Clock

The clock tracks simulation step and time, and defines the integration time step.

Example:

local clock = require("halmd.mdsim.clock")
clock.on_set_timestep(function(timestep)
    print(("time step has changed to %g"):format(timestep))
end)

halmd.mdsim.clock.step

Current simulation step.

halmd.mdsim.clock.time

Current simulation time in MD units.

halmd.mdsim.clock.timestep

Integration time step in MD units.

halmd.mdsim.clock.advance()

Manually advance the clock by one step. The method should be used with care by experienced users only.

halmd.mdsim.clock.set_timestep(timestep)

Define integration time step.

The value of the time step is propagated to all integrators.

halmd.mdsim.clock.on_set_timestep(slot)

Connect a unary slot that accepts the integration time step.

This slot is called after setting the time step with set_timestep().