ddX was tested through the Tinker/ddX and the Psi4/ddX interfaces. All the calculations have been performed on the JUSTUS2 computer cluster , on nodes equipped with 2 Intel Xeon 6252 Gold and up to 384 GB of memory. For what concerns Tinker/ddX, we used our fork of Tinker 8 at branch ddx, commit d53669b, which is available on GitHub at ddsolvation/tinker-ddX. Tinker was then linked to the ddX shared library obtained by compiling version 0.6.0. Both Tinker and ddX were compiled using the Intel compiler version 19.1.2 and MKL libraries version 2020.2. For what concerns Psi4/ddX, we used the version of Psi4 at branch master, commit 990b0e8. The source code was built in a conda environment containing adcc version 0.15.17 and ddX version 0.6.0 provided through PyPI. Note that in this case, ddX was compiled using the GNU compiler available in the conda environment. Data for reproducibility is available at [92]. The archive contains all the input and output files of the simulations, the conda environment used for Psi4/ddX and Psi4/adcc/ddX calculations, a copy of the employed versions of ddX, Tinker and Psi4, and the Python scripts used for generating the tables and plots of this paper.