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.