MULTIPLE_WALKERS

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

Subsections

WALKERS_FILE_NAME

Keywords

SECTION_PARAMETERS
NUMBER_OF_WALKERS
WALKERS_STATUS
WALKER_COMM_FREQUENCY
WALKER_ID

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]