Previous authors (https://iopscience.iop.org/article/10.1209/0295-5075/112/66003) have added a many-body potential to LAMMPS which is derived from the second area moment of the Voronoi cells, creating a system known as “Voronoi liquid.” As I do not have access to their code, I would like to replicate this. I am also new to LAMMPS and would appreciate a bit more explanation where p…

hiii… I’m new to LAMMPS. I’m simulation water solution with graphyne membranes. my problem is that after applying force to piston membrane with velocity and also applying velocity to water solution box it is not completely passing through membrane. can anyone please suggests me a modification? or guide me about errors in my input file. I’m attaching my input here. thank you. lamm…

Dear LAMMPS users, I want to simulate a system of Brownian ellipsoids in 2d. The interaction I used is GayBerne potential. When I use the integration of “fix nve/asphere” or “fix nvt/asphere”, it can run correctly. But when I use the “fix brownian/asphere”, there will be atom lost in the simulation. Below is the script I used. Is there any error in the script? Thanks! ###########…

Hi all, I recently conducted a comparative analysis of energy calculations in LAMMPS simulations, specifically focusing on the utilization of the mix arithmetic command. In one case, I provided all mixed pair coefficients directly in the input file, while in the other, I employed mix arithmetic and only included diagonal pair coefficients (i.e., 1 1, 2 2, and so forth) in the inpu…