save information of lost atoms

Dear LAMMPS users,

I am wondering if there is any way to save information (e.g. velocity and coordinate) of lost atoms. I am conducting a sputtering simulation and I want to do a statistical analysis of the sputtered atoms. Any helps are greatly appreciated.

-Zhangcan Yang
Purdue University

Nope. When lammps notices they are gone, it is too late. You would have to catch them before.



Thank you for your fast reply. I am thinking to modify the source code to catch the lost atoms. My guess is that there must be some codes that are written to determine if the atoms are outside of the simulation box and then delete them from the atom list. If I can find where these codes are located, then I should be able to save the information of the lost atoms. I am not familiar with the structure of LAMMPS source code. And I believe you are an expert of the LAMMPS code. Could you give me some hints where they should be located? Thanks a lot.


why don't you just define a suitable region that atoms that you care
about have to pass through and use a dump custom with the information
that you want to collect about those and then use dump_modify region
on that dump channel?



The method you suggested works great. Thanks for your help.