DFTpy : An efficient and object-oriented platform for orbital-free DFT simulations

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Shao, Xuecheng, Jiang, Kaili, Mi, Wenhui, Genova, Alessandro, Pavanello, Michele. 2020-06-19. DFTpy : An efficient and object-oriented platform for orbital-free DFT simulations. https://doi.org/10.1002/wcms.1482

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