i-PI 2.0: A universal force engine for advanced molecular simulations

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Authors: Venkat Kapil, Mariana Rossi, Ondrej Marsalek, Riccardo Petraglia, Yair Litman, Thomas Spura, Bingqing Cheng, Alice Cuzzocrea, Robert H. Meißner, David M. Wilkins, Benjamin A. Helfrecht, Przemysław Juda, Sébastien P. Bienvenue, Wei Fang, Jan Kessler, Igor Poltavsky, Steven Vandenbrande, Jelle Wieme, Clemence Corminboeuf, Thomas D. Kühne, David E. Manolopoulos, Thomas E. Markland, Jeremy O. Rich

Journal title: Computer Physics Communications

Journal number: 236

Journal publisher: Elsevier BV

Published year: 2019

Published pages: 214-223

DOI identifier: 10.1016/j.cpc.2018.09.020

ISSN: 0010-4655