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root/group/trunk/SHAPES/forcerCmd.c
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Comparing trunk/SHAPES/forcerCmd.c (file contents):
Revision 1281 by chrisfen, Mon Jun 21 13:38:55 2004 UTC vs.
Revision 1285 by chrisfen, Tue Jun 22 18:04:58 2004 UTC

# Line 51 | Line 51 | void clear_args (struct gengetopt_args_info *args_info
51   void clear_args (struct gengetopt_args_info *args_info)
52   {
53    args_info->input_arg = NULL;
54 <  args_info->bandwidth_arg = 16 ;
54 >  args_info->bandwidth_arg = 8 ;
55   }
56  
57   void
# Line 70 | Line 70 | cmdline_parser_print_help (void)
70    printf("%s\n","  -h, --help            Print help and exit");
71    printf("%s\n","  -V, --version         Print version and exit");
72    printf("%s\n","  -i, --input=filename  input file name");
73 <  printf("%s\n","  -b, --bandwidth=INT   The step detail for the potential grids - typically a \n                          power of 2  (default=`16')");
73 >  printf("%s\n","  -b, --bandwidth=INT   The number of spherical harmonic l values - typically\na power of 2  (default=`8')");
74    printf("\n");
75    printf(" Group: ForceField A Force Field must be specified\n");
76    printf("%s\n","  -c, --charmm          Use CHARMM 27 parameters");
# Line 222 | Line 222 | cmdline_parser_internal (int argc, char * const *argv,
222            args_info->input_arg = gengetopt_strdup (optarg);
223            break;
224  
225 <        case 'b':       /* The step detail for the potential grids - typically a power of 2.  */
225 >        case 'b':       /* The number of spherical harmonic l values - typically a power of 2.  */
226            if (local_args_info.bandwidth_given)
227              {
228                fprintf (stderr, "%s: `--bandwidth' (`-b') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));

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