ATOMS_FROM |
|
| ATOMS_FROM {integer} {integer} ..
|
| Specify indexes of atoms/points building the coordination variable.
|
| This required keyword expects a list of integers, and may repeat |
| variants: POINTS_FROM |
ATOMS_TO |
|
| ATOMS_TO {integer} {integer} ..
|
| Specify indexes of atoms/points building the coordination variable.
|
| This required keyword expects a list of integers, and may repeat |
| variants: POINTS_TO |
RCUT |
|
| RCUT {real}
|
| Specifies the distance cutoff for neighbors.
|
| This required keyword expects a real. Default unit: [angstrom]. |
L |
|
| L {integer}
|
| Specifies the L spherical harmonics from Ylm.
|
| This required keyword expects an integer |
ALPHA |
|
| ALPHA {real}
|
| Specifies the width of the Fermi-Dirac style smearing around RCUT.
|
| This optional keyword expects a real. Default unit: [angstrom^-1], default value: 0.0000000000000000E+00
angstrom^-1 |