Generating an Initial Configuration
Placement on a lattice is a common choice
- gives rise to “magic” numbers frequently seen in simulations
2D; N = 2n2 (8, 18, 32, 50, 72, 98, 128, …)
3D, face-center cubic (fcc);
N = 4n3 (32, 128, 256, 500, 864, 1372, 2048,…)
Other options involve “simulation”
- place at random, then move to remove overlaps
- randomize at low density, then compress
- other techniques invented as needed
Orientations done similarly
- lattice or random, if possible
hexagonal incompatible with cubic PBC