MULTIPLE_WALKERS

Enables and configures the metadynamics using multiple walkers. [Edit on GitHub]

Subsections

Keywords

Keyword descriptions

SECTION_PARAMETERS: logical = F

Lone keyword: T

Usage: &MULTIPLE_WALKERS T

Controls the usage of the multiple walkers in a metadynamics run. [Edit on GitHub]

NUMBER_OF_WALKERS: integer

Usage: NUMBER_OF_WALKERS

Sets the total number of walkers in the metadynamic run. [Edit on GitHub]

WALKERS_STATUS: integer

Usage: WALKERS_STATUS ..

Stores the status of the several walkers in the local run. [Edit on GitHub]

WALKER_COMM_FREQUENCY: integer = 1

Usage: 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 [Edit on GitHub]

WALKER_ID: integer

Usage: WALKER_ID

Sets the walker ID for the local metadynamics run. [Edit on GitHub]