Core

The simulation core drives the MD step.

halmd.mdsim.core.mdstep()

Perform a single MD integration step.

This method is invoked by halmd.observables.sampler.run().

halmd.mdsim.core.on_prepend_integrate(slot)

Connect nullary slot to signal.

Returns:signal connection

halmd.mdsim.core.on_integrate(slot)

Connect nullary slot to signal.

Returns:signal connection

halmd.mdsim.core.on_append_integrate(slot)

Connect nullary slot to signal.

Returns:signal connection

halmd.mdsim.core.on_prepend_finalize(slot)

Connect nullary slot to signal.

Returns:signal connection

halmd.mdsim.core.on_finalize(slot)

Connect nullary slot to signal.

Returns:signal connection

halmd.mdsim.core.on_append_finalize(slot)

Connect nullary slot to signal.

Returns:signal connection