ms2: A molecular simulation tool for thermodynamic properties, new version release
نویسندگان
چکیده
منابع مشابه
ms2: A molecular simulation tool for thermodynamic properties, new version release
A new version release (2.0) of the molecular simulation tool ms2 [S. Deublein, B. Eckl, J. Stoll, S. V. Lishchuk, G. Guevara-Carrion, C. W. Glass, T. Merker, M. Bernreuther, H. Hasse, J. Vrabec, Comput. Phys. Commun. 182 (2011) 2350] is presented. Version 2.0 features a hybrid parallelization based on MPI and OpenMP for molecular dynamics simulation to achieve higher scalability. Furthermore, t...
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ژورنال
عنوان ژورنال: Computer Physics Communications
سال: 2014
ISSN: 0010-4655
DOI: 10.1016/j.cpc.2014.07.012