Hi all lammps users,
I am new for the LAMMPS and I have a question about the missing neighbors in the neighbor list in the dump file. I would explain what I tried to do.
I am doing some stress calculations related to a force perturbation with 1000 particles in a 2D simulations box. After all the simulation I wanted to find which particle is contacting with which (neighbor list). Actually I can find the neighbor list in two different ways…
first method:
looking at the particle position coordinates which I have dumped out in the dump.cor file. I have no any problem with this…
second method:
Lammps can generates neighbor list and this will show me who are the contacting particles. This where I got the problem…
I found the neighbor list from the both method… But the problem is I am missing some neighbors when I directly used the second method. (I lost around 10% of the neighbors when I compared with the first method). Then I searched which type of neighbor pairs I am missing… Actually all of them were at the boundaries of the simulations box. I guess I haven’t done anything wrong with the introducing periodic boundary conditions… Following is the important steps of the simulation. I did this simulation through 3 different steps using 3 different input files. (I have written all the important steps only).