integrator

snap_simulate.hoomd.simulation.build_integrator(int_info, hoomd_objs)

This function parses the integrator block to set up the MD integrator and method.

dt: 0.005
options: {}
method:
  class: "Langevin"
  filter: "all"           # Reference to a filter defined in filters
  options:
    kT: 1.0
  thermostat:             # (Optional) Thermostat block
    class: "MTTK"
    options:
      kT: 1.0
      tau: 0.5
  gamma:                  # (Optional) Particle drag coefficients
    A: 1.0
    B: 2.0

See also

See the HOOMD-blue MD Integration Methods and HOOMD-blue MD Integrator documentation for details on methods and options.