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For raspberry particles, the friction of the virtual sites is not taken into account for the real particle.
MNWE:
fromespressomdimportSystem, virtual_sitessystem=System(box_l=3*[10])
system.time_step=0.01system.cell_system.skin=0.5system.min_global_cut=2system.virtual_sites=virtual_sites.VirtualSitesRelative()
force=0.3fric=1.2p_real=system.part.add(pos= [1,0,0], ext_force= [force, 0, 0])
p_virt=system.part.add(pos= [2,0,0], virtual=True)
p_virt.vs_auto_relate_to(p_real)
system.thermostat.set_brownian(
kT=0., gamma=fric, act_on_virtual=True, seed=1)
system.integrator.set_brownian_dynamics()
system.integrator.run(1)
print('velocity is ', p_real.v[0])
print('velocity should be ', force/(fric*2))
This also creates problems for rotational dynamics: If I use gamma_rotation = 0, act_on_virtual = True, the rotational friction should come from the virtual beads. At the moment this friction is 0 and any torque leads to undefined angular velocity.
The text was updated successfully, but these errors were encountered:
I wasn't quite conscious that the virtual sites don't feel any friction at all.
If the virtual sites experience friction after solving the issue, how does this look like?
Consider:
If you have for example a lengthy raspberry particle (rod), the transversal friction parallel to the long particle axis should be smaller than the friction parallel to a short axis.
At least that's what I think my Perrin-factors try to tell me.
Can such effects be covered efficiently?
For raspberry particles, the friction of the virtual sites is not taken into account for the real particle.
MNWE:
This also creates problems for rotational dynamics: If I use
gamma_rotation = 0, act_on_virtual = True
, the rotational friction should come from the virtual beads. At the moment this friction is 0 and any torque leads to undefined angular velocity.The text was updated successfully, but these errors were encountered: