Back to the main page of this manual | Input reference of CP2K version 7.1 |
CP2K_INPUT /
MOTION /
PINT /
NORMALMODE
MODEFACTOR {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 |
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