[lammps-users] Variable bin thickness for compute chunk/atom bin/1d command.

Dear LAMMPS users,

I am using LAMMPS version 8 Apr 2021. I have a test case of liquid gas vaporization and I am trying to evaluate the density and temperature distribution along x-direction (where the liquid-vapour interface lies) using ‘compute chunk/atom’ and ‘fix ave/chunk’. I want to vary the thickness (delta) of the bins in the ‘compute chunk/atom bin/1d’ command to have smaller bins in the liquid phase and larger bins in the gas phase. Is there a way to do it instead of using 2 different ‘compute chunk/atom’ commands for the liquid and gas phase? Please let me know.


Arijit Majumdar

PhD student, Mechanical Engineering,

Stanford University

All available options for defining chunks are provided in the documentation of the compute chunk/atom command.