| 79 |
|
" --rho_r rho of R", |
| 80 |
|
" --angle_r angle of R", |
| 81 |
|
" --hullvol hull volume of nanoparticle", |
| 82 |
+ |
" --rodlength length of nanorod", |
| 83 |
|
" -Q, --tet_param tetrahedrality order parameter", |
| 84 |
|
0 |
| 85 |
|
}; |
| 154 |
|
args_info->rho_r_given = 0 ; |
| 155 |
|
args_info->angle_r_given = 0 ; |
| 156 |
|
args_info->hullvol_given = 0 ; |
| 157 |
+ |
args_info->rodlength_given = 0 ; |
| 158 |
|
args_info->tet_param_given = 0 ; |
| 159 |
|
args_info->staticProps_group_counter = 0 ; |
| 160 |
|
} |
| 254 |
|
args_info->rho_r_help = gengetopt_args_info_help[44] ; |
| 255 |
|
args_info->angle_r_help = gengetopt_args_info_help[45] ; |
| 256 |
|
args_info->hullvol_help = gengetopt_args_info_help[46] ; |
| 257 |
< |
args_info->tet_param_help = gengetopt_args_info_help[47] ; |
| 257 |
> |
args_info->rodlength_help = gengetopt_args_info_help[47] ; |
| 258 |
> |
args_info->tet_param_help = gengetopt_args_info_help[48] ; |
| 259 |
|
|
| 260 |
|
} |
| 261 |
|
|
| 496 |
|
write_into_file(outfile, "angle_r", 0, 0 ); |
| 497 |
|
if (args_info->hullvol_given) |
| 498 |
|
write_into_file(outfile, "hullvol", 0, 0 ); |
| 499 |
+ |
if (args_info->rodlength_given) |
| 500 |
+ |
write_into_file(outfile, "rodlength", 0, 0 ); |
| 501 |
|
if (args_info->tet_param_given) |
| 502 |
|
write_into_file(outfile, "tet_param", 0, 0 ); |
| 503 |
|
|
| 575 |
|
args_info->rho_r_given = 0 ; |
| 576 |
|
args_info->angle_r_given = 0 ; |
| 577 |
|
args_info->hullvol_given = 0 ; |
| 578 |
+ |
args_info->rodlength_given = 0 ; |
| 579 |
|
args_info->tet_param_given = 0 ; |
| 580 |
|
|
| 581 |
|
args_info->staticProps_group_counter = 0; |
| 868 |
|
{ "rho_r", 0, NULL, 0 }, |
| 869 |
|
{ "angle_r", 0, NULL, 0 }, |
| 870 |
|
{ "hullvol", 0, NULL, 0 }, |
| 871 |
+ |
{ "rodlength", 0, NULL, 0 }, |
| 872 |
|
{ "tet_param", 0, NULL, 'Q' }, |
| 873 |
|
{ 0, 0, 0, 0 } |
| 874 |
|
}; |
| 1558 |
|
&(local_args_info.hullvol_given), optarg, 0, 0, ARG_NO, |
| 1559 |
|
check_ambiguity, override, 0, 0, |
| 1560 |
|
"hullvol", '-', |
| 1561 |
+ |
additional_error)) |
| 1562 |
+ |
goto failure; |
| 1563 |
+ |
|
| 1564 |
+ |
} |
| 1565 |
+ |
/* length of nanorod. */ |
| 1566 |
+ |
else if (strcmp (long_options[option_index].name, "rodlength") == 0) |
| 1567 |
+ |
{ |
| 1568 |
+ |
|
| 1569 |
+ |
if (args_info->staticProps_group_counter && override) |
| 1570 |
+ |
reset_group_staticProps (args_info); |
| 1571 |
+ |
args_info->staticProps_group_counter += 1; |
| 1572 |
+ |
|
| 1573 |
+ |
if (update_arg( 0 , |
| 1574 |
+ |
0 , &(args_info->rodlength_given), |
| 1575 |
+ |
&(local_args_info.rodlength_given), optarg, 0, 0, ARG_NO, |
| 1576 |
+ |
check_ambiguity, override, 0, 0, |
| 1577 |
+ |
"rodlength", '-', |
| 1578 |
|
additional_error)) |
| 1579 |
|
goto failure; |
| 1580 |
|
|