Journal
COMPUTER PHYSICS COMMUNICATIONS
Volume 270, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.cpc.2021.108167
Keywords
Arbitrary accuracy; Multiple precision arithmetic; Dynamical systems 05.45.-a; Computational techniques 45.10.-b; Numerical analysis 02.60.Lj; Error theory 06.20.Dk
Funding
- COST action [CA18222]
- Aus-tralian Research Council [DP190102407]
- Department of Building Structures and Material Engi-neering, Faculty of Civil and Environmental Engineering, at Gdask University of Technology
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This paper discusses the implementation of arbitrary precision calculations in the open-source discrete element framework YADE, enabling its use in new fields such as quantum mechanics. The addition of support for high-precision types improves the accuracy of the computation results.
This paper deals with the implementation of arbitrary precision calculations into the open-source discrete element framework YADE published under the GPL-2+ free software license. This new capability paves the way for the simulation framework to be used in many new fields such as quantum mechanics. The implementation details and associated gains in the accuracy of the results are discussed. Besides the standard double (64 bits) type, support for the following high-precision types is added: long double (80 bits), float128 (128 bits), mpfr_float_backend (arbitrary precision) and cpp_bin_float (arbitrary precision). Benchmarks are performed to quantify the additional computational cost involved with the new supported precisions. Finally, a simple calculation of a chaotic triple pendulum is performed to demonstrate the new capabilities and the effect of different precisions on the simulation result. (c) 2021 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
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