Hi everyone,
I am quite new to pymatgen and even newer to lammps and I am struggling a bit writing my lammps input file because I am unsure how I should be collecting the data at the end. I would like to analyze my MDs using pymatgen, specifically loading the data onto a Trajectory, but I don’t quite know how I can do that from lammps.
I am sorry for the basic question and I am sure this must be in the documentation somewhere, but I haven’t been able to find it.
Thanks in advance for your help 