LIST |
|
| LIST {integer} {integer} .. {integer}
|
| Specifies a list of atoms belonging to the region.
|
| This required keyword expects a list of integers, and may repeat |
TEMPERATURE |
|
| temperature 5.0
|
| The temperature in K used to initialize the velocities of the atoms in this region
|
| This optional keyword expects a real. Default unit: [K], default value: 0.0000000000000000E+00
K |
TEMP_TOL |
|
| temp_tol 0.0
|
| Maximum accepted temperature deviation from the expected value for this region.If temp_tol=0 no rescaling is performed
|
| This optional keyword expects a real. Default unit: [K], default value: 0.0000000000000000E+00
K |