| 120 |  | printf("%s\n","  -i, --input=filename          input dump file"); | 
| 121 |  | printf("%s\n","  -o, --output=filename         output file name"); | 
| 122 |  | printf("%s\n","  -n, --step=INT                process every n frame  (default=`1')"); | 
| 123 | < | printf("%s\n","  -x,  --nbins_x=INT              number of bins in x axis  (default=`100')"); | 
| 124 | < | printf("%s\n","  -y , --nbins_y=INT              number of bins in y axis  (default=`100')"); | 
| 125 | < | printf("%s\n","  -r, --nrbins=INT              number of bins for distance  (default=`100')"); | 
| 123 | > | printf("%s\n","  -r, --nrbins=INT              number of bins for distance  (default=`100')"); | 
| 124 | > | printf("%s\n","  -x, --nbins_x=INT             number of bins in x axis  (default=`100')"); | 
| 125 | > | printf("%s\n","  -y, --nbins_y=INT             number of bins in y axis  (default=`100')"); | 
| 126 |  | printf("%s\n","  -a, --nanglebins=INT          number of bins for cos(angle)  (default=`50')"); | 
| 127 |  | printf("%s\n","  -l, --length=DOUBLE           maximum length (Defaults to 1/2 smallest length \n                                  of first frame)"); | 
| 128 |  | printf("%s\n","  -z, --zoffset=DOUBLE          Where to set the zero for the slab_density \n                                  calculation  (default=`0')"); | 
| 143 |  | printf("%s\n","      --scd                     scd order parameter(either --sele1, --sele2, \n                                  --sele3 are specified or --molname, --begin, \n                                  --end are specified)"); | 
| 144 |  | printf("%s\n","      --density                 density plot (--sele1 must be specified)"); | 
| 145 |  | printf("%s\n","      --slab_density            slab density (--sele1 must be specified)"); | 
| 146 | < | printf("%s\n","      --hxy            hxy (--sele1 must be specified)"); | 
| 146 | > | printf("%s\n","      --hxy                     hxy (--sele1 must be specified)"); | 
| 147 |  |  | 
| 148 |  | } | 
| 149 |  |  | 
| 188 |  | free (args_info->nrbins_orig); /* free previous argument */ | 
| 189 |  | args_info->nrbins_orig = 0; | 
| 190 |  | } | 
| 191 | < | if (args_info->nbins_x_orig) | 
| 191 | > | if (args_info->nbins_x_orig) | 
| 192 |  | { | 
| 193 |  | free (args_info->nbins_x_orig); /* free previous argument */ | 
| 194 |  | args_info->nbins_x_orig = 0; | 
| 198 |  | free (args_info->nbins_y_orig); /* free previous argument */ | 
| 199 |  | args_info->nbins_y_orig = 0; | 
| 200 |  | } | 
| 201 | – |  | 
| 201 |  | if (args_info->nanglebins_orig) | 
| 202 |  | { | 
| 203 |  | free (args_info->nanglebins_orig); /* free previous argument */ | 
| 439 |  | if (args_info->hxy_given) { | 
| 440 |  | fprintf(outfile, "%s\n", "hxy"); | 
| 441 |  | } | 
| 442 | + |  | 
| 443 |  | fclose (outfile); | 
| 444 |  |  | 
| 445 |  | i = EXIT_SUCCESS; | 
| 487 |  | args_info->scd_given = 0 ; | 
| 488 |  | args_info->density_given = 0 ; | 
| 489 |  | args_info->slab_density_given = 0 ; | 
| 490 | < | args_info->hxy_given= 0 ; | 
| 490 | > | args_info->hxy_given = 0 ; | 
| 491 |  |  | 
| 492 |  | args_info->staticProps_group_counter = 0; | 
| 493 |  | } | 
| 581 |  | { "output",     1, NULL, 'o' }, | 
| 582 |  | { "step",       1, NULL, 'n' }, | 
| 583 |  | { "nrbins",     1, NULL, 'r' }, | 
| 584 | + | { "nbins_x",    1, NULL, 'x' }, | 
| 585 | + | { "nbins_y",    1, NULL, 'y' }, | 
| 586 |  | { "nanglebins", 1, NULL, 'a' }, | 
| 587 |  | { "length",     1, NULL, 'l' }, | 
| 588 |  | { "zoffset",    1, NULL, 'z' }, | 
| 607 |  | }; | 
| 608 |  |  | 
| 609 |  | stop_char = 0; | 
| 610 | < | c = getopt_long (argc, argv, "hVi:o:n:r:a:l:z:", long_options, &option_index); | 
| 610 | > | c = getopt_long (argc, argv, "hVi:o:n:r:x:y:a:l:z:", long_options, &option_index); | 
| 611 |  |  | 
| 612 |  | if (c == -1) break;       /* Exit from `while (1)' loop.  */ | 
| 613 |  |  | 
| 702 |  | case 'x':       /* number of bins in x axis.  */ | 
| 703 |  | if (local_args_info.nbins_x_given) | 
| 704 |  | { | 
| 705 | < | fprintf (stderr, "%s: `--nbins_x' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); | 
| 705 | > | fprintf (stderr, "%s: `--nbins_x' (`-x') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); | 
| 706 |  | goto failure; | 
| 707 |  | } | 
| 708 |  | if (args_info->nbins_x_given && ! override) | 
| 722 |  | case 'y':       /* number of bins in y axis.  */ | 
| 723 |  | if (local_args_info.nbins_y_given) | 
| 724 |  | { | 
| 725 | < | fprintf (stderr, "%s: `--nbins_y' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); | 
| 725 | > | fprintf (stderr, "%s: `--nbins_y' (`-y') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); | 
| 726 |  | goto failure; | 
| 727 |  | } | 
| 728 |  | if (args_info->nbins_y_given && ! override) |