T2345: Replace instances of NULL with nullptr
The following changes have been applied to src and lib folders: regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib) Manually find/change: (void \*) nullptr ⇒ nullptr (1 case) regex find: ".*?nullptr.*?" Manually ~14 cases back to "NULL" in src, ~2 in lib regex finds a few false positive where nullptr appears between two strings in a function call
This commit is contained in:
Anne Gunn
138
src/lammps.cpp
138
src/lammps.cpp
@ -105,22 +105,22 @@ using namespace LAMMPS_NS;
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* \param communicator MPI communicator used by this LAMMPS instance
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*/
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LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
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memory(NULL), error(NULL), universe(NULL), input(NULL), atom(NULL),
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update(NULL), neighbor(NULL), comm(NULL), domain(NULL), force(NULL),
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modify(NULL), group(NULL), output(NULL), timer(NULL), kokkos(NULL),
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atomKK(NULL), memoryKK(NULL), python(NULL), citeme(NULL)
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memory(nullptr), error(nullptr), universe(nullptr), input(nullptr), atom(nullptr),
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update(nullptr), neighbor(nullptr), comm(nullptr), domain(nullptr), force(nullptr),
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modify(nullptr), group(nullptr), output(nullptr), timer(nullptr), kokkos(nullptr),
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atomKK(nullptr), memoryKK(nullptr), python(nullptr), citeme(nullptr)
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{
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memory = new Memory(this);
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error = new Error(this);
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universe = new Universe(this,communicator);
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clientserver = 0;
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cslib = NULL;
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cslib = nullptr;
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cscomm = 0;
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screen = NULL;
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logfile = NULL;
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infile = NULL;
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screen = nullptr;
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logfile = nullptr;
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infile = nullptr;
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initclock = MPI_Wtime();
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@ -170,19 +170,19 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
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int citeflag = 1;
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int helpflag = 0;
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suffix = suffix2 = NULL;
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suffix = suffix2 = nullptr;
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suffix_enable = 0;
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if (arg) exename = arg[0];
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else exename = NULL;
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packargs = NULL;
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else exename = nullptr;
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packargs = nullptr;
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num_package = 0;
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char *restartfile = NULL;
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char *restartfile = nullptr;
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int wfirst,wlast;
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int kkfirst,kklast;
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int npack = 0;
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int *pfirst = NULL;
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int *plast = NULL;
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int *pfirst = nullptr;
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int *plast = nullptr;
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iarg = 1;
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while (iarg < narg) {
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@ -348,7 +348,7 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
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error->universe_all(FLERR,"Invalid command-line argument");
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delete [] suffix;
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delete [] suffix2;
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suffix = suffix2 = NULL;
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suffix = suffix2 = nullptr;
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suffix_enable = 1;
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// hybrid option to set fall-back for suffix2
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if (strcmp(arg[iarg+1],"hybrid") == 0) {
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@ -380,7 +380,7 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
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// if no partition command-line switch, universe is one world with all procs
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if (universe->existflag == 0) universe->add_world(NULL);
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if (universe->existflag == 0) universe->add_world(nullptr);
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// sum of procs in all worlds must equal total # of procs
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@ -409,10 +409,10 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
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if (screenflag == 0)
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universe->uscreen = stdout;
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else if (strcmp(arg[screenflag],"none") == 0)
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universe->uscreen = NULL;
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universe->uscreen = nullptr;
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else {
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universe->uscreen = fopen(arg[screenflag],"w");
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if (universe->uscreen == NULL)
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if (universe->uscreen == nullptr)
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error->universe_one(FLERR,fmt::format("Cannot open universe screen "
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"file {}: {}",arg[screenflag],
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utils::getsyserror()));
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@ -420,15 +420,15 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
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if (logflag == 0) {
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if (helpflag == 0) {
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universe->ulogfile = fopen("log.lammps","w");
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if (universe->ulogfile == NULL)
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if (universe->ulogfile == nullptr)
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error->universe_warn(FLERR,"Cannot open log.lammps for writing: "
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+ utils::getsyserror());
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}
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} else if (strcmp(arg[logflag],"none") == 0)
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universe->ulogfile = NULL;
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universe->ulogfile = nullptr;
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else {
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universe->ulogfile = fopen(arg[logflag],"w");
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if (universe->ulogfile == NULL)
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if (universe->ulogfile == nullptr)
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error->universe_one(FLERR,fmt::format("Cannot open universe log "
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"file {}: {}",arg[logflag],
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utils::getsyserror()));
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@ -437,8 +437,8 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
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if (universe->me > 0) {
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if (screenflag == 0) universe->uscreen = stdout;
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else universe->uscreen = NULL;
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universe->ulogfile = NULL;
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else universe->uscreen = nullptr;
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universe->ulogfile = nullptr;
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}
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// make universe and single world the same, since no partition switch
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@ -454,7 +454,7 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
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if (universe->me == 0) {
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if (inflag == 0) infile = stdin;
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else infile = fopen(arg[inflag],"r");
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if (infile == NULL)
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if (infile == nullptr)
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error->one(FLERR,fmt::format("Cannot open input script {}: {}",
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arg[inflag], utils::getsyserror()));
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}
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@ -472,31 +472,31 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
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MPI_Comm_split(universe->uworld,universe->iworld,0,&world);
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MPI_Comm_rank(world,&me);
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screen = logfile = infile = NULL;
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screen = logfile = infile = nullptr;
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if (me == 0) {
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std::string str;
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if (partscreenflag == 0) {
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if (screenflag == 0) {
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str = fmt::format("screen.{}",universe->iworld);
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screen = fopen(str.c_str(),"w");
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if (screen == NULL)
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if (screen == nullptr)
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error->one(FLERR,fmt::format("Cannot open screen file {}: {}",
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str,utils::getsyserror()));
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} else if (strcmp(arg[screenflag],"none") == 0) {
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screen = NULL;
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screen = nullptr;
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} else {
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str = fmt::format("{}.{}",arg[screenflag],universe->iworld);
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screen = fopen(str.c_str(),"w");
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if (screen == NULL)
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if (screen == nullptr)
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error->one(FLERR,fmt::format("Cannot open screen file {}: {}",
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arg[screenflag],utils::getsyserror()));
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}
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} else if (strcmp(arg[partscreenflag],"none") == 0) {
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screen = NULL;
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screen = nullptr;
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} else {
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str = fmt::format("{}.{}",arg[partscreenflag],universe->iworld);
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screen = fopen(str.c_str(),"w");
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if (screen == NULL)
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if (screen == nullptr)
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error->one(FLERR,fmt::format("Cannot open screen file {}: {}",
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str,utils::getsyserror()));
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}
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@ -505,30 +505,30 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
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if (logflag == 0) {
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str = fmt::format("log.lammps.{}",universe->iworld);
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logfile = fopen(str.c_str(),"w");
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if (logfile == NULL)
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if (logfile == nullptr)
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error->one(FLERR,fmt::format("Cannot open logfile {}: {}",
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str, utils::getsyserror()));
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} else if (strcmp(arg[logflag],"none") == 0) {
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logfile = NULL;
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logfile = nullptr;
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} else {
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str = fmt::format("{}.{}",arg[logflag],universe->iworld);
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logfile = fopen(str.c_str(),"w");
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if (logfile == NULL)
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if (logfile == nullptr)
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error->one(FLERR,fmt::format("Cannot open logfile {}: {}",
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str, utils::getsyserror()));
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}
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} else if (strcmp(arg[partlogflag],"none") == 0) {
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logfile = NULL;
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logfile = nullptr;
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} else {
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str = fmt::format("{}.{}",arg[partlogflag],universe->iworld);
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logfile = fopen(str.c_str(),"w");
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if (logfile == NULL)
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if (logfile == nullptr)
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error->one(FLERR,fmt::format("Cannot open logfile {}: {}",
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str, utils::getsyserror()));
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}
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infile = fopen(arg[inflag],"r");
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if (infile == NULL)
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if (infile == nullptr)
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error->one(FLERR,fmt::format("Cannot open input script {}: {}",
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arg[inflag], utils::getsyserror()));
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}
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@ -590,7 +590,7 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
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// instantiation creates dummy Kokkos class if KOKKOS is not installed
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// add args between kkfirst and kklast to Kokkos instantiation
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kokkos = NULL;
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kokkos = nullptr;
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if (kokkosflag == 1) {
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kokkos = new KokkosLMP(this,kklast-kkfirst,&arg[kkfirst]);
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if (!kokkos->kokkos_exists)
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@ -600,7 +600,7 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
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// allocate CiteMe class if enabled
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if (citeflag) citeme = new CiteMe(this);
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else citeme = NULL;
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else citeme = nullptr;
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// allocate input class now that MPI is fully setup
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@ -616,7 +616,7 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
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packargs[i] = new char*[n+1];
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for (int j=0; j < n; ++j)
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packargs[i][j] = strdup(arg[pfirst[i]+j]);
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packargs[i][n] = NULL;
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packargs[i][n] = nullptr;
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}
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memory->destroy(pfirst);
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memory->destroy(plast);
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@ -668,14 +668,14 @@ LAMMPS::~LAMMPS()
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if (num_package) {
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for (int i = 0; i < num_package; i++) {
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for (char **ptr = packargs[i]; *ptr != NULL; ++ptr)
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for (char **ptr = packargs[i]; *ptr != nullptr; ++ptr)
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free(*ptr);
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delete[] packargs[i];
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}
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delete[] packargs;
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}
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num_package = 0;
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packargs = NULL;
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packargs = nullptr;
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double totalclock = MPI_Wtime() - initclock;
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if ((me == 0) && (screen || logfile)) {
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@ -690,14 +690,14 @@ LAMMPS::~LAMMPS()
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if (universe->nworlds == 1) {
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if (screen && screen != stdout) fclose(screen);
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if (logfile) fclose(logfile);
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logfile = NULL;
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if (screen != stdout) screen = NULL;
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logfile = nullptr;
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if (screen != stdout) screen = nullptr;
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} else {
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if (screen && screen != stdout) fclose(screen);
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if (logfile) fclose(logfile);
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if (universe->ulogfile) fclose(universe->ulogfile);
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logfile = NULL;
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if (screen != stdout) screen = NULL;
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logfile = nullptr;
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if (screen != stdout) screen = nullptr;
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}
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if (infile && infile != stdin) fclose(infile);
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@ -733,7 +733,7 @@ LAMMPS::~LAMMPS()
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void LAMMPS::create()
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{
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force = NULL; // Domain->Lattice checks if Force exists
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force = nullptr; // Domain->Lattice checks if Force exists
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// Comm class must be created before Atom class
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// so that nthreads is defined when create_avec invokes grow()
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@ -755,9 +755,9 @@ void LAMMPS::create()
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else atom = new Atom(this);
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if (kokkos)
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atom->create_avec("atomic/kk",0,NULL,1);
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atom->create_avec("atomic/kk",0,nullptr,1);
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else
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atom->create_avec("atomic",0,NULL,1);
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atom->create_avec("atomic",0,nullptr,1);
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group = new Group(this);
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force = new Force(this); // must be after group, to create temperature
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@ -799,7 +799,7 @@ void LAMMPS::post_create()
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if (strcmp(suffix,"intel") == 0 && !modify->check_package("INTEL"))
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error->all(FLERR,"Using suffix intel without USER-INTEL package installed");
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if (strcmp(suffix,"kk") == 0 &&
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(kokkos == NULL || kokkos->kokkos_exists == 0))
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(kokkos == nullptr || kokkos->kokkos_exists == 0))
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error->all(FLERR,"Using suffix kk without KOKKOS package enabled");
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if (strcmp(suffix,"omp") == 0 && !modify->check_package("OMP"))
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error->all(FLERR,"Using suffix omp without USER-OMP package installed");
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@ -821,7 +821,7 @@ void LAMMPS::post_create()
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char str[256];
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for (int i = 0; i < num_package; i++) {
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strcpy(str,"package");
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for (char **ptr = packargs[i]; *ptr != NULL; ++ptr) {
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for (char **ptr = packargs[i]; *ptr != nullptr; ++ptr) {
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if (strlen(str) + strlen(*ptr) + 2 > 256)
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error->all(FLERR,"Too many -pk arguments in command line");
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strcat(str," ");
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@ -861,41 +861,41 @@ void LAMMPS::init()
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void LAMMPS::destroy()
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{
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delete update;
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update = NULL;
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update = nullptr;
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delete neighbor;
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neighbor = NULL;
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neighbor = nullptr;
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delete force;
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force = NULL;
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force = nullptr;
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delete group;
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group = NULL;
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group = nullptr;
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delete output;
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output = NULL;
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output = nullptr;
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delete modify; // modify must come after output, force, update
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// since they delete fixes
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modify = NULL;
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modify = nullptr;
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delete comm; // comm must come after modify
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// since fix destructors may access comm
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comm = NULL;
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comm = nullptr;
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delete domain; // domain must come after modify
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// since fix destructors access domain
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domain = NULL;
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domain = nullptr;
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delete atom; // atom must come after modify, neighbor
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// since fixes delete callbacks in atom
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atom = NULL;
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atom = nullptr;
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delete timer;
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timer = NULL;
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timer = nullptr;
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delete python;
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python = NULL;
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python = nullptr;
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}
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/* ----------------------------------------------------------------------
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@ -1011,7 +1011,7 @@ void _noopt LAMMPS::init_pkg_lists()
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*/
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bool LAMMPS::is_installed_pkg(const char *pkg)
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{
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for (int i=0; installed_packages[i] != NULL; ++i)
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for (int i=0; installed_packages[i] != nullptr; ++i)
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if (strcmp(installed_packages[i],pkg) == 0) return true;
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return false;
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@ -1053,7 +1053,7 @@ const char *LAMMPS::match_style(const char *style, const char *name)
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check_for_match(pair,style,name);
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check_for_match(reader,style,name);
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check_for_match(region,style,name);
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return NULL;
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return nullptr;
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}
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/* ----------------------------------------------------------------------
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@ -1063,7 +1063,7 @@ const char *LAMMPS::match_style(const char *style, const char *name)
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void _noopt LAMMPS::help()
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{
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FILE *fp = screen;
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const char *pager = NULL;
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const char *pager = nullptr;
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// if output is "stdout", use a pipe to a pager for paged output.
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// this will avoid the most important help text to rush past the
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@ -1072,7 +1072,7 @@ void _noopt LAMMPS::help()
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if (fp == stdout) {
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pager = getenv("PAGER");
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if (pager == NULL) pager = "more";
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if (pager == nullptr) pager = "more";
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#if defined(_WIN32)
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fp = _popen(pager,"w");
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#else
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@ -1080,9 +1080,9 @@ void _noopt LAMMPS::help()
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#endif
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// reset to original state, if pipe command failed
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if (fp == NULL) {
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if (fp == nullptr) {
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fp = stdout;
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pager = NULL;
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pager = nullptr;
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}
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}
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@ -1236,7 +1236,7 @@ void _noopt LAMMPS::help()
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// close pipe to pager, if active
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if (pager != NULL) pclose(fp);
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if (pager != nullptr) pclose(fp);
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}
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/* ----------------------------------------------------------------------
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@ -1309,7 +1309,7 @@ void LAMMPS::print_config(FILE *fp)
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sizeof(tagint)*8, sizeof(bigint)*8);
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fputs("\nInstalled packages:\n\n",fp);
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for (int i = 0; NULL != (pkg = installed_packages[i]); ++i) {
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for (int i = 0; nullptr != (pkg = installed_packages[i]); ++i) {
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ncword = strlen(pkg);
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if (ncline + ncword > 78) {
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ncline = 0;
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