| Back to the main page of this manual | Input reference of CP2K version 8.1 |
CP2K_INPUT /
SWARM /
GLOBAL_OPT /
MINIMA_CRAWLINGESCAPE_HISTORY_LENGTH {Integer} |
|
| Number of escapes averaged for scoring of minima. | |
| This keyword cannot be repeated and it expects precisely one integer. | |
Default value:
10 |
TEMPDIST_INIT_WIDTH {Real} |
|
| Initial width of temperature distribution. | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.00000000E+000 |
TEMPDIST_UPDATE_HEIGHT {Real} |
|
| Height of gaussian used to update temperature distribution. | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E-001 |
TEMPDIST_UPDATE_WIDTH {Real} |
|
| Width of gaussian used to update temperature distribution. | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.00000000E+000 |
TEMPERATURE_INIT {Real} |
|
| Initial temperature in Kelvin | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+002 |
TEMPSTEP_BASE {Real} |
|
| Base used to calculate temperature steps base**n | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.10000000E+000 |
TEMPSTEP_MAX {Integer} |
|
| Maximum number of temperature steps. | |
| This keyword cannot be repeated and it expects precisely one integer. | |
Default value:
100 |
WORKER_PER_MINIMA {Integer} |
|
| Maximum number of active workers per Minima. | |
| This keyword cannot be repeated and it expects precisely one integer. | |
Default value:
3 |
| Back to the main page of this manual or the CP2K home page | (Last update: 14.12.2021) |