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PyADF — A scripting framework for multiscale quantum chemistry
Authors:Christoph R. Jacob  S. Maya Beyhan  Rosa E. Bulo  André Severo Pereira Gomes  Andreas W. Götz  Karin Kiewisch  Jetze Sikkema  Lucas Visscher
Affiliation:1. Center for Functional Nanostructures, Karlsruhe Institute of Technology (KIT), Wolfgang‐Gaede‐Str. 1a, 76131 Karlsruhe, Germany;2. Amsterdam Center for Multiscale Modeling (ACMM), VU University Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands;3. Laboratoire PhLAM, Université de Lille 1, CNRS UMR 8523, Bat P5, F‐59655 Villeneuve d'Ascq Cedex, France;4. San Diego Supercomputer Center, University of California San Diego, 9500 Gilman Drive MC0505, La Jolla, California 92093‐0505
Abstract:
Keywords:
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