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root/OpenMD/trunk/src/applications/dynamicProps/DynamicPropsCmd.cpp
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Comparing trunk/src/applications/dynamicProps/DynamicPropsCmd.cpp (file contents):
Revision 1939 by gezelter, Thu Oct 31 18:18:57 2013 UTC vs.
Revision 1953 by gezelter, Thu Dec 5 18:19:26 2013 UTC

# Line 60 | Line 60 | const char *gengetopt_args_info_help[] = {
60    "      --helfandEcorr            Helfand moment for thermal conductvity",
61    "  -p, --momentum                Helfand momentum for viscosity",
62    "      --stresscorr              Stress tensor correlation function",
63 +  "  -b, --bondcorr                Bond extension correlation function",
64      0
65   };
66  
# Line 109 | Line 110 | void clear_given (struct gengetopt_args_info *args_inf
110    args_info->helfandEcorr_given = 0 ;
111    args_info->momentum_given = 0 ;
112    args_info->stresscorr_given = 0 ;
113 +  args_info->bondcorr_given = 0 ;
114    args_info->dynamicProps_group_counter = 0 ;
115   }
116  
# Line 160 | Line 162 | void init_args_info(struct gengetopt_args_info *args_i
162    args_info->helfandEcorr_help = gengetopt_args_info_help[21] ;
163    args_info->momentum_help = gengetopt_args_info_help[22] ;
164    args_info->stresscorr_help = gengetopt_args_info_help[23] ;
165 +  args_info->bondcorr_help = gengetopt_args_info_help[24] ;
166    
167   }
168  
# Line 336 | Line 339 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
339      write_into_file(outfile, "momentum", 0, 0 );
340    if (args_info->stresscorr_given)
341      write_into_file(outfile, "stresscorr", 0, 0 );
342 +  if (args_info->bondcorr_given)
343 +    write_into_file(outfile, "bondcorr", 0, 0 );
344    
345  
346    i = EXIT_SUCCESS;
# Line 403 | Line 408 | reset_group_dynamicProps(struct gengetopt_args_info *a
408    args_info->helfandEcorr_given = 0 ;
409    args_info->momentum_given = 0 ;
410    args_info->stresscorr_given = 0 ;
411 +  args_info->bondcorr_given = 0 ;
412  
413    args_info->dynamicProps_group_counter = 0;
414   }
# Line 667 | Line 673 | cmdline_parser_internal (
673          { "helfandEcorr",       0, NULL, 0 },
674          { "momentum",   0, NULL, 'p' },
675          { "stresscorr", 0, NULL, 0 },
676 +        { "bondcorr",   0, NULL, 'b' },
677          { 0,  0, 0, 0 }
678        };
679  
680 <      c = getopt_long (argc, argv, "hVi:o:z:m:srvdlMp", long_options, &option_index);
680 >      c = getopt_long (argc, argv, "hVi:o:z:m:srvdlMpb", long_options, &option_index);
681  
682        if (c == -1) break;       /* Exit from `while (1)' loop.  */
683  
# Line 835 | Line 842 | cmdline_parser_internal (
842                &(local_args_info.momentum_given), optarg, 0, 0, ARG_NO,
843                check_ambiguity, override, 0, 0,
844                "momentum", 'p',
845 +              additional_error))
846 +            goto failure;
847 +        
848 +          break;
849 +        case 'b':       /* Bond extension correlation function.  */
850 +        
851 +          if (args_info->dynamicProps_group_counter && override)
852 +            reset_group_dynamicProps (args_info);
853 +          args_info->dynamicProps_group_counter += 1;
854 +        
855 +          if (update_arg( 0 ,
856 +               0 , &(args_info->bondcorr_given),
857 +              &(local_args_info.bondcorr_given), optarg, 0, 0, ARG_NO,
858 +              check_ambiguity, override, 0, 0,
859 +              "bondcorr", 'b',
860                additional_error))
861              goto failure;
862          

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