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcpy(id_press,id);
-  strcat(id_press,"_press");
-
-  newarg = new char*[4];
-  newarg[0] = id_press;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "pressure";
-  newarg[3] = id_temp;
-  modify->add_compute(4,newarg);
-  delete [] newarg;
   pcomputeflag = 1;
 }

src/USER-EFF/fix_nvt_eff.cpp

@@ -11,11 +11,13 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "fix_nvt_eff.h"
+
+#include "error.h"
 #include "group.h"
 #include "modify.h"
-#include "error.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -33,17 +35,8 @@ FixNVTEff::FixNVTEff(LAMMPS *lmp, int narg, char **arg) :
   // create a new compute temp style
   // id = fix-ID + temp
 
-  int n = strlen(id) + 6;
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[n];
+  modify->add_compute(fmt::format("{} {} temp/eff",
-  strcpy(id_temp,id);
+                                  id_temp,group->names[igroup]));
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = group->names[igroup];
-  newarg[2] = (char *) "temp/eff";
-
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tcomputeflag = 1;
 }

src/USER-EFF/fix_nvt_sllod_eff.cpp

@@ -11,19 +11,20 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cmath>
-#include <cstring>
-
 #include "fix_nvt_sllod_eff.h"
-#include "math_extra.h"
+
 #include "atom.h"
+#include "compute.h"
 #include "domain.h"
-#include "group.h"
+#include "error.h"
-#include "modify.h"
 #include "fix.h"
 #include "fix_deform.h"
-#include "compute.h"
+#include "group.h"
-#include "error.h"
+#include "math_extra.h"
+#include "modify.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -45,18 +46,9 @@ FixNVTSllodEff::FixNVTSllodEff(LAMMPS *lmp, int narg, char **arg) :
   // create a new compute temp style
   // id = fix-ID + temp
 
-  int n = strlen(id) + 6;
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[n];
+  modify->add_compute(fmt::format("{} {} tmp/deform/eff",
-  strcpy(id_temp,id);
+                                  id_temp,group->names[igroup]));
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = group->names[igroup];
-  newarg[2] = (char *) "temp/deform/eff";
-
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tcomputeflag = 1;
 }
 

src/USER-EFF/fix_temp_rescale_eff.cpp

@@ -15,18 +15,19 @@
    Contributing author: Andres Jaramillo-Botero
 ------------------------------------------------------------------------- */
 
-#include <cstring>
-
-#include <cmath>
 #include "fix_temp_rescale_eff.h"
+
 #include "atom.h"
-#include "force.h"
-#include "group.h"
-#include "update.h"
 #include "comm.h"
-#include "modify.h"
 #include "compute.h"
 #include "error.h"
+#include "force.h"
+#include "group.h"
+#include "modify.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -56,17 +57,9 @@ FixTempRescaleEff::FixTempRescaleEff(LAMMPS *lmp, int narg, char **arg) :
   // create a new compute temp/eff
   // id = fix-ID + temp, compute group = fix group
 
-  int n = strlen(id) + 6;
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[n];
+  modify->add_compute(fmt::format("{} {} temp/eff",
-  strcpy(id_temp,id);
+                                  id_temp,group->names[igroup]));
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[6];
-  newarg[0] = id_temp;
-  newarg[1] = group->names[igroup];
-  newarg[2] = (char *) "temp/eff";
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tflag = 1;
 
   energy = 0.0;

src/USER-INTEL/fix_npt_intel.cpp

@@ -11,10 +11,10 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "fix_npt_intel.h"
-#include "modify.h"
+
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -25,44 +25,24 @@ FixNPTIntel::FixNPTIntel(LAMMPS *lmp, int narg, char **arg) :
   FixNHIntel(lmp, narg, arg)
 {
   if (!tstat_flag)
-    error->all(FLERR,"Temperature control must be used with fix npt/omp");
+    error->all(FLERR,"Temperature control must be used with fix npt/intel");
   if (!pstat_flag)
-    error->all(FLERR,"Pressure control must be used with fix npt/omp");
+    error->all(FLERR,"Pressure control must be used with fix npt/intl");
 
   // create a new compute temp style
   // id = fix-ID + temp
   // compute group = all since pressure is always global (group all)
   // and thus its KE/temperature contribution should use group all
 
-  int n = strlen(id) + 6;
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[n];
+  modify->add_compute(fmt::format("{} all temp",id_temp));
-  strcpy(id_temp,id);
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "temp";
-
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tcomputeflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  n = strlen(id) + 7;
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[n];
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcpy(id_press,id);
-  strcat(id_press,"_press");
-
-  newarg = new char*[4];
-  newarg[0] = id_press;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "pressure";
-  newarg[3] = id_temp;
-  modify->add_compute(4,newarg);
-  delete [] newarg;
   pcomputeflag = 1;
 }

src/USER-INTEL/fix_nvt_intel.cpp

@@ -11,11 +11,13 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "fix_nvt_intel.h"
+
+#include "error.h"
 #include "group.h"
 #include "modify.h"
-#include "error.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -26,25 +28,15 @@ FixNVTIntel::FixNVTIntel(LAMMPS *lmp, int narg, char **arg) :
   FixNHIntel(lmp, narg, arg)
 {
   if (!tstat_flag)
-    error->all(FLERR,"Temperature control must be used with fix nvt");
+    error->all(FLERR,"Temperature control must be used with fix nvt/intel");
   if (pstat_flag)
-    error->all(FLERR,"Pressure control can not be used with fix nvt");
+    error->all(FLERR,"Pressure control can not be used with fix nvt/intel");
 
   // create a new compute temp style
   // id = fix-ID + temp
 
-  int n = strlen(id) + 6;
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[n];
+  modify->add_compute(fmt::format("{} {} temp",id_temp,group->names[igroup]));
-  strcpy(id_temp,id);
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = group->names[igroup];
-  newarg[2] = (char *) "temp";
-
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tcomputeflag = 1;
 }
 

src/USER-INTEL/fix_nvt_sllod_intel.cpp

@@ -46,18 +46,9 @@ FixNVTSllodIntel::FixNVTSllodIntel(LAMMPS *lmp, int narg, char **arg) :
   // create a new compute temp style
   // id = fix-ID + temp
 
-  int n = strlen(id) + 6;
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[n];
+  modify->add_compute(fmt::format("{} {} temp/deform",
-  strcpy(id_temp,id);
+                                  id_temp,group->names[igroup]));
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = group->names[igroup];
-  newarg[2] = (char *) "temp/deform";
-
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tcomputeflag = 1;
 }
 

src/USER-LB/fix_lb_fluid.cpp

@@ -17,22 +17,22 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_lb_fluid.h"
+
+#include "atom.h"
+#include "comm.h"
+#include "domain.h"
+#include "error.h"
+#include "force.h"
+#include "group.h"
+#include "memory.h"
+#include "modify.h"
+#include "random_mars.h"
+#include "update.h"
+
 #include <cmath>
-
-
 #include <cstring>
 #include <algorithm>
 #include <utility>
-#include "comm.h"
-#include "memory.h"
-#include "error.h"
-#include "domain.h"
-#include "atom.h"
-#include "group.h"
-#include "random_mars.h"
-#include "update.h"
-#include "force.h"
-#include "modify.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

src/USER-MANIFOLD/fix_nvt_manifold_rattle.cpp

@@ -131,24 +131,10 @@ FixNVTManifoldRattle::FixNVTManifoldRattle(LAMMPS *lmp, int narg, char **arg,
   }
 
   // Create temperature compute:
-  const char *fix_id = arg[1];
-  int n = strlen(fix_id)+6;
-  id_temp = new char[n];
-  strcpy(id_temp,fix_id);
-  strcat(id_temp,"_temp");
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = group->names[igroup];
-  newarg[2] = (char*) "temp";
 
-
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  modify->add_compute(3,newarg);
+  modify->add_compute(fmt::format("{} {} temp",id_temp,group->names[igroup]));
-  delete [] newarg;
   int icompute = modify->find_compute(id_temp);
-  if (icompute < 0) {
-    error->all(FLERR,"Temperature ID for fix nvt/manifold/rattle "
-               "does not exist");
-  }
   temperature = modify->compute[icompute];
   if (temperature->tempbias) which = BIAS;
   else                        which = NOBIAS;
@@ -167,8 +153,6 @@ FixNVTManifoldRattle::FixNVTManifoldRattle(LAMMPS *lmp, int narg, char **arg,
   for (int ich = 0; ich < mtchain; ++ich) {
     eta[ich] = eta_dot[ich] = eta_dotdot[ich] = 0.0;
   }
-
-
 }
 
 /* ---------------------------------------------------------------------- */
@@ -185,9 +169,6 @@ FixNVTManifoldRattle::~FixNVTManifoldRattle()
   if (id_temp)    delete[] id_temp;
 }
 
-
-
-
 int FixNVTManifoldRattle::setmask()
 {
   int mask = 0;
@@ -198,7 +179,6 @@ int FixNVTManifoldRattle::setmask()
   return mask;
 }
 
-
 /* --------------------------------------------------------------------------
    Check that force modification happens before position and velocity update.
    Make sure respa is not used.
@@ -219,8 +199,6 @@ void FixNVTManifoldRattle::init()
 
 }
 
-
-
 void FixNVTManifoldRattle::setup(int /*vflag*/)
 {
   compute_temp_target();
@@ -359,9 +337,6 @@ void FixNVTManifoldRattle::nh_v_temp()
   }
 }
 
-
-
-
 // Most of this logic is based on fix_nh:
 void FixNVTManifoldRattle::initial_integrate(int /*vflag*/)
 {
@@ -381,8 +356,6 @@ void FixNVTManifoldRattle::final_integrate()
   nhc_temp_integrate();
 }
 
-
-
 /* ---------------------------------------------------------------------- */
 void FixNVTManifoldRattle::reset_dt()
 {
@@ -395,10 +368,6 @@ void FixNVTManifoldRattle::reset_dt()
 
 }
 
-
-
-
-
 double FixNVTManifoldRattle::memory_usage()
 {
   double bytes = FixNVEManifoldRattle::memory_usage();

src/USER-MISC/fix_grem.cpp

@@ -23,14 +23,16 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_grem.h"
-#include <cstring>
+
 #include "atom.h"
-#include "force.h"
-#include "update.h"
-#include "modify.h"
-#include "domain.h"
 #include "compute.h"
+#include "domain.h"
 #include "error.h"
+#include "force.h"
+#include "modify.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -65,65 +67,28 @@ FixGrem::FixGrem(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   //   and thus its KE/temperature contribution should use group all
 
-  n = strlen(id) + 6;
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[n];
+  modify->add_compute(fmt::format("{} all temp",id_temp));
-  strcpy(id_temp,id);
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "temp";
-  modify->add_compute(3,newarg);
-  delete [] newarg;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  n = strlen(id) + 7;
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[n];
+  modify->add_compute(fmt::format("{} all PRESSURE/GREM {}",
-  strcpy(id_press,id);
+                                  id_press, id_temp));
-  strcat(id_press,"_press");
-
-  newarg = new char*[5];
-  newarg[0] = id_press;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "PRESSURE/GREM";
-  newarg[3] = id_temp;
-  newarg[4] = id;
-  modify->add_compute(5,newarg);
-  delete [] newarg;
 
   // create a new compute ke style
   // id = fix-ID + ke
 
-  n = strlen(id) + 8;
+  id_ke = utils::strdup(std::string(id) + "_ke");
-  id_ke = new char[n];
+  modify->add_compute(fmt::format("{} all ke",id_temp));
-  strcpy(id_ke,id);
-  strcat(id_ke,"_ke");
-
-  newarg = new char*[3];
-  newarg[0] = id_ke;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "ke";
-  modify->add_compute(3,newarg);
-  delete [] newarg;
 
   // create a new compute pe style
   // id = fix-ID + pe
 
-  n = strlen(id) + 9;
+  id_pe = utils::strdup(std::string(id) + "_pe");
-  id_pe = new char[n];
+  modify->add_compute(fmt::format("{} all pe",id_temp));
-  strcpy(id_pe,id);
-  strcat(id_pe,"_pe");
-
-  newarg = new char*[3];
-  newarg[0] = id_pe;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "pe";
-  modify->add_compute(3,newarg);
-  delete [] newarg;
 
   int ifix = modify->find_fix(id_nh);
   if (ifix < 0)

src/USER-MISC/fix_npt_cauchy.cpp

@@ -15,27 +15,28 @@
    Contributing authors:
 ------------------------------------------------------------------------- */
 
-#include <cstring>
-
-#include <cmath>
 #include "fix_npt_cauchy.h"
-#include "math_extra.h"
+
 #include "atom.h"
-#include "force.h"
-#include "group.h"
 #include "comm.h"
-#include "neighbor.h"
+#include "compute.h"
-#include "irregular.h"
+#include "domain.h"
-#include "modify.h"
+#include "error.h"
 #include "fix_deform.h"
 #include "fix_store.h"
-#include "compute.h"
+#include "force.h"
+#include "group.h"
+#include "irregular.h"
 #include "kspace.h"
-#include "update.h"
+#include "math_extra.h"
-#include "respa.h"
-#include "domain.h"
 #include "memory.h"
-#include "error.h"
+#include "modify.h"
+#include "neighbor.h"
+#include "respa.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -53,7 +54,8 @@ enum{ISO,ANISO,TRICLINIC};
 
 FixNPTCauchy::FixNPTCauchy(LAMMPS *lmp, int narg, char **arg) :
   Fix(lmp, narg, arg),
-  rfix(nullptr), id_dilate(nullptr), irregular(nullptr), id_temp(nullptr), id_press(nullptr),
+  rfix(nullptr), id_dilate(nullptr), irregular(nullptr),
+  id_temp(nullptr), id_press(nullptr),
   eta(nullptr), eta_dot(nullptr), eta_dotdot(nullptr),
   eta_mass(nullptr), etap(nullptr), etap_dot(nullptr), etap_dotdot(nullptr),
   etap_mass(nullptr), id_store(nullptr),init_store(nullptr)
@@ -604,36 +606,16 @@ FixNPTCauchy::FixNPTCauchy(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   // and thus its KE/temperature contribution should use group all
 
-  int n = strlen(id) + 6;
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[n];
+  modify->add_compute(fmt::format("{} all temp",id_temp));
-  strcpy(id_temp,id);
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "temp";
-
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tcomputeflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  n = strlen(id) + 7;
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[n];
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcpy(id_press,id);
-  strcat(id_press,"_press");
-
-  newarg = new char*[4];
-  newarg[0] = id_press;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "pressure";
-  newarg[3] = id_temp;
-  modify->add_compute(4,newarg);
-  delete [] newarg;
   pcomputeflag = 1;
 }
 

src/USER-OMP/fix_nph_asphere_omp.cpp

@@ -11,10 +11,10 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "fix_nph_asphere_omp.h"
-#include "modify.h"
+
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -34,35 +34,15 @@ FixNPHAsphereOMP::FixNPHAsphereOMP(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   // and thus its KE/temperature contribution should use group all
 
-  int n = strlen(id) + 6;
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[n];
+  modify->add_compute(fmt::format("{} all temp/asphere",id_temp));
-  strcpy(id_temp,id);
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "temp/asphere";
-
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tcomputeflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  n = strlen(id) + 7;
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[n];
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcpy(id_press,id);
-  strcat(id_press,"_press");
-
-  newarg = new char*[4];
-  newarg[0] = id_press;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "pressure";
-  newarg[3] = id_temp;
-  modify->add_compute(4,newarg);
-  delete [] newarg;
   pcomputeflag = 1;
 }

src/USER-OMP/fix_nph_omp.cpp

@@ -11,10 +11,10 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "fix_nph_omp.h"
-#include "modify.h"
+
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -35,7 +35,7 @@ FixNPHOMP::FixNPHOMP(LAMMPS *lmp, int narg, char **arg) :
   // and thus its KE/temperature contribution should use group all
 
   id_temp = utils::strdup(std::string(id) + "_temp");
-  modify->add_compute(std::string(id_temp)+" all temp");
+  modify->add_compute(fmt::format("{} all temp",id_temp));
   tcomputeflag = 1;
 
   // create a new compute pressure style
@@ -43,6 +43,6 @@ FixNPHOMP::FixNPHOMP(LAMMPS *lmp, int narg, char **arg) :
   // pass id_temp as 4th arg to pressure constructor
 
   id_press = utils::strdup(std::string(id) + "_press");
-  modify->add_compute(std::string(id_press)+" all pressure "+id_temp);
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
   pcomputeflag = 1;
 }

src/USER-OMP/fix_nph_sphere_omp.cpp

@@ -11,10 +11,10 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "fix_nph_sphere_omp.h"
-#include "modify.h"
+
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -34,35 +34,15 @@ FixNPHSphereOMP::FixNPHSphereOMP(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   // and thus its KE/temperature contribution should use group all
 
-  int n = strlen(id) + 6;
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[n];
+  modify->add_compute(fmt::format("{} all temp/sphere",id_temp));
-  strcpy(id_temp,id);
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "temp/sphere";
-
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tcomputeflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  n = strlen(id) + 7;
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[n];
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcpy(id_press,id);
-  strcat(id_press,"_press");
-
-  newarg = new char*[4];
-  newarg[0] = id_press;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "pressure";
-  newarg[3] = id_temp;
-  modify->add_compute(4,newarg);
-  delete [] newarg;
   pcomputeflag = 1;
 }

src/USER-OMP/fix_npt_asphere_omp.cpp

@@ -11,10 +11,10 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "fix_npt_asphere_omp.h"
-#include "modify.h"
+
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -34,35 +34,15 @@ FixNPTAsphereOMP::FixNPTAsphereOMP(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   // and thus its KE/temperature contribution should use group all
 
-  int n = strlen(id) + 6;
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[n];
+  modify->add_compute(fmt::format("{} all temp/asphere",id_temp));
-  strcpy(id_temp,id);
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "temp/asphere";
-
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tcomputeflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  n = strlen(id) + 7;
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[n];
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcpy(id_press,id);
-  strcat(id_press,"_press");
-
-  newarg = new char*[4];
-  newarg[0] = id_press;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "pressure";
-  newarg[3] = id_temp;
-  modify->add_compute(4,newarg);
-  delete [] newarg;
   pcomputeflag = 1;
 }

src/USER-OMP/fix_npt_omp.cpp

@@ -11,10 +11,10 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "fix_npt_omp.h"
-#include "modify.h"
+
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -35,7 +35,7 @@ FixNPTOMP::FixNPTOMP(LAMMPS *lmp, int narg, char **arg) :
   // and thus its KE/temperature contribution should use group all
 
   id_temp = utils::strdup(std::string(id) + "_temp");
-  modify->add_compute(std::string(id_temp)+" all temp");
+  modify->add_compute(fmt::format("{} all temp",id_temp));
   tcomputeflag = 1;
 
   // create a new compute pressure style
@@ -43,6 +43,6 @@ FixNPTOMP::FixNPTOMP(LAMMPS *lmp, int narg, char **arg) :
   // pass id_temp as 4th arg to pressure constructor
 
   id_press = utils::strdup(std::string(id) + "_press");
-  modify->add_compute(std::string(id_press)+" all pressure "+id_temp);
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
   pcomputeflag = 1;
 }

src/USER-OMP/fix_npt_sphere_omp.cpp

@@ -11,10 +11,10 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "fix_npt_sphere_omp.h"
-#include "modify.h"
+
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -34,35 +34,15 @@ FixNPTSphereOMP::FixNPTSphereOMP(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   // and thus its KE/temperature contribution should use group all
 
-  int n = strlen(id) + 6;
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[n];
+  modify->add_compute(fmt::format("{} all temp/sphere",id_temp));
-  strcpy(id_temp,id);
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "temp/sphere";
-
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tcomputeflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  n = strlen(id) + 7;
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[n];
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcpy(id_press,id);
-  strcat(id_press,"_press");
-
-  newarg = new char*[4];
-  newarg[0] = id_press;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "pressure";
-  newarg[3] = id_temp;
-  modify->add_compute(4,newarg);
-  delete [] newarg;
   pcomputeflag = 1;
 }

src/USER-OMP/fix_nvt_asphere_omp.cpp

@@ -33,17 +33,8 @@ FixNVTAsphereOMP::FixNVTAsphereOMP(LAMMPS *lmp, int narg, char **arg) :
   // create a new compute temp style
   // id = fix-ID + temp
 
-  int n = strlen(id) + 6;
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[n];
+  modify->add_compute(fmt::format("{} {} temp/asphere",
-  strcpy(id_temp,id);
+                                  id_temp,group->names[igroup]));
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = group->names[igroup];
-  newarg[2] = (char *) "temp/asphere";
-
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tcomputeflag = 1;
 }

src/USER-OMP/fix_nvt_omp.cpp

@@ -11,11 +11,13 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "fix_nvt_omp.h"
+
+#include "error.h"
 #include "group.h"
 #include "modify.h"
-#include "error.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

src/USER-OMP/fix_nvt_sllod_omp.cpp

@@ -15,18 +15,21 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "fix_nvt_sllod_omp.h"
-#include <cstring>
+
-#include "math_extra.h"
 #include "atom.h"
-#include "group.h"
+#include "compute.h"
-#include "modify.h"
+#include "domain.h"
+#include "error.h"
 #include "fix.h"
 #include "fix_deform.h"
-#include "compute.h"
+#include "group.h"
-#include "error.h"
+#include "math_extra.h"
-#include "domain.h"
+#include "modify.h"
+
+#include <cstring>
+
+#include "omp_compat.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -51,18 +54,9 @@ FixNVTSllodOMP::FixNVTSllodOMP(LAMMPS *lmp, int narg, char **arg) :
   // create a new compute temp style
   // id = fix-ID + temp
 
-  int n = strlen(id) + 6;
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[n];
+  modify->add_compute(fmt::format("{} {} temp/deform",
-  strcpy(id_temp,id);
+                                  id_temp,group->names[igroup]));
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = group->names[igroup];
-  newarg[2] = (char *) "temp/deform";
-
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tcomputeflag = 1;
 }
 
@@ -82,7 +76,7 @@ void FixNVTSllodOMP::init()
 
   int i;
   for (i = 0; i < modify->nfix; i++)
-    if (strncmp(modify->fix[i]->style,"deform",6) == 0) {
+    if (utils::strmatch(modify->fix[i]->style,"^deform")) {
       if (((FixDeform *) modify->fix[i])->remapflag != Domain::V_REMAP)
         error->all(FLERR,"Using fix nvt/sllod/omp with inconsistent fix "
                    "deform remap option");

src/USER-OMP/fix_nvt_sphere_omp.cpp

@@ -11,11 +11,11 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "fix_nvt_sphere_omp.h"
+
+#include "error.h"
 #include "group.h"
 #include "modify.h"
-#include "error.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -33,17 +33,8 @@ FixNVTSphereOMP::FixNVTSphereOMP(LAMMPS *lmp, int narg, char **arg) :
   // create a new compute temp style
   // id = fix-ID + temp
 
-  int n = strlen(id) + 6;
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[n];
+  modify->add_compute(fmt::format("{} {} temp/sphere",
-  strcpy(id_temp,id);
+                                  id_temp,group->names[igroup]));
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = group->names[igroup];
-  newarg[2] = (char *) "temp/sphere";
-
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tcomputeflag = 1;
 }

src/USER-OMP/fix_rigid_nph_omp.cpp

@@ -18,9 +18,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_rigid_nph_omp.h"
-#include <cstring>
+
-#include "modify.h"
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 
@@ -57,34 +57,15 @@ FixRigidNPHOMP::FixRigidNPHOMP(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   //   and thus its KE/temperature contribution should use group all
 
-  int n = strlen(id) + 6;
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[n];
+  modify->add_compute(fmt::format("{} all temp",id_temp));
-  strcpy(id_temp,id);
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "temp";
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tcomputeflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  n = strlen(id) + 7;
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[n];
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcpy(id_press,id);
-  strcat(id_press,"_press");
-
-  newarg = new char*[4];
-  newarg[0] = id_press;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "pressure";
-  newarg[3] = id_temp;
-  modify->add_compute(4,newarg);
-  delete [] newarg;
   pcomputeflag = 1;
 }

src/USER-OMP/fix_rigid_npt_omp.cpp

@@ -18,9 +18,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_rigid_npt_omp.h"
-#include <cstring>
+
-#include "modify.h"
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 
@@ -69,34 +69,15 @@ FixRigidNPTOMP::FixRigidNPTOMP(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   // and thus its KE/temperature contribution should use group all
 
-  int n = strlen(id) + 6;
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[n];
+  modify->add_compute(fmt::format("{} all temp",id_temp));
-  strcpy(id_temp,id);
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "temp";
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tcomputeflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  n = strlen(id) + 7;
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[n];
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcpy(id_press,id);
-  strcat(id_press,"_press");
-
-  newarg = new char*[4];
-  newarg[0] = id_press;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "pressure";
-  newarg[3] = id_temp;
-  modify->add_compute(4,newarg);
-  delete [] newarg;
   pcomputeflag = 1;
 }

src/USER-QTB/fix_qbmsst.cpp

@@ -18,9 +18,6 @@
 
 #include "fix_qbmsst.h"
 
-#include <cmath>
-#include <cstring>
-
 #include "atom.h"
 #include "force.h"
 #include "update.h"
@@ -34,6 +31,9 @@
 #include "kspace.h"
 #include "math_const.h"
 
+#include <cmath>
+#include <cstring>
+
 using namespace LAMMPS_NS;
 using namespace FixConst;
 using namespace MathConst;
@@ -204,45 +204,23 @@ FixQBMSST::FixQBMSST(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
   // id = fix-ID + temp
   // compute group = all since pressure is always global (group all)
   //   and thus its KE/temperature contribution should use group all
-  int n = strlen(id) + 6;
+
-  id_temp = new char[n];
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  strcpy(id_temp,id);
+  modify->add_compute(fmt::format("{} all temp",id_temp));
-  strcat(id_temp,"_temp");
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = const_cast<char *>("all");
-  newarg[2] = const_cast<char *>("temp");
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
-  n = strlen(id) + 7;
+
-  id_press = new char[n];
+  id_press = utils::strdup(std::string(id) + "_press");
-  strcpy(id_press,id);
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcat(id_press,"_press");
-  newarg = new char*[4];
-  newarg[0] = id_press;
-  newarg[1] = const_cast<char *>("all");
-  newarg[2] = const_cast<char *>("pressure");
-  newarg[3] = id_temp;
-  modify->add_compute(4,newarg);
-  delete [] newarg;
   pflag = 1;
 
   // create a new compute potential energy compute
-  n = strlen(id) + 3;
+
-  id_pe = new char[n];
+  id_pe = utils::strdup(std::string(id) + "_pe");
-  strcpy(id_pe,id);
+  modify->add_compute(fmt::format("{} all pe",id_temp));
-  strcat(id_pe,"_pe");
-  newarg = new char*[3];
-  newarg[0] = id_pe;
-  newarg[1] = (char*)"all";
-  newarg[2] = (char*)"pe";
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   peflag = 1;
 
   // allocate qbmsst

src/USER-UEF/fix_nh_uef.cpp

@@ -14,24 +14,26 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nh_uef.h"
-#include <cstring>
+
-#include <cmath>
 #include "atom.h"
-#include "force.h"
-#include "comm.h"
 #include "citeme.h"
-#include "irregular.h"
+#include "comm.h"
-#include "modify.h"
 #include "compute.h"
-#include "update.h"
-#include "domain.h"
-#include "error.h"
-#include "output.h"
-#include "timer.h"
-#include "neighbor.h"
 #include "compute_pressure_uef.h"
 #include "compute_temp_uef.h"
+#include "domain.h"
+#include "error.h"
+#include "force.h"
+#include "irregular.h"
+#include "modify.h"
+#include "neighbor.h"
+#include "output.h"
+#include "timer.h"
 #include "uef_utils.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -179,29 +181,12 @@ FixNHUef::FixNHUef(LAMMPS *lmp, int narg, char **arg) :
 
   // Create temp and pressure computes for nh/uef
 
-  int n = strlen(id) + 6;
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[n];
+  modify->add_compute(fmt::format("{} all temp/uef",id_temp));
-  strcpy(id_temp,id);
-  strcat(id_temp,"_temp");
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "temp/uef";
-  modify->add_compute(3,newarg);
-  delete [] newarg;
   tcomputeflag = 1;
 
-  n = strlen(id) + 7;
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[n];
+  modify->add_compute(fmt::format("{} all pressure/uef {}",id_press, id_temp));
-  strcpy(id_press,id);
-  strcat(id_press,"_press");
-  newarg = new char*[4];
-  newarg[0] = id_press;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "pressure/uef";
-  newarg[3] = id_temp;
-  modify->add_compute(4,newarg);
-  delete [] newarg;
   pcomputeflag = 1;
 
   nevery = 1;
@@ -214,8 +199,7 @@ FixNHUef::FixNHUef(LAMMPS *lmp, int narg, char **arg) :
 FixNHUef::~FixNHUef()
 {
   delete uefbox;
-  if (pcomputeflag && !pstat_flag)
+  if (pcomputeflag && !pstat_flag)  {
-  {
     modify->delete_compute(id_press);
     delete [] id_press;
   }

src/VORONOI/compute_voronoi_atom.cpp

@@ -80,9 +80,7 @@ ComputeVoronoi::ComputeVoronoi(LAMMPS *lmp, int narg, char **arg) :
     else if (strcmp(arg[iarg], "radius") == 0) {
       if (iarg + 2 > narg || strstr(arg[iarg+1],"v_") != arg[iarg+1] )
         error->all(FLERR,"Illegal compute voronoi/atom command");
-      int n = strlen(&arg[iarg+1][2]) + 1;
+      radstr = utils::strdup(&arg[iarg+1][2]);
-      radstr = new char[n];
-      strcpy(radstr,&arg[iarg+1][2]);
       iarg += 2;
     }
     else if (strcmp(arg[iarg], "surface") == 0) {

src/fix_box_relax.cpp

@@ -16,20 +16,20 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_box_relax.h"
-#include <cmath>
-#include <cstring>
 
 #include "atom.h"
-#include "domain.h"
-#include "update.h"
 #include "comm.h"
+#include "compute.h"
+#include "domain.h"
+#include "error.h"
 #include "force.h"
 #include "kspace.h"
-#include "modify.h"
-#include "compute.h"
-#include "error.h"
 #include "math_extra.h"
+#include "modify.h"
+#include "update.h"
 
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -319,24 +319,17 @@ FixBoxRelax::FixBoxRelax(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   //   and thus its KE/temperature contribution should use group all
 
-  std::string tcmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[tcmd.size()+1];
+  modify->add_compute(fmt::format("{} all temp",id_temp));
-  strcpy(id_temp,tcmd.c_str());
-
-  tcmd += " all temp";
-  modify->add_compute(tcmd);
   tflag = 1;
 
   // create a new compute pressure style (virial only)
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  std::string pcmd = id + std::string("_press");
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[pcmd.size()+1];
+  modify->add_compute(fmt::format("{} all pressure {} virial",
-  strcpy(id_press,pcmd.c_str());
+                                  id_press, id_temp));
-
-  pcmd += " all pressure " + std::string(id_temp) + " virial";
-  modify->add_compute(pcmd);
   pflag = 1;
 
   dimension = domain->dimension;

src/fix_nph.cpp

@@ -12,10 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nph.h"
-#include <cstring>
 
-#include "modify.h"
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -35,23 +34,15 @@ FixNPH::FixNPH(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   // and thus its KE/temperature contribution should use group all
 
-  std::string tcmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[tcmd.size()+1];
+  modify->add_compute(fmt::format("{} all temp",id_temp));
-  strcpy(id_temp,tcmd.c_str());
-
-  tcmd += " all temp";
-  modify->add_compute(tcmd);
   tcomputeflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  std::string pcmd = id + std::string("_press");
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[pcmd.size()+1];
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcpy(id_press,pcmd.c_str());
-
-  pcmd += " all pressure " + std::string(id_temp);
-  modify->add_compute(pcmd);
   pcomputeflag = 1;
 }

src/fix_nph_sphere.cpp

@@ -12,10 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nph_sphere.h"
-#include <cstring>
 
-#include "modify.h"
 #include "error.h"
+#include "modify.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -35,21 +36,15 @@ FixNPHSphere::FixNPHSphere(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   // and thus its KE/temperature contribution should use group all
 
-  std::string tcmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[tcmd.size()+1];
+  modify->add_compute(fmt::format("{} all temp/sphere",id_temp));
-  strcpy(id_temp,tcmd.c_str());
-
-  modify->add_compute(tcmd + " all temp/sphere");
   tcomputeflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  std::string pcmd = id + std::string("_press");
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[pcmd.size()+1];
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcpy(id_press,pcmd.c_str());
-
-  modify->add_compute(pcmd + " all pressure " + std::string(id_temp));
   pcomputeflag = 1;
 }

src/fix_npt.cpp

@@ -12,10 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_npt.h"
-#include <cstring>
 
-#include "modify.h"
 #include "error.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -35,23 +34,15 @@ FixNPT::FixNPT(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   // and thus its KE/temperature contribution should use group all
 
-  std::string tcmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[tcmd.size()+1];
+  modify->add_compute(fmt::format("{} all temp",id_temp));
-  strcpy(id_temp,tcmd.c_str());
-
-  tcmd += " all temp";
-  modify->add_compute(tcmd);
   tcomputeflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  std::string pcmd = id + std::string("_press");
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[pcmd.size()+1];
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcpy(id_press,pcmd.c_str());
-
-  pcmd += " all pressure " + std::string(id_temp);
-  modify->add_compute(pcmd);
   pcomputeflag = 1;
 }

src/fix_npt_sphere.cpp

@@ -12,10 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_npt_sphere.h"
-#include <cstring>
 
-#include "modify.h"
 #include "error.h"
+#include "modify.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -35,21 +36,15 @@ FixNPTSphere::FixNPTSphere(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   // and thus its KE/temperature contribution should use group all
 
-  std::string tcmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[tcmd.size()+1];
+  modify->add_compute(fmt::format("{} all temp/sphere",id_temp));
-  strcpy(id_temp,tcmd.c_str());
-
-  modify->add_compute(tcmd + " all temp/sphere");
   tcomputeflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  std::string pcmd = id + std::string("_press");
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[pcmd.size()+1];
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcpy(id_press,pcmd.c_str());
-
-  modify->add_compute(pcmd + " all pressure " + std::string(id_temp));
   pcomputeflag = 1;
 }

src/fix_nve.cpp

@@ -12,12 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nve.h"
-#include <cstring>
+
 #include "atom.h"
-#include "force.h"
-#include "update.h"
-#include "respa.h"
 #include "error.h"
+#include "force.h"
+#include "respa.h"
+#include "update.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -27,7 +27,7 @@ using namespace FixConst;
 FixNVE::FixNVE(LAMMPS *lmp, int narg, char **arg) :
   Fix(lmp, narg, arg)
 {
-  if (strcmp(style,"nve/sphere") != 0 && narg < 3)
+  if (!utils::strmatch(style,"^nve/sphere") && narg < 3)
     error->all(FLERR,"Illegal fix nve command");
 
   dynamic_group_allow = 1;
@@ -53,7 +53,7 @@ void FixNVE::init()
   dtv = update->dt;
   dtf = 0.5 * update->dt * force->ftm2v;
 
-  if (strstr(update->integrate_style,"respa"))
+  if (utils::strmatch(update->integrate_style,"^respa"))
     step_respa = ((Respa *) update->integrate)->step;
 }
 

src/fix_nvt.cpp

@@ -12,12 +12,10 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nvt.h"
-#include <cstring>
 
+#include "error.h"
 #include "group.h"
 #include "modify.h"
-#include "error.h"
-
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -35,11 +33,7 @@ FixNVT::FixNVT(LAMMPS *lmp, int narg, char **arg) :
   // create a new compute temp style
   // id = fix-ID + temp
 
-  std::string tcmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[tcmd.size()+1];
+  modify->add_compute(fmt::format("{} {} temp",id_temp,group->names[igroup]));
-  strcpy(id_temp,tcmd.c_str());
-
-  tcmd += fmt::format(" {} temp",group->names[igroup]);
-  modify->add_compute(tcmd);
   tcomputeflag = 1;
 }

src/fix_nvt_sllod.cpp

@@ -16,17 +16,18 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nvt_sllod.h"
-#include <cstring>
+
-#include "math_extra.h"
 #include "atom.h"
+#include "compute.h"
 #include "domain.h"
-#include "group.h"
+#include "error.h"
-#include "modify.h"
 #include "fix.h"
 #include "fix_deform.h"
-#include "compute.h"
+#include "group.h"
-#include "error.h"
+#include "math_extra.h"
+#include "modify.h"
 
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -49,12 +50,9 @@ FixNVTSllod::FixNVTSllod(LAMMPS *lmp, int narg, char **arg) :
   // create a new compute temp style
   // id = fix-ID + temp
 
-  std::string cmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[cmd.size()+1];
+  modify->add_compute(fmt::format("{} {} temp/deform",
-  strcpy(id_temp,cmd.c_str());
+                                  id_temp,group->names[igroup]));
-
-  cmd += fmt::format(" {} temp/deform",group->names[igroup]);
-  modify->add_compute(cmd);
   tcomputeflag = 1;
 }
 

src/fix_nvt_sphere.cpp

@@ -12,12 +12,10 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nvt_sphere.h"
-#include <cstring>
 
+#include "error.h"
 #include "group.h"
 #include "modify.h"
-#include "error.h"
-
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -35,11 +33,8 @@ FixNVTSphere::FixNVTSphere(LAMMPS *lmp, int narg, char **arg) :
   // create a new compute temp style
   // id = fix-ID + temp
 
-  std::string cmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[cmd.size()+1];
+  modify->add_compute(fmt::format("{} {} temp/sphere",
-  strcpy(id_temp,cmd.c_str());
+                                  id_temp,group->names[igroup]));
-
-  cmd += fmt::format(" {} temp/sphere",group->names[igroup]);
-  modify->add_compute(cmd);
   tcomputeflag = 1;
 }

src/fix_press_berendsen.cpp

@@ -12,19 +12,20 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_press_berendsen.h"
-#include <cstring>
-#include <cmath>
 
 #include "atom.h"
-#include "force.h"
 #include "comm.h"
-#include "modify.h"
-#include "fix_deform.h"
 #include "compute.h"
-#include "kspace.h"
-#include "update.h"
 #include "domain.h"
 #include "error.h"
+#include "fix_deform.h"
+#include "force.h"
+#include "kspace.h"
+#include "modify.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -218,24 +219,16 @@ FixPressBerendsen::FixPressBerendsen(LAMMPS *lmp, int narg, char **arg) :
   // compute group = all since pressure is always global (group all)
   //   and thus its KE/temperature contribution should use group all
 
-  std::string tcmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = new char[tcmd.size()+1];
+  modify->add_compute(fmt::format("{} all temp",id_temp));
-  strcpy(id_temp,tcmd.c_str());
-
-  tcmd += " all temp";
-  modify->add_compute(tcmd);
   tflag = 1;
 
   // create a new compute pressure style
   // id = fix-ID + press, compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  std::string pcmd = id + std::string("_press");
+  id_press = utils::strdup(std::string(id) + "_press");
-  id_press = new char[pcmd.size()+1];
+  modify->add_compute(fmt::format("{} all pressure {}",id_press, id_temp));
-  strcpy(id_press,pcmd.c_str());
-
-  pcmd += " all pressure " + std::string(id_temp);
-  modify->add_compute(pcmd);
   pflag = 1;
 
   nrigid = 0;

src/fix_temp_berendsen.cpp

@@ -72,10 +72,8 @@ FixTempBerendsen::FixTempBerendsen(LAMMPS *lmp, int narg, char **arg) :
   // create a new compute temp style
   // id = fix-ID + temp, compute group = fix group
 
-  std::string cmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = utils::strdup(cmd);
+  modify->add_compute(fmt::format("{} {} temp",id_temp,group->names[igroup]));
-  cmd += fmt::format(" {} temp",group->names[igroup]);
-  modify->add_compute(cmd);
   tflag = 1;
 
   energy = 0;

src/fix_temp_csld.cpp

@@ -81,10 +81,8 @@ FixTempCSLD::FixTempCSLD(LAMMPS *lmp, int narg, char **arg) :
   // create a new compute temp style
   // id = fix-ID + temp, compute group = fix group
 
-  std::string cmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = utils::strdup(cmd);
+  modify->add_compute(fmt::format("{} {} temp",id_temp,group->names[igroup]));
-  cmd += fmt::format(" {} temp",group->names[igroup]);
-  modify->add_compute(cmd);
   tflag = 1;
 
   vhold = nullptr;

src/fix_temp_csvr.cpp

@@ -81,10 +81,8 @@ FixTempCSVR::FixTempCSVR(LAMMPS *lmp, int narg, char **arg) :
   // create a new compute temp style
   // id = fix-ID + temp, compute group = fix group
 
-  std::string cmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = utils::strdup(cmd);
+  modify->add_compute(fmt::format("{} {} temp",id_temp,group->names[igroup]));
-  cmd += fmt::format(" {} temp",group->names[igroup]);
-  modify->add_compute(cmd);
   tflag = 1;
 
   nmax = -1;

src/fix_temp_rescale.cpp

@@ -68,10 +68,8 @@ FixTempRescale::FixTempRescale(LAMMPS *lmp, int narg, char **arg) :
   // create a new compute temp
   // id = fix-ID + temp, compute group = fix group
 
-  std::string cmd = id + std::string("_temp");
+  id_temp = utils::strdup(std::string(id) + "_temp");
-  id_temp = utils::strdup(cmd);
+  modify->add_compute(fmt::format("{} {} temp",id_temp,group->names[igroup]));
-  cmd += fmt::format(" {} temp",group->names[igroup]);
-  modify->add_compute(cmd);
   tflag = 1;
 
   energy = 0.0;