| 12 |
|
option "nbins" b "number of bins (general purpose)" int default="100" no |
| 13 |
|
option "nbins_x" x "number of bins in x axis" int default="100" no |
| 14 |
|
option "nbins_y" y "number of bins in y axis" int default="100" no |
| 15 |
+ |
option "nbins_z" - "number of bins in z axis" int default="100" no |
| 16 |
|
option "nanglebins" a "number of bins for cos(angle)" int default="50" no |
| 16 |
– |
option "length" - "maximum length (Defaults to 1/2 smallest length of first frame)" double no |
| 17 |
|
option "rcut" c "cutoff radius (rcut)" double no |
| 18 |
+ |
option "dz" - "slab width (dz)" double no |
| 19 |
+ |
option "length" - "maximum length (Defaults to 1/2 smallest length of first frame)" double no |
| 20 |
+ |
option "zlength" - "maximum length (Defaults to 1/2 smallest length of first frame)" double no |
| 21 |
|
option "zoffset" z "Where to set the zero for the slab_density calculation" double default="0" no |
| 22 |
|
option "sele1" - "select the first stuntdouble set" string typestr="selection script" no |
| 23 |
|
option "sele2" - "select the second stuntdouble set" string typestr="selection script" no |
| 36 |
|
groupoption "gofz" - "g(z)" group="staticProps" |
| 37 |
|
groupoption "r_theta" - "g(r, cos(theta))" group="staticProps" |
| 38 |
|
groupoption "r_omega" - "g(r, cos(omega))" group="staticProps" |
| 39 |
+ |
groupoption "r_z" - "g(r, z)" group="staticProps" |
| 40 |
|
groupoption "theta_omega" - "g(cos(theta), cos(omega))" group="staticProps" |
| 41 |
|
groupoption "gxyz" - "g(x, y, z)" group="staticProps" |
| 42 |
+ |
groupoption "twodgofr" - "2D g(r) (Slab width --dz must be specified)" group="staticProps" |
| 43 |
|
groupoption "p2" p "p2 order parameter (--sele1 and --sele2 must be specified)" group="staticProps" |
| 44 |
|
groupoption "rp2" - "rp2 order parameter (--sele1 and --sele2 must be specified)" group="staticProps" |
| 45 |
|
groupoption "scd" s "scd order parameter (either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified)" group="staticProps" |
| 46 |
|
groupoption "density" d "density plot" group="staticProps" |
| 47 |
|
groupoption "slab_density" - "slab density" group="staticProps" |
| 48 |
+ |
groupoption "p_angle" - "p(cos(theta))" group="staticProps" |
| 49 |
|
groupoption "hxy" - "hxy" group="staticProps" |
| 50 |
< |
groupoption "rho_r" - "rho of R" group="staticProps" |
| 51 |
< |
groupoption "hullvol" - "hull volume of nanoparticle" group="staticProps" |
| 50 |
> |
groupoption "rho_r" - "rho of R" group="staticProps" |
| 51 |
> |
groupoption "hullvol" - "hull volume of nanoparticle" group="staticProps" |
