Compile LAMMPS as shared library

git clone https://github.com/lammps/lammps.git cd lammps/src python Make.py -m mpi -png -s ffmpeg exceptions -a file

make -j 4 mode=shlib auto cd ../..

Install Python package

virtualenv testing source testing/bin/activate

(testing) cd lammps/python (testing) python install.py (testing) pip install jupyter matplotlib mpi4py

(testing) cd ../../examples

Launch jupter and work inside browser

(testing) jupyter notebook

Use Ctrl+c to stop jupyter

finally exit the virtualenv

(testing) deactivate