DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package |
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| Institution: | 1. Department of Mechanical Engineering, Graduate School of Engineering, University of Fukui, 3-9-1 Bunkyo, Fukui, Fukui 910-8507, Japan;2. Department of Adaptive Machine Systems, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871, Japan;1. Department of Civil Engineering, Qingdao Technological University, China;2. Department of Civil and Environmental Engineering, the Hong Kong University of Science and Technology, Clear Water Bay, Hong Kong;3. Department of Materials, Wuhan University of Technology, Wuhan, China;1. Manchester Institute of Biotechnology and Department of Chemical Engineering and Analytical Science, The University of Manchester, 131 Princess Street, Manchester M1 7DN, United Kingdom;2. Department of Chemistry, Indian Institute of Technology Guwahati, Guwahati (Assam) 781039, India |
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| Abstract: | DL_POLY_2.0 is a general-purpose parallel molecular dynamics simulation package developed at Daresbury Laboratory under the auspices of the Council for the Central Laboratory of the Research Councils. Written to support academic research, it has a wide range of applications and is designed to run on a wide range of computers: from single processor workstations to parallel supercomputers. Its structure, functionality, performance, and availability are described. |
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