diff --git a/src/fix_print.cpp b/src/fix_print.cpp index 6181600acb..b2c5df74d3 100644 --- a/src/fix_print.cpp +++ b/src/fix_print.cpp @@ -43,6 +43,7 @@ FixPrint::FixPrint(LAMMPS *lmp, int narg, char **arg) : fp = NULL; screenflag = 1; + char *title = NULL; int iarg = 5; while (iarg < narg) { @@ -64,12 +65,24 @@ FixPrint::FixPrint(LAMMPS *lmp, int narg, char **arg) : else if (strcmp(arg[iarg+1],"no") == 0) screenflag = 0; else error->all("Illegal fix print command"); iarg += 2; + } else if (strcmp(arg[iarg],"title") == 0) { + if (iarg+2 > narg) error->all("Illegal fix print command"); + delete [] title; + int n = strlen(arg[iarg+1]) + 1; + title = new char[n]; + strcpy(title,arg[iarg+1]); + iarg += 2; } else error->all("Illegal fix print command"); } - // print header into file + // print file comment line - if (fp && me == 0) fprintf(fp,"# Fix print output for fix %s\n",id); + if (fp && me == 0) { + if (title) fprintf(fp,"%s\n",title); + else fprintf(fp,"# Fix print output for fix %s\n",id); + } + + delete [] title; copy = new char[MAXLINE]; work = new char[MAXLINE];