| Back to the main page of this manual | Input reference of CP2K version 2023.1 |
CP2K_INPUT /
MOTION /
PINT /
HELIUM /
AVERAGESIWEIGHT {Integer} |
|
| Weight for the restarted quantities (number of MC steps used to calculate the accumulated averages) | |
| This keyword cannot be repeated and it expects precisely one integer. | |
Default value:
0 |
MOMENT_OF_INERTIA {Real} ... |
|
| Moment of inertia vector for all environments | |
| This keyword can be repeated and it expects a list of reals. |
PROJECTED_AREA {Real} ... |
|
| Projected area vector for all environments | |
| This keyword can be repeated and it expects a list of reals. |
PROJECTED_AREA_2 {Real} ... |
|
| Projected area vector squared for all environments | |
| This keyword can be repeated and it expects a list of reals. |
RDF {Real} ... |
|
| Radial distributions averaged over all environments | |
| This keyword can be repeated and it expects a list of reals. |
RHO {Real} ... |
|
| Spatial distributions averaged over all environments | |
| This keyword can be repeated and it expects a list of reals. |
WINDING_NUMBER_2 {Real} ... |
|
| Winding number vector squared for all environments | |
| This keyword can be repeated and it expects a list of reals. |
| Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2022) |