eDFTpy combines Kohn-Sham Density Functional Theory (KS-DFT) and orbital-free DFT (OF-DFT) in an embedding framework that distills the best of both worlds — only weak intermolecular interactions are left to OF-DFT, and strong intramolecular interactions to KS-DFT. The code achieves near-ideal linear scaling with system size, and is based on DFTpy, developed by PRG at Rutgers University-Newark.
