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)
- particle¶
Instance of halmd.mdsim.particle
- size¶
Number of particles in group.
- global¶
The value of args.global passed upon construction.