| Back to the main page of this manual | Input reference of CP2K version 2.3 (Revision 12341) |
| Specify the annealing coefficient | |
| This optional keyword cannot be repeated and it expects precisely one real. | |
| Default value: 1.00000000E+00 |
| PROJ_VELOCITY_VERLET <LOGICAL> | |
| Uses a Projected Velocity Verlet instead of a normal Velocity Verlet. Every time the cosine between velocities and forces is < 0 velocities are zeroed. | |
| This optional keyword cannot be repeated and it expects precisely one logical. | |
| The lone keyword behaves as a switch to .TRUE. | |
| Default value: .TRUE. |
| SD_LIKE <LOGICAL> | |
| Zeros velocity at each MD step emulating a steepest descent like(SD_LIKE) approach | |
| This optional keyword cannot be repeated and it expects precisely one logical. | |
| The lone keyword behaves as a switch to .TRUE. | |
| Default value: .FALSE. |
| Back to the main page of this manual or the CP2K home page | (Last update: 3.9.2012) |