| 89 | 
  | 
  "      --tet_param_z             spatially-resolved tetrahedrality order \n                                  parameter Qk(z)", | 
| 90 | 
  | 
  "      --rnemdz                  slab-resolved RNEMD statistics (temperature, \n                                  density, velocity)", | 
| 91 | 
  | 
  "      --rnemdr                  shell-resolved RNEMD statistics (temperature, \n                                  density, angular velocity)", | 
| 92 | 
+ | 
  "      --rnemdrt                 shell and angle-resolved RNEMD statistics \n                                  (temperature, density, angular velocity)", | 
| 93 | 
  | 
    0 | 
| 94 | 
  | 
}; | 
| 95 | 
  | 
 | 
| 169 | 
  | 
  args_info->tet_param_z_given = 0 ; | 
| 170 | 
  | 
  args_info->rnemdz_given = 0 ; | 
| 171 | 
  | 
  args_info->rnemdr_given = 0 ; | 
| 172 | 
+ | 
  args_info->rnemdrt_given = 0 ; | 
| 173 | 
  | 
  args_info->staticProps_group_counter = 0 ; | 
| 174 | 
  | 
} | 
| 175 | 
  | 
 | 
| 275 | 
  | 
  args_info->tet_param_z_help = gengetopt_args_info_help[50] ; | 
| 276 | 
  | 
  args_info->rnemdz_help = gengetopt_args_info_help[51] ; | 
| 277 | 
  | 
  args_info->rnemdr_help = gengetopt_args_info_help[52] ; | 
| 278 | 
+ | 
  args_info->rnemdrt_help = gengetopt_args_info_help[53] ; | 
| 279 | 
  | 
   | 
| 280 | 
  | 
} | 
| 281 | 
  | 
 | 
| 529 | 
  | 
    write_into_file(outfile, "rnemdz", 0, 0 ); | 
| 530 | 
  | 
  if (args_info->rnemdr_given) | 
| 531 | 
  | 
    write_into_file(outfile, "rnemdr", 0, 0 ); | 
| 532 | 
+ | 
  if (args_info->rnemdrt_given) | 
| 533 | 
+ | 
    write_into_file(outfile, "rnemdrt", 0, 0 ); | 
| 534 | 
  | 
   | 
| 535 | 
  | 
 | 
| 536 | 
  | 
  i = EXIT_SUCCESS; | 
| 611 | 
  | 
  args_info->tet_param_z_given = 0 ; | 
| 612 | 
  | 
  args_info->rnemdz_given = 0 ; | 
| 613 | 
  | 
  args_info->rnemdr_given = 0 ; | 
| 614 | 
+ | 
  args_info->rnemdrt_given = 0 ; | 
| 615 | 
  | 
 | 
| 616 | 
  | 
  args_info->staticProps_group_counter = 0; | 
| 617 | 
  | 
} | 
| 909 | 
  | 
        { "tet_param_z",        0, NULL, 0 }, | 
| 910 | 
  | 
        { "rnemdz",     0, NULL, 0 }, | 
| 911 | 
  | 
        { "rnemdr",     0, NULL, 0 }, | 
| 912 | 
+ | 
        { "rnemdrt",    0, NULL, 0 }, | 
| 913 | 
  | 
        { 0,  0, 0, 0 } | 
| 914 | 
  | 
      }; | 
| 915 | 
  | 
 | 
| 1680 | 
  | 
                &(local_args_info.rnemdr_given), optarg, 0, 0, ARG_NO, | 
| 1681 | 
  | 
                check_ambiguity, override, 0, 0, | 
| 1682 | 
  | 
                "rnemdr", '-', | 
| 1683 | 
+ | 
                additional_error)) | 
| 1684 | 
+ | 
              goto failure; | 
| 1685 | 
+ | 
           | 
| 1686 | 
+ | 
          } | 
| 1687 | 
+ | 
          /* shell and angle-resolved RNEMD statistics (temperature, density, angular velocity).  */ | 
| 1688 | 
+ | 
          else if (strcmp (long_options[option_index].name, "rnemdrt") == 0) | 
| 1689 | 
+ | 
          { | 
| 1690 | 
+ | 
           | 
| 1691 | 
+ | 
            if (args_info->staticProps_group_counter && override) | 
| 1692 | 
+ | 
              reset_group_staticProps (args_info); | 
| 1693 | 
+ | 
            args_info->staticProps_group_counter += 1; | 
| 1694 | 
+ | 
           | 
| 1695 | 
+ | 
            if (update_arg( 0 ,  | 
| 1696 | 
+ | 
                 0 , &(args_info->rnemdrt_given), | 
| 1697 | 
+ | 
                &(local_args_info.rnemdrt_given), optarg, 0, 0, ARG_NO, | 
| 1698 | 
+ | 
                check_ambiguity, override, 0, 0, | 
| 1699 | 
+ | 
                "rnemdrt", '-', | 
| 1700 | 
  | 
                additional_error)) | 
| 1701 | 
  | 
              goto failure; | 
| 1702 | 
  | 
           |