Loading doc/src/print.txt +10 −3 Original line number Diff line number Diff line Loading @@ -14,10 +14,11 @@ print string keyword value :pre string = text string to print, which may contain variables :ulb,l zero or more keyword/value pairs may be appended :l keyword = {file} or {append} or {screen} :l keyword = {file} or {append} or {screen} or {universe} :l {file} value = filename {append} value = filename {screen} value = {yes} or {no} :pre {screen} value = {yes} or {no} {universe} value = {yes} or {no} :pre :ule [Examples:] Loading @@ -26,6 +27,7 @@ print "Done with equilibration" file info.dat print Vol=$v append info.dat screen no print "The system volume is now $v" print 'The system volume is now $v' print "NEB calculation 1 complete" screen no universe yes print """ System volume = $v System temperature = $t Loading @@ -49,6 +51,11 @@ it does not exist. If the {screen} keyword is used, output to the screen and logfile can be turned on or off as desired. If the {universe} keyword is used, output to the global screen and logfile can be turned on or off as desired. In multi-partition calculations, the {screen} option and the corresponding output only apply to the screen and logfile of the individual partition. If you want the print command to be executed multiple times (with changing variable values), there are 3 options. First, consider using the "fix print"_fix_print.html command, which will print a string Loading @@ -74,4 +81,4 @@ thermodynamic properties, global values calculated by a [Default:] The option defaults are no file output and screen = yes. The option defaults are no file output, screen = yes, and universe = no. src/input.cpp +11 −0 Original line number Diff line number Diff line Loading @@ -1175,6 +1175,7 @@ void Input::print() FILE *fp = NULL; int screenflag = 1; int universeflag = 0; int iarg = 1; while (iarg < narg) { Loading @@ -1197,6 +1198,12 @@ void Input::print() else if (strcmp(arg[iarg+1],"no") == 0) screenflag = 0; else error->all(FLERR,"Illegal print command"); iarg += 2; } else if (strcmp(arg[iarg],"universe") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal print command"); if (strcmp(arg[iarg+1],"yes") == 0) universeflag = 1; else if (strcmp(arg[iarg+1],"no") == 0) universeflag = 0; else error->all(FLERR,"Illegal print command"); iarg += 2; } else error->all(FLERR,"Illegal print command"); } Loading @@ -1208,6 +1215,10 @@ void Input::print() fclose(fp); } } if (universeflag && (universe->me == 0)) { if (universe->uscreen) fprintf(universe->uscreen, "%s\n",line); if (universe->ulogfile) fprintf(universe->ulogfile,"%s\n",line); } } /* ---------------------------------------------------------------------- */ Loading Loading
doc/src/print.txt +10 −3 Original line number Diff line number Diff line Loading @@ -14,10 +14,11 @@ print string keyword value :pre string = text string to print, which may contain variables :ulb,l zero or more keyword/value pairs may be appended :l keyword = {file} or {append} or {screen} :l keyword = {file} or {append} or {screen} or {universe} :l {file} value = filename {append} value = filename {screen} value = {yes} or {no} :pre {screen} value = {yes} or {no} {universe} value = {yes} or {no} :pre :ule [Examples:] Loading @@ -26,6 +27,7 @@ print "Done with equilibration" file info.dat print Vol=$v append info.dat screen no print "The system volume is now $v" print 'The system volume is now $v' print "NEB calculation 1 complete" screen no universe yes print """ System volume = $v System temperature = $t Loading @@ -49,6 +51,11 @@ it does not exist. If the {screen} keyword is used, output to the screen and logfile can be turned on or off as desired. If the {universe} keyword is used, output to the global screen and logfile can be turned on or off as desired. In multi-partition calculations, the {screen} option and the corresponding output only apply to the screen and logfile of the individual partition. If you want the print command to be executed multiple times (with changing variable values), there are 3 options. First, consider using the "fix print"_fix_print.html command, which will print a string Loading @@ -74,4 +81,4 @@ thermodynamic properties, global values calculated by a [Default:] The option defaults are no file output and screen = yes. The option defaults are no file output, screen = yes, and universe = no.
src/input.cpp +11 −0 Original line number Diff line number Diff line Loading @@ -1175,6 +1175,7 @@ void Input::print() FILE *fp = NULL; int screenflag = 1; int universeflag = 0; int iarg = 1; while (iarg < narg) { Loading @@ -1197,6 +1198,12 @@ void Input::print() else if (strcmp(arg[iarg+1],"no") == 0) screenflag = 0; else error->all(FLERR,"Illegal print command"); iarg += 2; } else if (strcmp(arg[iarg],"universe") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal print command"); if (strcmp(arg[iarg+1],"yes") == 0) universeflag = 1; else if (strcmp(arg[iarg+1],"no") == 0) universeflag = 0; else error->all(FLERR,"Illegal print command"); iarg += 2; } else error->all(FLERR,"Illegal print command"); } Loading @@ -1208,6 +1215,10 @@ void Input::print() fclose(fp); } } if (universeflag && (universe->me == 0)) { if (universe->uscreen) fprintf(universe->uscreen, "%s\n",line); if (universe->ulogfile) fprintf(universe->ulogfile,"%s\n",line); } } /* ---------------------------------------------------------------------- */ Loading
