Welcome to lammps-cython’s documentation!

Welcome to the lammps-cython wrapper documentation. To get started I recommend you checkout the Installation instructions and then walk through the Tutorial. The installation can be as easy as docker pull of conda install. Full reference documentation is available in the modindex section. The pythonic api heavily borrows from HOOMD but hopefully the community settles on a universal api for molecular dynamics.

  • Full MPI support
  • Pythonic API inspired by HOOMD
  • Supports Python 2 and 3
  • Heavily documented and tested
  • Elimination of unnecessary file I/O

If you immediately want to explore lammps-cython you can use the interactive notebooks provided by binder. They only require a web browser.

from lammps import Lammps
import sys

Indices and tables