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 step

  • system_runner – a interfaces.IRunner object to run the simulations

  • communicator (ICommunicator) – a communicator object to talk with workers

  • leader (bool) – leader (True) or worker (False) indicator

Return type

None