| Back to the main page of this manual | Input reference of CP2K version 9.1 |
CP2K_INPUT /
MOTION /
PINT /
NORMALMODEMODEFACTOR {Real} |
|
| mass scale factor for non-centroid degrees of freedom | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
Q_BEAD {Real} |
|
| Value of the thermostat mass of non-centroid degrees of freedom | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.00000000E+000 |
Q_CENTROID {Real} |
|
| Value of the thermostat mass of centroid degree of freedom | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.00000000E+000 |
| Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2021) |