Langevin simulation that includes Hydrodynamic Interactions

[Mohalhissi]

Dear LAMMPS users,

My LAMMPS version is 29 Sep 2021.

I use LAMMPS to simulate ellipsoids using fix nve/dotc/langevin command, and I also simulate ellipsoids using fix brownian/asphere command. The interaction potential is the Gay-Berne potential implemented in LAMMPS.

As far as I know theoretically, introducing the hydrodynamic interactions into Langevin equation makes no conflicts as long as we consider the overdamped limit.

I would like to ask if there is a commands in LAMMPS that adds the hydrodynamic interactions, i.e., when a particle moves in a solvent, another particle might be affected by the movement of the first one through the solvent.

Best regards
Mohammed

[akohlmey]

@Mohalhissi

I would like to ask if there is a commands in LAMMPS that adds the hydrodynamic interactions, i.e., when a particle moves in a solvent, another particle might be affected by the movement of the first one through the solvent.

Have you tried using a web search?

For example, if you search on Google for hydrodynamics site:docs.lammps.org it should give you all mentions of the term “hydrodynamics” within the LAMMPS online documentation.