| 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. */ |
| 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 |
|
|
| 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. */ |
| 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. */ |
