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

Venkat Kapil et al. (2019)

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DOI: 10.1016/J.CPC.2018.09.020

access: closed

type: Journal Article

metadata version: 2025-04-01

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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, Przemyslaw Juda, Sébastien P. Bienvenue, Wei Fang, Jan Kessler, Igor Poltavsky, Steven Vandenbrande, Jelle Wieme, Michele Ceriotti:
i-PI 2.0: A universal force engine for advanced molecular simulations. Comput. Phys. Commun. 236: 214-223 (2019)

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