peteboyd / lammps_interface

automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
MIT License
125 stars 63 forks source link

Python module structure. #4

Closed kbsezginel closed 6 years ago

kbsezginel commented 6 years ago

I structured the files as a Python module, added a setup script and travis integration. Also made some PEP8 style changes. It would be nice to add some tests in the future.