Sarkas: A fast pure-python molecular dynamics suite for plasma physics

نویسندگان

چکیده

We present an open-source, performant, pure-python molecular dynamics (MD) suite for non-ideal plasmas. The code, Sarkas, aims to accelerate the research process by providing MD code complete with pre- and post-processing tools. Sarkas offers ease of use Python while employing Numba library obtain execution speeds comparable that compiled languages. available tools in include graphical displays equilibration through a Jupyter interface ability compute quantities such as, radial distribution functions, autocorrelation Green-Kubo relations. Many force laws used simulate plasmas are included namely, pure Coulomb, Yukawa Molière pair-potentials. also contains quantum statistical potentials fast Ewald methods where necessary. An object-oriented approach allows easy modification as adding new time integrators, boundary conditions laws. Program Title: CPC Library link program files: https://doi.org/10.17632/zwpr5mpwms.1 Developer's repository link: https://github.com/murillo-group/sarkas Licensing provisions: MIT Programming language: Nature problem: Molecular is important tool plasma physics research. wealth codes not designed problems. written low-level languages do provide libraries. These instead researchers interpreted languages, forcing have high level computing background. Solution method: Development physics, most commonly physics. entirely enhanced user-friendliness. slow speed mitigated using which just-in-time compiler Python.

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ژورنال

عنوان ژورنال: Computer Physics Communications

سال: 2022

ISSN: ['1879-2944', '0010-4655']

DOI: https://doi.org/10.1016/j.cpc.2021.108245