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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11044 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-11-22 17:14:39 +00:00
parent 0ee331d2a7
commit 8ff753d958
44 changed files with 616 additions and 25 deletions
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24
src/lammps.cpp
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@ -75,11 +75,14 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
int partscreenflag = 0;
int partlogflag = 0;
int cudaflag = -1;
int restartflag = 0;
int citeflag = 1;
int helpflag = 0;
suffix = NULL;
suffix_enable = 0;
char *rfile = NULL;
char *dfile = NULL;
int iarg = 1;
while (iarg < narg) {
@ -153,13 +156,21 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
suffix_enable = 1;
iarg += 2;
} else if (strcmp(arg[iarg],"-reorder") == 0 ||
strcmp(arg[iarg],"-r") == 0) {
strcmp(arg[iarg],"-ro") == 0) {
if (iarg+3 > narg)
error->universe_all(FLERR,"Invalid command-line argument");
if (universe->existflag)
error->universe_all(FLERR,"Cannot use -reorder after -partition");
universe->reorder(arg[iarg+1],arg[iarg+2]);
iarg += 3;
} else if (strcmp(arg[iarg],"-restart") == 0 ||
strcmp(arg[iarg],"-r") == 0) {
if (iarg+3 > narg)
error->universe_all(FLERR,"Invalid command-line argument");
restartflag = 1;
rfile = arg[iarg+1];
dfile = arg[iarg+2];
iarg += 3;
} else if (strcmp(arg[iarg],"-nocite") == 0 ||
strcmp(arg[iarg],"-nc") == 0) {
citeflag = 0;
@ -423,6 +434,17 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
if (universe->me == 0 && screen) help();
error->done();
}
// if restartflag set, process 2 command and quit
if (restartflag) {
char cmd[128];
sprintf(cmd,"read_restart %s\n",rfile);
input->one(cmd);
sprintf(cmd,"write_data %s\n",dfile);
input->one(cmd);
error->done();
}
}
/* ----------------------------------------------------------------------