A LAMMPS wrapper using pymatgen
This is a package that I wrote to write input files for LAMMPS and
analyze them because I was not happy with the one built inside of
pymatgen
. It has built in calculators for running many lammps
calculations in parallel (many short small LAMMPS calculations).
Now that I have put some serious effort into my cython wrapper to LAMMPS. I would recommend it instead. You get significantly better performance and LAMMPS is now built into the python process. lammps-cython.