Back to the main page of this manual | Input reference of CP2K version 2.5.1 (Revision svn:13632) |
ESCAPE_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+00 |
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-01 |
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+00 |
TEMPERATURE_INIT {Real} | |
Initial temperature in Kelvin | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value: 1.00000000E+02 |
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+00 |
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 |
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