_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 | | | | |