[lammps-users] How to do normal mode analysis using Lammps?


I am trying to do normal mode analysis of metal nanoparticles. The sizes of these nanoparticles are of the order of several tens of thousands atoms. Do I have to write a separate code and link to Lammps as a library if I want to do normal mode analysis using Lammps?

LAMMPS has no built-in tools for NMA.


Hi Steve

Thank you very much for the information. Are there any examples of calling lammps force calls from other codes? I think I may need to write a new code and use lammps as library and use the lammps force calls.


I think people have done it, but I don't have any examples.
What is easier is to use the LAMMPS library interface
to feed it commands equivalent to what's in an input
script, one line at a time.