| Back to the main page of this manual | Input reference of CP2K version 3.0 (Revision svn:16458) |
| 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 |
| Back to the main page of this manual or the CP2K home page | (Last update: 22.12.2015) |