lammps/python/examples/pylammps
Richard Berger d3169eeab3 Remove Make.py reference in PyLammps examples
Also fixes some regressions due to command syntax changes
2017-07-31 13:56:20 -06:00
..
dihedrals Remove Make.py reference in PyLammps examples 2017-07-31 13:56:20 -06:00
montecarlo Remove Make.py reference in PyLammps examples 2017-07-31 13:56:20 -06:00
mpi4py Created PyLammps documentation 2016-11-18 23:58:57 -07:00
.gitignore Remove Make.py reference in PyLammps examples 2017-07-31 13:56:20 -06:00
README Created PyLammps documentation 2016-11-18 23:58:57 -07:00
interface_usage.ipynb Remove Make.py reference in PyLammps examples 2017-07-31 13:56:20 -06:00
interface_usage_bonds.ipynb Remove Make.py reference in PyLammps examples 2017-07-31 13:56:20 -06:00
simple.ipynb Remove Make.py reference in PyLammps examples 2017-07-31 13:56:20 -06:00

README

# 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