Maximum Displacement

This module monitors the maximum displacement of particles with regard to a certain start position. As this is only needed for the halmd.mdsim.neighbour module, it exports no functions and direct construction is not necessary.

class halmd.mdsim.max_displacement(args)

Construct Maximum Displacement module

Parameters:

• args (table) – keyword arguments

• args.particle – instance of halmd.mdsim.particle

• args.box – instance of halmd.mdsim.box

particle

Instance of halmd.mdsim.particle.

disconnect()

Disconnect module from profiler.