final set of styles in the src folder to be simplified

src/compute_msd.cpp

@@ -14,6 +14,7 @@
 #include "compute_msd.h"
 #include <mpi.h>
 #include <cstring>
+#include <string>
 #include "atom.h"
 #include "update.h"
 #include "group.h"
@@ -21,6 +22,7 @@
 #include "modify.h"
 #include "fix_store.h"
 #include "error.h"
+#include "fmt/format.h"
 
 using namespace LAMMPS_NS;
 
@@ -63,21 +65,13 @@ ComputeMSD::ComputeMSD(LAMMPS *lmp, int narg, char **arg) :
   // create a new fix STORE style for reference positions
   // id = compute-ID + COMPUTE_STORE, fix group = compute group
 
-  int n = strlen(id) + strlen("_COMPUTE_STORE") + 1;
+  std::string fixcmd = id + std::string("_COMPUTE_STORE");
-  id_fix = new char[n];
+  id_fix = new char[fixcmd.size()+1];
-  strcpy(id_fix,id);
+  strcpy(id_fix,fixcmd.c_str());
-  strcat(id_fix,"_COMPUTE_STORE");
 
-  char **newarg = new char*[6];
+  fixcmd += fmt::format(" {} STORE peratom 1 3",group->names[igroup]);
-  newarg[0] = id_fix;
+  modify->add_fix(fixcmd);
-  newarg[1] = group->names[igroup];
-  newarg[2] = (char *) "STORE";
-  newarg[3] = (char *) "peratom";
-  newarg[4] = (char *) "1";
-  newarg[5] = (char *) "3";
-  modify->add_fix(6,newarg);
   fix = (FixStore *) modify->fix[modify->nfix-1];
-  delete [] newarg;
 
   // calculate xu,yu,zu for fix store array
   // skip if reset from restart file

src/compute_msd_chunk.cpp

@@ -14,6 +14,7 @@
 #include "compute_msd_chunk.h"
 #include <mpi.h>
 #include <cstring>
+#include <string>
 #include "atom.h"
 #include "group.h"
 #include "update.h"
@@ -23,6 +24,7 @@
 #include "fix_store.h"
 #include "memory.h"
 #include "error.h"
+#include "fmt/format.h"
 
 using namespace LAMMPS_NS;
 
@@ -56,21 +58,13 @@ 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()
 
-  n = strlen(id) + strlen("_COMPUTE_STORE") + 1;
+  std::string fixcmd = id + std::string("_COMPUTE_STORE");
-  id_fix = new char[n];
+  id_fix = new char[fixcmd.size()+1];
-  strcpy(id_fix,id);
+  strcpy(id_fix,fixcmd.c_str());
-  strcat(id_fix,"_COMPUTE_STORE");
 
-  char **newarg = new char*[6];
+  fixcmd += fmt::format(" {} STORE global 1 1",group->names[igroup]);
-  newarg[0] = id_fix;
+  modify->add_fix(fixcmd);
-  newarg[1] = group->names[igroup];
-  newarg[2] = (char *) "STORE";
-  newarg[3] = (char *) "global";
-  newarg[4] = (char *) "1";
-  newarg[5] = (char *) "1";
-  modify->add_fix(6,newarg);
   fix = (FixStore *) modify->fix[modify->nfix-1];
-  delete [] newarg;
 }
 
 /* ---------------------------------------------------------------------- */

src/dump_custom.cpp

@@ -14,6 +14,7 @@
 #include "dump_custom.h"
 #include <cstdlib>
 #include <cstring>
+#include <string>
 #include "atom.h"
 #include "force.h"
 #include "domain.h"
@@ -28,6 +29,7 @@
 #include "error.h"
 #include "update.h"
 #include "variable.h"
+#include "fmt/format.h"
 
 using namespace LAMMPS_NS;
 
@@ -1981,22 +1983,12 @@ int DumpCustom::modify_param(int narg, char **arg)
                          "dump:thresh_fixID");
       memory->grow(thresh_first,(nthreshlast+1),"dump:thresh_first");
 
-      int n = strlen(id) + strlen("_DUMP_STORE") + 8;
+      std::string threshid = fmt::format("{}{}_DUMP_STORE",id,nthreshlast);
-      thresh_fixID[nthreshlast] = new char[n];
+      thresh_fixID[nthreshlast] = new char[threshid.size()+1];
-      strcpy(thresh_fixID[nthreshlast],id);
+      strcpy(thresh_fixID[nthreshlast],threshid.c_str());
-      sprintf(&thresh_fixID[nthreshlast][strlen(id)],"%d",nthreshlast);
+      modify->add_fix(fmt::format("{} {} STORE peratom 1 1",threshid,
-      strcat(thresh_fixID[nthreshlast],"_DUMP_STORE");
+                                  group->names[igroup]));
-
-      char **newarg = new char*[6];
-      newarg[0] = thresh_fixID[nthreshlast];
-      newarg[1] = group->names[igroup];
-      newarg[2] = (char *) "STORE";
-      newarg[3] = (char *) "peratom";
-      newarg[4] = (char *) "1";
-      newarg[5] = (char *) "1";
-      modify->add_fix(6,newarg);
       thresh_fix[nthreshlast] = (FixStore *) modify->fix[modify->nfix-1];
-      delete [] newarg;
 
       thresh_last[nthreshlast] = nthreshlast;
       thresh_first[nthreshlast] = 1;