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Published April 2017 | Submitted + Published
Journal Article Open

GRACKLE: a chemistry and cooling library for astrophysics

Abstract

We present the grackle chemistry and cooling library for astrophysical simulations and models. grackle provides a treatment of non-equilibrium primordial chemistry and cooling for H, D and He species, including H₂ formation on dust grains; tabulated primordial and metal cooling; multiple ultraviolet background models; and support for radiation transfer and arbitrary heat sources. The library has an easily implementable interface for simulation codes written in c, c++ and fortran as well as a python interface with added convenience functions for semi-analytical models. As an open-source project, grackle provides a community resource for accessing and disseminating astrochemical data and numerical methods. We present the full details of the core functionality, the simulation and python interfaces, testing infrastructure, performance and range of applicability. grackle is a fully open-source project and new contributions are welcome.

Additional Information

© 2016 The Authors. Published by Oxford University Press on behalf of the Royal Astronomical Society. Accepted 2016 December 14. Received 2016 December 13; in original form 2016 October 24. We are grateful to the anonymous referee whose comments helped to clarify various points in the manuscript. BDS would like to thank Michael Kuhlen for his work on the code in the early stages of the project; the organizers of the AGORA project, Ji-hoon Kim, Joel Primack and Piero Madau for the original motivation for the grackle project; as well as Nick Gnedin, James Wadsley and Romeel Davé for providing useful suggestions for additional functionality. GLB acknowledges support from NASA grant NNX15AB20G and NSF grant 1312888. SCOG acknowledges support from the Deutsche Forschungsgemeinschaft via SFB 881, 'The Milky Way System' (sub-projects B1, B2 and B8) and SPP 1573, 'Physics of the Interstellar Medium' (grant number GL 668/2-1), and from the European Research Council under the European Community's Seventh Framework Programme (FP7/2007-2013) via the ERC Advanced Grant STARLIGHT (project number 339177). NJG and MJT were supported by NSF grant ACI-1535651 and by the Gordon and Betty Moore Foundation's Data-Driven Discovery Initiative through Grant GBMF4651. JHW is supported by NSF grants AST-1333360 and AST-1614333 and Hubble theory grants HST-AR-13895 and HST-AR-14326. AE is supported by a NSF Graduate Research Fellowship grant No. DGE-16-44869. We also thank the NSF for computational resources provided through the XSEDE program. JAR acknowledges support through the STFC capital grant ST/L00075X/1 and the Marie Curie Research Fund, grant 699941. BWO acknowledges support from NASA through grants NNX12AC98G, NNX15AP39G, and Hubble Theory Grants HST-AR-13261.01-A and HST-AR-14315.001-A. BWO was supported in part by the sabbatical visitor program at the Michigan Institute for Research in Astrophysics (MIRA) at the University of Michigan in Ann Arbor, and gratefully acknowledges their hospitality. Work by PA was performed in part under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratiory under Contract DE-AC52-07NA27344. grackle was also made possible by the open-source projects, HDF,6 h5py,7matplotlib (Barrett et al. 2005) and numpy (van der Walt et al. 2011).

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Created:
August 19, 2023
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October 25, 2023