def test_pickling(simulation_factory, two_particle_snapshot_factory):
nlist = Cell(0.4)
pickling_check(nlist)
lj = hoomd.md.pair.LJ(nlist, default_r_cut=1.1)
lj.params[('A', 'A')] = dict(epsilon=1, sigma=1)
lj.params[('A', 'B')] = dict(epsilon=1, sigma=1)
lj.params[('B', 'B')] = dict(epsilon=1, sigma=1)
integrator = hoomd.md.Integrator(0.005, forces=[lj])
integrator.methods.append(
hoomd.md.methods.Langevin(hoomd.filter.All(), kT=1))
sim = simulation_factory(
two_particle_snapshot_factory(particle_types=["A", "B"], d=2.0))
sim.operations.integrator = integrator
sim.run(0)
pickling_check(nlist)
def test_auto_detach_simulation(simulation_factory,
two_particle_snapshot_factory):
nlist = Cell(buffer=0.4)
lj = hoomd.md.pair.LJ(nlist, default_r_cut=1.1)
lj.params[('A', 'A')] = dict(epsilon=1, sigma=1)
lj.params[('A', 'B')] = dict(epsilon=1, sigma=1)
lj.params[('B', 'B')] = dict(epsilon=1, sigma=1)
lj_2 = cp.deepcopy(lj)
lj_2.nlist = nlist
integrator = hoomd.md.Integrator(0.005, forces=[lj, lj_2])
integrator.methods.append(
hoomd.md.methods.Langevin(hoomd.filter.All(), kT=1))
sim = simulation_factory(
two_particle_snapshot_factory(particle_types=["A", "B"], d=2.0))
sim.operations.integrator = integrator
sim.run(0)
del integrator.forces[1]
assert nlist._attached
assert hasattr(nlist, "_cpp_obj")
del integrator.forces[0]
assert not nlist._attached
assert nlist._cpp_obj is None
def test_cell_specific_params():
nlist = Cell()
_assert_nlist_params(nlist, dict(deterministic=False))
nlist.deterministic = True
_assert_nlist_params(nlist, dict(deterministic=True))