pymatgen-lammps

A LAMMPS wrapper using pymatgen


Keywords
lammps, pymatgen, wrapper
License
MIT
Install
pip install pymatgen-lammps==0.5.1

Documentation

Lammps Wrapper

Latest Release latest release
latest release
License license
Build Status travis ci pipeline status

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.