Full Pair Force

class halmd.mdsim.forces.pair_full(args)

Construct full pair force.

Parameters:

• args (table) – keyword arguments
• args.particle – instance of halmd.mdsim.particle
• args.box – instance of halmd.mdsim.box
• args.potential – instance of halmd.mdsim.potentials

potential

Instance of halmd.mdsim.potentials.

get_net_force()

Returns unordered sequence with particle forces.

get_en_pot()

Returns unordered sequence with potential energies.

get_stress_pot()

Returns unordered sequence with potential parts of stress tensors.

get_hypervirial()

Returns unordered sequence with hypervirials.

disconnect()

Disconnect force from profiler.