Metadata-Version: 2.1
Name: pymatgen-lammps
Version: 0.4.4
Summary: A LAMMPS wrapper using pymatgen
Home-page: https://gitlab.com/costrouc/pymatgen-lammps
Author: Chris Ostrouchov
Author-email: chris.ostrouchov+pymatgen-lammps@gmail.com
License: UNKNOWN
Download-URL: https://gitlab.com/costrouc/pymatgen-lammps/repository/archive.zip?ref=v0.4.4
Keywords: lammps pymatgen wrapper
Platform: UNKNOWN
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3.6
Description-Content-Type: text/markdown
Provides-Extra: zmq_legos
Requires-Dist: pymatgen (==2017.7.4)
Provides-Extra: zmq_legos
Requires-Dist: zmq-legos; extra == 'zmq_legos'

# Lammps Wrapper

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](https://gitlab.com/costrouc/lammps-cython).


