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QUANTUM MULTISCALE

embedded DFTpy: eDFTpy

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eDFTpy is a Python based code to run embedding simulations with any Kohn-Sham solver. eDFTpy drives ab-initio dynamics with ASE and handles orbital-free DFT subsystems with DFTpy. It has not yet been released, but you can glance at its features at the link below.
edftpy.rutgers.edu
We are grateful to the following sponsors
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