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root/group/trunk/OOPSE-4/src/applications/staticProps/StaticPropsCmd.h
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Comparing trunk/OOPSE-4/src/applications/staticProps/StaticPropsCmd.h (file contents):
Revision 2751 by xsun, Fri May 12 21:34:43 2006 UTC vs.
Revision 3009 by gezelter, Wed Sep 20 20:13:40 2006 UTC

# Line 30 | Line 30 | struct gengetopt_args_info
30    char * output_orig;   /* output file name original value given at command line.  */
31    int step_arg; /* process every n frame (default='1').  */
32    char * step_orig;     /* process every n frame original value given at command line.  */
33 <  int nrbins_arg;       /* number of bins for distance (default='100').  */
34 <  char * nrbins_orig;   /* number of bins for distance original value given at command line.  */
35 <  int nbins_x_arg;  /* number of bins in x axis. */
33 >  int nbins_arg;        /* number of bins (general purpose) (default='100').  */
34 >  char * nbins_orig;    /* number of bins (general purpose) original value given at command line.  */
35 >  int nbins_x_arg;      /* number of bins in x axis (default='100').  */
36    char * nbins_x_orig;  /* number of bins in x axis original value given at command line.  */
37 <  int nbins_y_arg; /* number of bins in y axis. */
37 >  int nbins_y_arg;      /* number of bins in y axis (default='100').  */
38    char * nbins_y_orig;  /* number of bins in y axis original value given at command line.  */
39    int nanglebins_arg;   /* number of bins for cos(angle) (default='50').  */
40    char * nanglebins_orig;       /* number of bins for cos(angle) original value given at command line.  */
41    double length_arg;    /* maximum length (Defaults to 1/2 smallest length of first frame).  */
42    char * length_orig;   /* maximum length (Defaults to 1/2 smallest length of first frame) original value given at command line.  */
43 +  int LegendreL_arg;    /* Order of Legendre Polynomial (used for Bond Order calculations).  */
44 +  char * LegendreL_orig;        /* Order of Legendre Polynomial (used for Bond Order calculations) original value given at command line.  */
45 +  double rcut_arg;      /* cutoff radius (rcut).  */
46 +  char * rcut_orig;     /* cutoff radius (rcut) original value given at command line.  */
47    double zoffset_arg;   /* Where to set the zero for the slab_density calculation (default='0').  */
48    char * zoffset_orig;  /* Where to set the zero for the slab_density calculation original value given at command line.  */
49    char * sele1_arg;     /* select the first stuntdouble set.  */
# Line 52 | Line 56 | struct gengetopt_args_info
56    char * refsele_orig;  /* select reference (use and only use with --gxyz) original value given at command line.  */
57    char * molname_arg;   /* molecule name.  */
58    char * molname_orig;  /* molecule name original value given at command line.  */
59 <  int begin_arg;        /* begin interanl index.  */
60 <  char * begin_orig;    /* begin interanl index original value given at command line.  */
59 >  int begin_arg;        /* begin internal index.  */
60 >  char * begin_orig;    /* begin internal index original value given at command line.  */
61    int end_arg;  /* end internal index.  */
62    char * end_orig;      /* end internal index original value given at command line.  */
63    
# Line 62 | Line 66 | struct gengetopt_args_info
66    int input_given ;     /* Whether input was given.  */
67    int output_given ;    /* Whether output was given.  */
68    int step_given ;      /* Whether step was given.  */
69 <  int nbins_x_given;  /*  Whether nbins_x was given */
70 <  int nbins_y_given; /* Whether nbins_y was given */
71 <  int nrbins_given ;    /* Whether nrbins was given.  */
69 >  int nbins_given ;     /* Whether nbins was given.  */
70 >  int nbins_x_given ;   /* Whether nbins_x was given.  */
71 >  int nbins_y_given ;   /* Whether nbins_y was given.  */
72    int nanglebins_given ;        /* Whether nanglebins was given.  */
73    int length_given ;    /* Whether length was given.  */
74 +  int LegendreL_given ; /* Whether LegendreL was given.  */
75 +  int rcut_given ;      /* Whether rcut was given.  */
76    int zoffset_given ;   /* Whether zoffset was given.  */
77    int sele1_given ;     /* Whether sele1 was given.  */
78    int sele2_given ;     /* Whether sele2 was given.  */
# Line 75 | Line 81 | struct gengetopt_args_info
81    int molname_given ;   /* Whether molname was given.  */
82    int begin_given ;     /* Whether begin was given.  */
83    int end_given ;       /* Whether end was given.  */
84 +  int bo_given ;        /* Whether bo was given.  */
85    int gofr_given ;      /* Whether gofr was given.  */
86    int r_theta_given ;   /* Whether r_theta was given.  */
87    int r_omega_given ;   /* Whether r_omega was given.  */
88    int theta_omega_given ;       /* Whether theta_omega was given.  */
89    int gxyz_given ;      /* Whether gxyz was given.  */
90    int p2_given ;        /* Whether p2 was given.  */
91 +  int rp2_given ;       /* Whether rp2 was given.  */
92    int scd_given ;       /* Whether scd was given.  */
93    int density_given ;   /* Whether density was given.  */
94    int slab_density_given ;      /* Whether slab_density was given.  */
95 <  int hxy_given;         /*Whether hxy was given. */
95 >  int hxy_given ;       /* Whether hxy was given.  */
96  
97    int staticProps_group_counter; /* counter for group staticProps */
98   } ;

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