Writing a overdamped Brownian Dynamics fix for LAMMPS. LAMMPS is a very powerful Molecular Dynamics simulation software I use in my daily research. In our research group, we mainly run Langevin Dynamics (LD) or Brownian Dynamics (BD) simulation. However, for some reason, LAMMPS doesn’t provide a …

Learn how to hack your LAMMPS codes. Lessons from studying source codes. This is a note about learning LAMMPS source codes. This note focuses on compute style of Lammps which is used to compute certain quantity during the simulation run. Of course you can as well compute these quantities in post-…