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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 2003 by gezelter, Sun Jun 1 19:28:44 2014 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 +  "  -f, --freqfluccorr            Frequency Fluctuation correlation function",
65      0
66   };
67  
# Line 109 | Line 111 | void clear_given (struct gengetopt_args_info *args_inf
111    args_info->helfandEcorr_given = 0 ;
112    args_info->momentum_given = 0 ;
113    args_info->stresscorr_given = 0 ;
114 +  args_info->bondcorr_given = 0 ;
115 +  args_info->freqfluccorr_given = 0 ;
116    args_info->dynamicProps_group_counter = 0 ;
117   }
118  
# Line 160 | Line 164 | void init_args_info(struct gengetopt_args_info *args_i
164    args_info->helfandEcorr_help = gengetopt_args_info_help[21] ;
165    args_info->momentum_help = gengetopt_args_info_help[22] ;
166    args_info->stresscorr_help = gengetopt_args_info_help[23] ;
167 +  args_info->bondcorr_help = gengetopt_args_info_help[24] ;
168 +  args_info->freqfluccorr_help = gengetopt_args_info_help[25] ;
169    
170   }
171  
# Line 336 | Line 342 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
342      write_into_file(outfile, "momentum", 0, 0 );
343    if (args_info->stresscorr_given)
344      write_into_file(outfile, "stresscorr", 0, 0 );
345 +  if (args_info->bondcorr_given)
346 +    write_into_file(outfile, "bondcorr", 0, 0 );
347 +  if (args_info->freqfluccorr_given)
348 +    write_into_file(outfile, "freqfluccorr", 0, 0 );
349    
350  
351    i = EXIT_SUCCESS;
# Line 403 | Line 413 | reset_group_dynamicProps(struct gengetopt_args_info *a
413    args_info->helfandEcorr_given = 0 ;
414    args_info->momentum_given = 0 ;
415    args_info->stresscorr_given = 0 ;
416 +  args_info->bondcorr_given = 0 ;
417 +  args_info->freqfluccorr_given = 0 ;
418  
419    args_info->dynamicProps_group_counter = 0;
420   }
# Line 667 | Line 679 | cmdline_parser_internal (
679          { "helfandEcorr",       0, NULL, 0 },
680          { "momentum",   0, NULL, 'p' },
681          { "stresscorr", 0, NULL, 0 },
682 +        { "bondcorr",   0, NULL, 'b' },
683 +        { "freqfluccorr",       0, NULL, 'f' },
684          { 0,  0, 0, 0 }
685        };
686  
687 <      c = getopt_long (argc, argv, "hVi:o:z:m:srvdlMp", long_options, &option_index);
687 >      c = getopt_long (argc, argv, "hVi:o:z:m:srvdlMpbf", long_options, &option_index);
688  
689        if (c == -1) break;       /* Exit from `while (1)' loop.  */
690  
# Line 835 | Line 849 | cmdline_parser_internal (
849                &(local_args_info.momentum_given), optarg, 0, 0, ARG_NO,
850                check_ambiguity, override, 0, 0,
851                "momentum", 'p',
852 +              additional_error))
853 +            goto failure;
854 +        
855 +          break;
856 +        case 'b':       /* Bond extension correlation function.  */
857 +        
858 +          if (args_info->dynamicProps_group_counter && override)
859 +            reset_group_dynamicProps (args_info);
860 +          args_info->dynamicProps_group_counter += 1;
861 +        
862 +          if (update_arg( 0 ,
863 +               0 , &(args_info->bondcorr_given),
864 +              &(local_args_info.bondcorr_given), optarg, 0, 0, ARG_NO,
865 +              check_ambiguity, override, 0, 0,
866 +              "bondcorr", 'b',
867                additional_error))
868              goto failure;
869          
870            break;
871 +        case 'f':       /* Frequency Fluctuation correlation function.  */
872 +        
873 +          if (args_info->dynamicProps_group_counter && override)
874 +            reset_group_dynamicProps (args_info);
875 +          args_info->dynamicProps_group_counter += 1;
876 +        
877 +          if (update_arg( 0 ,
878 +               0 , &(args_info->freqfluccorr_given),
879 +              &(local_args_info.freqfluccorr_given), optarg, 0, 0, ARG_NO,
880 +              check_ambiguity, override, 0, 0,
881 +              "freqfluccorr", 'f',
882 +              additional_error))
883 +            goto failure;
884 +        
885 +          break;
886  
887          case 0: /* Long option with no short option */
888            /* select first stuntdouble set.  */

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