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Geoscientific Model Development An interactive open-access journal of the European Geosciences Union
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Discussion papers
https://doi.org/10.5194/gmd-2019-192
© Author(s) 2019. This work is distributed under
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/gmd-2019-192
© Author(s) 2019. This work is distributed under
the Creative Commons Attribution 4.0 License.

Submitted as: model description paper 02 Aug 2019

Submitted as: model description paper | 02 Aug 2019

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This discussion paper is a preprint. A revision of the manuscript for further review has not been submitted.

AtChem, an open source box-model for the Master Chemical Mechanism

Roberto Sommariva1,5, Sam Cox2, Chris Martin3,4, Kasia Borońska4, Jenny Young3, Peter Jimack4, Michael J. Pilling3, Vasileios N. Matthaios5, Mike J. Newland6, Marios Panagi1, William J. Bloss5, Paul S. Monks1, and Andrew R. Rickard6,7 Roberto Sommariva et al.
  • 1Department of Chemistry, University of Leicester, Leicester, UK
  • 2Research Software Engineering Team, University of Leicester, Leicester, UK
  • 3School of Chemistry, University of Leeds, Leeds, UK
  • 4School of Computing, University of Leeds, Leeds, UK
  • 5School of Geography, Earth and Environmental Sciences, University of Birmingham, Birmingham, UK
  • 6Wolfson Atmospheric Chemistry Laboratories, Department of Chemistry, University of York, York, UK
  • 7National Centre for Atmospheric Science, University of York, York, UK

Abstract. AtChem is an open source zero-dimensional box-model for atmospheric chemistry. Any general set of chemical reactions can be used with AtChem, but the model was designed specifically for use with the Master Chemical Mechanism (MCM, http://mcm.york.ac.uk/). AtChem was initially developed within the EUROCHAMP project as a web application (AtChem-online, https://atchem.leeds.ac.uk/webapp/) for modelling environmental chamber experiments; it was recently upgraded and further developed into a standalone offline version (AtChem2) which allows the user to run complex and long simulations, such as those needed for modelling of intensive field campaigns, as well as to perform batch model runs for sensitivity studies. AtChem is installed, set up and configured using semi-automated scripts and simple text configuration files, making it easy to use even for non-experienced users. A key feature of AtChem is that it can easily be constrained to observational data which may have different timescales, thus retaining all the information contained in the observations. Implementation of a continuous integration workflow, coupled with a comprehensive suite of tests and version control software, makes the AtChem codebase robust, reliable and traceable. The AtChem2 code and documentation are available at https://github.com/AtChem/, under the open source MIT license.

Roberto Sommariva et al.
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Status: closed (peer review stopped)
Status: closed (peer review stopped)
AC: Author comment | RC: Referee comment | SC: Short comment | EC: Editor comment
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Interactive discussion
Status: closed (peer review stopped)
Status: closed (peer review stopped)
AC: Author comment | RC: Referee comment | SC: Short comment | EC: Editor comment
Printer-friendly Version - Printer-friendly version Supplement - Supplement
Roberto Sommariva et al.
Roberto Sommariva et al.
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Latest update: 15 Nov 2019
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Short summary
This paper presents the AtChem software which can be used to build box-models for atmospheric chemistry studies. The software is designed to facilitate the use of one of the most important chemical mechanisms used by atmospheric scientists, the Master Chemical Mechanism. Atchem exists in two versions: an online application for laboratory studies and educational/outreach activities, and an offline version for more complex models and batch simulations. AtChem is open source under MIT license.
This paper presents the AtChem software which can be used to build box-models for atmospheric...
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