| 18 |
|
option "nbins_z" - "number of bins in z axis" int default="100" no |
| 19 |
|
option "nanglebins" a "number of bins for cos(angle)" int default="50" no |
| 20 |
|
option "rcut" c "cutoff radius (rcut)" double no |
| 21 |
+ |
option "thetacut" - "cutoff angle (thetacut)" double no |
| 22 |
|
option "dz" - "slab width (dz)" double no |
| 23 |
|
option "length" - "maximum length (Defaults to 1/2 smallest length of first frame)" double no |
| 24 |
|
option "zlength" - "maximum length (Defaults to 1/2 smallest length of first frame)" double no |
| 70 |
|
groupoption "nitrile" - "electrostatic potential to frequency map based on the Cho nitrile fits" group="staticProps" |
| 71 |
|
groupoption "multipole" m "average multipole moments contained within cutoff spheres as a function of radius" group="staticProps" |
| 72 |
|
groupoption "surfDiffusion" - "X, Y, and R (surface diffusion if Z exposed and bulk immobile) diffusion" group="staticProps" |
| 73 |
+ |
groupoption "hbond" - "Hydrogen Bonding statistics using geometric criteria (rcut and thetacut must be specified)" group="staticProps" |
