The project can easily be installed with pip.

pip install tad-dftd3

From source#

This project is hosted on GitHub at dftd3/tad-dftd3. Obtain the source by cloning the repository with

git clone
cd tad-dftd3

We recommend using a conda environment to install the package. You can setup the environment manager using a mambaforge installer. Install the required dependencies from the conda-forge channel.

mamba env create -n torch -f environment.yml
mamba activate torch

Install this project with pip in the environment

pip install .

The following dependencies are required