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
Lammps(args=sys.args)
Contents: