ICODE-ADC/lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11063 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-11-25 17:17:50 +00:00
parent 02a59d28df
commit 21d9cd5d01
1 changed files with 10 additions and 1 deletions
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11
src/lammps.cpp
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@ -83,6 +83,7 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
suffix_enable = 0;
char *rfile = NULL;
char *dfile = NULL;
int wdfirst,wdlast;
int iarg = 1;
while (iarg < narg) {
@ -171,6 +172,10 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
rfile = arg[iarg+1];
dfile = arg[iarg+2];
iarg += 3;
// delimit any extra args for the write_data command
wdfirst = iarg;
while (iarg < narg && arg[iarg][0] != '-') iarg++;
wdlast = iarg;
} else if (strcmp(arg[iarg],"-nocite") == 0 ||
strcmp(arg[iarg],"-nc") == 0) {
citeflag = 0;
@ -436,12 +441,16 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
}
// if restartflag set, process 2 command and quit
// add args between wdfirst and wdlast to write_data
if (restartflag) {
char cmd[128];
sprintf(cmd,"read_restart %s\n",rfile);
input->one(cmd);
sprintf(cmd,"write_data %s\n",dfile);
sprintf(cmd,"write_data %s",dfile);
for (iarg = wdfirst; iarg < wdlast; iarg++)
sprintf(&cmd[strlen(cmd)]," %s",arg[iarg]);
strcat(cmd,"\n");
input->one(cmd);
error->done();
}