Lattice¶
This module places particles on a face-centered cubic (fcc) lattice. Optionally, the lattice may be restricted to a cuboid (“slab”) centred and aligned with the simulation box.
- class halmd.mdsim.positions.lattice(args)¶
Construct Lattice module
Parameters: - args (table) – keyword arguments
- args.particle – Instance of halmd.mdsim.particle.
- args.box – Instance of halmd.mdsim.box.
- args.slab (table) – Vector specifying the fraction of the box size to be filled (optional).
- slab¶
Restrict the lattice to a slab of given extents relative to the box size, the slab is centred within the simulation box. More generally, the lattice may be restricted to a cuboid aligned with the box since each direction may be less than unity. The default is {1, … 1}, i.e., no restriction.
- set()¶
Set all particle positions on an fcc lattice.
- disconnect()¶
Disconnect module from profiler.