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AtChem (version 1), an open-source box model for the Master Chemical Mechanism

机译:ATCHEM(版本1),是母系化学机制的开源盒式模型

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摘要

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/, last access: 16?January?2020). AtChem was initially developed within the EUROCHAMP project as a web application (AtChem-online, https://atchem.leeds.ac.uk/webapp/, last access: 16?January?2020) for modelling environmental chamber experiments; it was recently upgraded and further developed into a stand-alone 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 inexperienced 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 code base robust, reliable and traceable. The AtChem2 code and documentation are available at https://github.com/AtChem/ (last access: 16?January?2020) under the open-source MIT License.
机译:ATCHEM是一种用于大气化学的开源零维盒模型。任何一般的化学反应都可以与ATCHEM一起使用,但该模型专门用于主化学机制(MCM,http://mcm.york.ac.uk/,上次访问:16?1月份?2020) 。 ATChem最初在Eurochamp项目中开发为Web应用程序(Atchem-Online,https://atchem.leeds.ac.uk/webapp/,最后一次访问:16?1月?2020)用于建模环境室实验;它最近被升级并进一步发展成为一个独立的离线版本(ATChem2),允许用户运行复杂和长仿真,例如建模密集型现场运动所需的仿真,以及执行批量模型以进行灵敏度学习。使用半自动脚本和简单的文本配置文件安装ATChem,设置和配置,即使对于缺乏经验的用户,也可以易于使用。 ATChem的一个关键特征是它可以容易地限制对可能具有不同时间尺度的观察数据,从而保留了观察中包含的所有信息。实现连续集成工作流程,与全面的测试和版本控制软件套件相结合,使ATChem码基本稳健,可靠和可追溯。 ATCHEM2代码和文档可在HTTPS://github.com/atchem/(最后访问:16?1月份?2020)下获得,在开源MIT许可下。
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