| 44 | 
  | 
  printf("      --order=INT               Lengendre Polynomial Order\n"); | 
| 45 | 
  | 
  printf("\n"); | 
| 46 | 
  | 
  printf(" Group: dynamicProps  an option of this group is required\n"); | 
| 47 | 
< | 
  printf("  -r, --rcorr                   rmsd\n"); | 
| 47 | 
> | 
  printf("  -m, --rmsd                    rmsd\n"); | 
| 48 | 
> | 
  printf("  -r, --rcorr                   position correlation function\n"); | 
| 49 | 
  | 
  printf("  -v, --vcorr                   velocity correlation function\n"); | 
| 50 | 
  | 
  printf("  -d, --dcorr                   dipole correlation function\n"); | 
| 51 | 
  | 
  printf("  -l, --lcorr                   Lengendre correlation function\n"); | 
| 81 | 
  | 
  args_info->sele1_given = 0 ; | 
| 82 | 
  | 
  args_info->sele2_given = 0 ; | 
| 83 | 
  | 
  args_info->order_given = 0 ; | 
| 84 | 
+ | 
  args_info->rmsd_given = 0 ; | 
| 85 | 
  | 
  args_info->rcorr_given = 0 ; | 
| 86 | 
  | 
  args_info->vcorr_given = 0 ; | 
| 87 | 
  | 
  args_info->dcorr_given = 0 ; | 
| 113 | 
  | 
        { "sele1",      1, NULL, 0 }, | 
| 114 | 
  | 
        { "sele2",      1, NULL, 0 }, | 
| 115 | 
  | 
        { "order",      1, NULL, 0 }, | 
| 116 | 
+ | 
        { "rmsd",       0, NULL, 'm' }, | 
| 117 | 
  | 
        { "rcorr",      0, NULL, 'r' }, | 
| 118 | 
  | 
        { "vcorr",      0, NULL, 'v' }, | 
| 119 | 
  | 
        { "dcorr",      0, NULL, 'd' }, | 
| 122 | 
  | 
      }; | 
| 123 | 
  | 
 | 
| 124 | 
  | 
      stop_char = 0; | 
| 125 | 
< | 
      c = getopt_long (argc, argv, "hVi:o:rvdl", long_options, &option_index); | 
| 125 | 
> | 
      c = getopt_long (argc, argv, "hVi:o:mrvdl", long_options, &option_index); | 
| 126 | 
  | 
 | 
| 127 | 
  | 
      if (c == -1) break;       /* Exit from `while (1)' loop.  */ | 
| 128 | 
  | 
 | 
| 160 | 
  | 
          args_info->output_arg = gengetopt_strdup (optarg); | 
| 161 | 
  | 
          break; | 
| 162 | 
  | 
 | 
| 163 | 
< | 
        case 'r':       /* rmsd.  */ | 
| 163 | 
> | 
        case 'm':       /* rmsd.  */ | 
| 164 | 
> | 
          if (args_info->rmsd_given) | 
| 165 | 
> | 
            { | 
| 166 | 
> | 
              fprintf (stderr, "%s: `--rmsd' (`-m') option given more than once\n", CMDLINE_PARSER_PACKAGE); | 
| 167 | 
> | 
              clear_args (); | 
| 168 | 
> | 
              exit (EXIT_FAILURE); | 
| 169 | 
> | 
            } | 
| 170 | 
> | 
          args_info->rmsd_given = 1; | 
| 171 | 
> | 
          dynamicProps_group_counter += 1; | 
| 172 | 
> | 
        break; | 
| 173 | 
> | 
 | 
| 174 | 
> | 
        case 'r':       /* position correlation function.  */ | 
| 175 | 
  | 
          if (args_info->rcorr_given) | 
| 176 | 
  | 
            { | 
| 177 | 
  | 
              fprintf (stderr, "%s: `--rcorr' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE); |