This code creates an interface between plane-wave based codes (particularly QE) and python. It defines several classes and modules which are commonly useful.
- Python3
- See doc/requirements.txt for list of required python packages
To install pw2py, navigate to the root of the repository and execute:
pip install .
To uninstall pw2py execute:
pip uninstall pw2py
To update pw2py execute:
git pull
pip install .
(Development) To symlink the package and scripts to local user site execute:
mkdir -p $(python3 -m site --user-site)
ln -fs $PWD/pw2py $(python3 -m site --user-site)
mkdir -p ~/.local/bin 2> /dev/null
for f in scripts/* ; do ln -fs $PWD/$f ~/.local/bin ; done
Try out the examples under the directory Examples
Tyler J. Smart