/pyscf-qed

Quantum-electrodynamical ab initio methods for molecules and periodic systems

Primary LanguagePythonApache License 2.0Apache-2.0

qed module for PySCF

2021-10-13

  • Version 0.1

Install

  • Install to python site-packages folder
pip install git+https://github.com/pyscf/qed
  • Install in a custom folder for development
git clone https://github.com/pyscf/qed /home/abc/local/path

# Set pyscf extended module path
echo 'export PYSCF_EXT_PATH=/home/abc/local/path:$PYSCF_EXT_PATH' >> ~/.bashrc

You can find more details of extended modules in the document extension modules