| 33 |
|
option "begin" - "begin internal index" int no |
| 34 |
|
option "end" - "end internal index" int no |
| 35 |
|
option "radius" - "nanoparticle radius" double no |
| 36 |
+ |
option "voxelSize" v "voxel size (angstroms)" double no |
| 37 |
+ |
option "gaussWidth" - "Gaussian width (angstroms)" double no |
| 38 |
|
defgroup "staticProps" groupdesc=" an option of this group is required" yes |
| 39 |
|
groupoption "bo" - "bond order parameter (--rcut must be specified)" group="staticProps" |
| 40 |
|
groupoption "ior" - "icosahedral bond order parameter as a function of radius (--rcut must be specified)" group="staticProps" |
| 62 |
|
groupoption "rodlength" - "length of nanorod" group="staticProps" |
| 63 |
|
groupoption "tet_param" Q "tetrahedrality order parameter (Qk)" group="staticProps" |
| 64 |
|
groupoption "tet_param_z" - "spatially-resolved tetrahedrality order parameter Qk(z)" group="staticProps" |
| 65 |
+ |
groupoption "tet_param_xyz" - "volume-resolved tetrahedrality order parameter Qk(x,y,z). (voxelSize, rcut, and gaussWidth must be specified)" group="staticProps" |
| 66 |
|
groupoption "rnemdz" - "slab-resolved RNEMD statistics (temperature, density, velocity)" group="staticProps" |
| 67 |
|
groupoption "rnemdr" - "shell-resolved RNEMD statistics (temperature, density, angular velocity)" group="staticProps" |
| 68 |
|
groupoption "rnemdrt" - "shell and angle-resolved RNEMD statistics (temperature, density, angular velocity)" group="staticProps" |
