All

A particle group represents a subset of particles, which is defined by an instance of particle together with a sequence of indices.

Example:

-- construct particle instance for given simulation domain
local system = halmd.mdsim.particle({box = box, particles = 10000, species = 1})

-- select all particles
local group_all = halmd.mdsim.particle_groups.all({particle = particle})

class halmd.mdsim.particle_groups.all(args)

Construct particle group from all particles.

Parameters:

• args (table) – keyword arguments
• args.particle – instance of halmd.mdsim.particle
• args.label (string) – group label (defaults to halmd.mdsim.particle.label)

particle

Instance of halmd.mdsim.particle

size

Number of particles in group.