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lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1250 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2007-12-13 15:00:28 +00:00
parent a5eda24459
commit db10083b17
1 changed files with 17 additions and 5 deletions
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22
src/run.cpp
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@ -29,6 +29,8 @@ using namespace LAMMPS_NS;
#define MIN(a,b) ((a) < (b) ? (a) : (b))
#define MAX(a,b) ((a) > (b) ? (a) : (b))
#define MAXLINE 2048
/* ---------------------------------------------------------------------- */
Run::Run(LAMMPS *lmp) : Pointers(lmp) {}
@ -83,16 +85,26 @@ void Run::command(int narg, char **arg)
else if (strcmp(arg[iarg+1],"yes") == 0) postflag = 1;
else error->all("Illegal run command");
iarg += 2;
// generate commandstr if last arg is not NULL
// commandstr = concatenation of all remaining args
// if an arg has spaces, enclose in quotes since input parser removed them
} else if (strcmp(arg[iarg],"every") == 0) {
if (iarg+3 > narg) error->all("Illegal run command");
nevery = atoi(arg[iarg+1]);
if (nevery <= 0) error->all("Illegal run command");
if (strcmp(arg[iarg+2],"NULL") != 0) {
int n = strlen(arg[iarg+2]) + 1;
commandstr = new char[n];
strcpy(commandstr,arg[iarg+2]);
commandstr = new char[MAXLINE];
commandstr[0] = '\0';
for (int jarg = iarg+2; jarg < narg; jarg++) {
if (strchr(arg[jarg],' ')) strcat(commandstr,"\"");
strcat(commandstr,arg[jarg]);
if (strchr(arg[jarg],' ')) strcat(commandstr,"\"");
strcat(commandstr," ");
}
}
iarg += 3;
iarg = narg;
} else error->all("Illegal run command");
}
@ -144,7 +156,7 @@ void Run::command(int narg, char **arg)
Finish finish(lmp);
finish.end(postflag);
// perform multiple runs interleaved with invocation of a command
// perform multiple runs optionally interleaved with invocation of a command
// use start/stop to set begin/end step
// if pre or 1st iteration of multiple runs, do System init/setup,
// else just init timer and setup output