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({particles = 10000})

-- 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)
  • args.global (boolean) – particle group comprises the whole simulation world (default: true)
label

Particle group label.

particle

Instance of halmd.mdsim.particle.

size

Number of particles in group.

global

The value of args.global passed upon construction.