| 1 |
|
/* |
| 2 |
< |
File autogenerated by gengetopt version 2.16 |
| 2 |
> |
File autogenerated by gengetopt version 2.14 |
| 3 |
|
generated with the following command: |
| 4 |
< |
gengetopt -F DynamicPropsCmd |
| 4 |
> |
gengetopt -i DynamicProps.ggo -F DynamicPropsCmd |
| 5 |
|
|
| 6 |
|
The developers of gengetopt consider the fixed text that goes in all |
| 7 |
|
gengetopt output files to be in the public domain: |
| 51 |
|
args_info->lcorr_given = 0 ; |
| 52 |
|
args_info->r_rcorr_given = 0 ; |
| 53 |
|
args_info->thetacorr_given = 0 ; |
| 54 |
– |
args_info->actioncorr_given = 0 ; |
| 54 |
|
args_info->drcorr_given = 0 ; |
| 55 |
+ |
args_info->helfandEcorr_given = 0 ; |
| 56 |
|
args_info->dynamicProps_group_counter = 0 ; |
| 57 |
|
} |
| 58 |
|
|
| 96 |
|
printf("%s\n"," -l, --lcorr Lengendre correlation function"); |
| 97 |
|
printf("%s\n"," --r_rcorr Radial rmsd"); |
| 98 |
|
printf("%s\n"," --thetacorr Angular rmsd"); |
| 99 |
– |
printf("%s\n"," --actioncorr Action correlation function"); |
| 99 |
|
printf("%s\n"," --drcorr Directional rmsd for particles with unit \n vectors"); |
| 100 |
+ |
printf("%s\n"," --helfandEcorr Helfand moment for thermal conductvity"); |
| 101 |
|
|
| 102 |
|
} |
| 103 |
|
|
| 233 |
|
} |
| 234 |
|
if (args_info->thetacorr_given) { |
| 235 |
|
fprintf(outfile, "%s\n", "thetacorr"); |
| 236 |
– |
} |
| 237 |
– |
if (args_info->actioncorr_given) { |
| 238 |
– |
fprintf(outfile, "%s\n", "actioncorr"); |
| 236 |
|
} |
| 237 |
|
if (args_info->drcorr_given) { |
| 238 |
|
fprintf(outfile, "%s\n", "drcorr"); |
| 239 |
|
} |
| 240 |
+ |
if (args_info->helfandEcorr_given) { |
| 241 |
+ |
fprintf(outfile, "%s\n", "helfandEcorr"); |
| 242 |
+ |
} |
| 243 |
|
|
| 244 |
|
fclose (outfile); |
| 245 |
|
|
| 285 |
|
args_info->lcorr_given = 0 ; |
| 286 |
|
args_info->r_rcorr_given = 0 ; |
| 287 |
|
args_info->thetacorr_given = 0 ; |
| 288 |
– |
args_info->actioncorr_given = 0 ; |
| 288 |
|
args_info->drcorr_given = 0 ; |
| 289 |
+ |
args_info->helfandEcorr_given = 0 ; |
| 290 |
|
|
| 291 |
|
args_info->dynamicProps_group_counter = 0; |
| 292 |
|
} |
| 364 |
|
cmdline_parser_init (&local_args_info); |
| 365 |
|
|
| 366 |
|
optarg = 0; |
| 367 |
< |
optind = 0; |
| 367 |
> |
optind = 1; |
| 368 |
|
opterr = 1; |
| 369 |
|
optopt = '?'; |
| 370 |
|
|
| 387 |
|
{ "lcorr", 0, NULL, 'l' }, |
| 388 |
|
{ "r_rcorr", 0, NULL, 0 }, |
| 389 |
|
{ "thetacorr", 0, NULL, 0 }, |
| 390 |
– |
{ "actioncorr", 0, NULL, 0 }, |
| 390 |
|
{ "drcorr", 0, NULL, 0 }, |
| 391 |
+ |
{ "helfandEcorr", 0, NULL, 0 }, |
| 392 |
|
{ NULL, 0, NULL, 0 } |
| 393 |
|
}; |
| 394 |
|
|
| 557 |
|
continue; |
| 558 |
|
local_args_info.order_given = 1; |
| 559 |
|
args_info->order_given = 1; |
| 560 |
< |
args_info->order_arg = strtol (optarg, &stop_char, 0); |
| 561 |
< |
if (!(stop_char && *stop_char == '\0')) { |
| 562 |
< |
fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg); |
| 563 |
< |
goto failure; |
| 564 |
< |
} |
| 560 |
> |
args_info->order_arg = strtol (optarg,&stop_char,0); |
| 561 |
|
if (args_info->order_orig) |
| 562 |
|
free (args_info->order_orig); /* free previous string */ |
| 563 |
|
args_info->order_orig = gengetopt_strdup (optarg); |
| 591 |
|
continue; |
| 592 |
|
local_args_info.thetacorr_given = 1; |
| 593 |
|
args_info->thetacorr_given = 1; |
| 598 |
– |
if (args_info->dynamicProps_group_counter && override) |
| 599 |
– |
reset_group_dynamicProps (args_info); |
| 600 |
– |
args_info->dynamicProps_group_counter += 1; |
| 601 |
– |
break; |
| 602 |
– |
} |
| 603 |
– |
/* Action correlation function. */ |
| 604 |
– |
else if (strcmp (long_options[option_index].name, "actioncorr") == 0) |
| 605 |
– |
{ |
| 606 |
– |
if (local_args_info.actioncorr_given) |
| 607 |
– |
{ |
| 608 |
– |
fprintf (stderr, "%s: `--actioncorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
| 609 |
– |
goto failure; |
| 610 |
– |
} |
| 611 |
– |
if (args_info->actioncorr_given && ! override) |
| 612 |
– |
continue; |
| 613 |
– |
local_args_info.actioncorr_given = 1; |
| 614 |
– |
args_info->actioncorr_given = 1; |
| 594 |
|
if (args_info->dynamicProps_group_counter && override) |
| 595 |
|
reset_group_dynamicProps (args_info); |
| 596 |
|
args_info->dynamicProps_group_counter += 1; |
| 613 |
|
args_info->dynamicProps_group_counter += 1; |
| 614 |
|
break; |
| 615 |
|
} |
| 616 |
+ |
/* Helfand moment for thermal conductvity. */ |
| 617 |
+ |
else if (strcmp (long_options[option_index].name, "helfandEcorr") == 0) |
| 618 |
+ |
{ |
| 619 |
+ |
if (local_args_info.helfandEcorr_given) |
| 620 |
+ |
{ |
| 621 |
+ |
fprintf (stderr, "%s: `--helfandEcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
| 622 |
+ |
goto failure; |
| 623 |
+ |
} |
| 624 |
+ |
if (args_info->helfandEcorr_given && ! override) |
| 625 |
+ |
continue; |
| 626 |
+ |
local_args_info.helfandEcorr_given = 1; |
| 627 |
+ |
args_info->helfandEcorr_given = 1; |
| 628 |
+ |
if (args_info->dynamicProps_group_counter && override) |
| 629 |
+ |
reset_group_dynamicProps (args_info); |
| 630 |
+ |
args_info->dynamicProps_group_counter += 1; |
| 631 |
+ |
break; |
| 632 |
+ |
} |
| 633 |
|
|
| 634 |
|
break; |
| 635 |
|
case '?': /* Invalid option. */ |