Molden files generated by quantum-chemical program packages are then read with the help of an interface to PyScf, which also calculates the densities and Coulomb potentials at the required grid points. These are then fed into the general interface for evaluating the density-based energy correction. To prevent redundant recalculations, we leveraged the HDF5 file format and the h5py package 74 extensively in our code for storing densities and Coulomb potentials. We note that while in the present work, we only include calculations using Orca, our implementation is general and can be applied in combination with any quantum-chemical program package supported by PyAdf.