The CP2K project : input section MULTIPLE_WALKERS

Section MULTIPLE_WALKERS

Index of all sections. This section is located at __ROOT__%MOTION%FREE_ENERGY%METADYN%MULTIPLE_WALKERS.

Enables and configures the metadynamics using multiple walkers. This section can not be repeated and can be optional.

Subsections

Section keywords

Keyword descriptions

_SECTION_PARAMETERS_
&MULTIPLE_WALKERS T
Controls the usage of the multiple walkers in a metadynamics run.
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
WALKER_ID
WALKER_ID
Sets the walker ID for the local metadynamics run.
This required keyword expects an integer
NUMBER_OF_WALKERS
NUMBER_OF_WALKERS
Sets the total number of walkers in the metadynamic run.
This required keyword expects an integer
WALKER_COMM_FREQUENCY
WALKER_COMM_FREQUENCY
Sets the frequency (in unit of spawned hills) for the communication between the several walkers, in order to update the local list of hills with the ones coming from the other walkers
This optional keyword expects an integer. Default value: 1
WALKERS_STATUS
WALKERS_STATUS ..
Stores the status of the several walkers in the local run.
This optional keyword expects a list of integers


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