Binning¶
This module implements the method of cell lists. It splits up the simulation box into smaller boxes and assigns each particle into one sub-box. This enables faster look-up for particles that interact with a cut-off potential.
-
class
halmd.mdsim.
binning
(args)¶ Construct binning module instance.
Parameters: - args (table) – keyword arguments
- args.particle – instance of
halmd.mdsim.particle
- args.box – instance of
halmd.mdsim.box
- args.r_cut (table) – cutoff radius matrix for the potentials
- args.skin (number) – neighbour list skin (default:
0.5
) - args.occupancy (number) – initial cell occupancy (GPU variant only, default:
0.5
)
-
r_cut
¶ Cut-off radius matrix for the particle interactions.
-
r_skin
¶ “Skin” of the particle. This is an additional distance ratio added to the cutoff radius for the minimal edge lengths of the cells.
-
particle
¶ Instance of
halmd.mdsim.particle
.
-
disconnect
()¶ Disconnect binning module from profiler.