Implementing Active Ornstein–Uhlenbeck Particles (AOUP) in LAMMPS

LAMMPS LAMMPS Development
1

Hello,

I am working on active matter simulations and I would like to implement the Active Ornstein–Uhlenbeck Particle (AOUP) model in LAMMPS.
For Active Brownian Particles (ABPs), the recent versions of LAMMPS already provide an inbuilt method through the command: fix propel/self .This makes it straightforward to implement self-propulsion with rotational diffusion.
However, I could not find an equivalent inbuilt fix for AOUPs, where the active force follows an Ornstein–Uhlenbeck process.
Is there any existing LAMMPS fix (in standard packages or USER packages) that implements AOUP dynamics directly?
Any guidance or references to existing implementations would be greatly appreciated.

Thank you very much.

Best regards,
Baburao

2

If there is nothing in the LAMMPS source code, we don’t know about it.

There may be an implementation done by someone that has not been submitted for inclusion, but we wouldn’t know about it and it is not likely for the author to be following this forum.

You need do do an exhaustive search of the published literature and the web and sites like GitHub or GitLab and hope to get lucky.

Most likely, you will have to resort to C++ programming and implement the desired feature yourself. This is how most of the features in LAMMPS came to be.

3

Thanks for your kind reply