Friendly interface for QM/MM calculations

This installation also includes the DYNAMO^N package.

1. Clone the repository in your preferred location.
2. Install the required dependencies with Python 3.10+.
3. Set the environment variables of JACQUES (and DYNAMO^N). For a better usability, source the file jacques.rc in your .bashrc.
4. Compile DYNAMON with a Fortran compiler. (Tested with gfortran)

git clone --recursive https://github.com/boneta/jacques
python3 -m pip install -r jacques/requirements.txt
source jacques/jacques.rc
make -C $DYNAMON/src

For more information, see the documentation.

jacques <mode> [options]