LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
[lammps-users] fix doesn't work with periodic boundary condition
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[lammps-users] fix doesn't work with periodic boundary condition

From: Quang Ha <quang.t.ha.20@...24...>
Date: Wed, 1 Nov 2017 18:30:05 -0400

Hi all,

I have written my fix to calculate the diffusion of the concentration, linked below if anyone has some time for inspection (would be grateful!) 

I am having problem with setting the boundary, instead of being fixed (f), I want it to be periodic instead. It seems like I have some troubles communication for the atoms at the boundary. How should I go around to fix it?


new fix style mentioned:

and input script:
changing either the x-dimension or the y-dimension from f to p will give wrong simulation result...