Installation

• Clone and install from this repository.

• If installing in Windows, we recommend the use of WSL.

git clone https://github.com/wasserman-group/CADMium.git
cd CADMium
pip install .

pylibxc must be installed as well.

pip install pylibxc2

• Alternative, one can install libxc through conda and install pylibxc manually.

conda install -c conda-forge libxc
wget http://www.tddft.org/programs/libxc/down.php?file=5.0.0/libxc-5.0.0.tar.gz # Replace with most recent libxc download link
tar -xf libxc-5.0.0.tar.gz                                                      # Replace with name of downloaded file
cd libxc-5.0.0                                                                  # Replace with name of downloaded file
python setup.py install