pairs¶

snap_simulate.hoomd.simulation.build_pairs(Pairs, atom_types, nlists)[source]¶

This function parses the pairs block to register non-bonded pair potentials.

LJ:
  class: "LJ"
  nlist: "cell"           # Reference to a neighbor list defined in nlist
  options: {}
  default_params:
    epsilon: 1.0
    sigma: 1.0
  params:
    - ["A", "B", {"epsilon": 1.5, "sigma": 1.0}]
  rcuts:
    - ["A", "B", 2.5]