[lammps-users] Changing atom types


I am trying to change atom type in some of the coordinates in my simulation cell. I have got the coordinates where I need to change in an array in matlab, but I am not able to employ that array into the input script. Is there any way by which we can introduce an array form matlab to input-script?

Thank you,
Shashwat Namdeo
Mississippi State University

There is no input script command in LAMMPS that
uses a MATLAB-like syntax to define an array.

There is a set command which will let you
change atom types in various ways. If you know
the list of atom IDs you want to change, then you
could generate a list of set lines which would do it.

Or you can always write your own command and
add it to LAMMPS to do something like this. See
the doc/Section_modify.html page for "commands".