meld.system.gameld.change_thresholds
- meld.system.gameld.change_thresholds(step, system_runner, communicator, leader)[source]
Change energy thresholds after cMD and GaMELD Equilibration
- Parameters
step (
int) – current stepsystem_runner – a interfaces.IRunner object to run the simulations
communicator (
ICommunicator) – a communicator object to talk with workersleader (
bool) – leader (True) or worker (False) indicator
- Return type
None