论文标题
Atomec：开源平均原子Python代码
atoMEC: An open-source average-atom Python code
论文作者
论文摘要
平均原子模型是在极端条件下研究物质的重要工具，例如行星岩心，棕色和白色矮人以及惯性限制融合期间经历的条件。在正确的情况下，平均原子模型可以产生与模拟相似的结果，这些模拟需要更多的计算时间，从而可以大大降低财务和环境成本。不幸的是，由于可能的模型和近似值很广，并且缺乏开源代码，因此平均原子模型有时似乎无法访问。在本文中，我们介绍了我们的开源平均原子代码Atomec。我们解释了Atomec在平均原子计算中阐明不同阶段和选择的目的和结构，并促进社区贡献。我们还讨论了在Atomec中使用各种开源Python包装的使用，这些包裹加速了其开发。
Average-atom models are an important tool in studying matter under extreme conditions, such as those conditions experienced in planetary cores, brown and white dwarfs, and during inertial confinement fusion. In the right context, average-atom models can yield results with similar accuracy to simulations which require orders of magnitude more computing time, and thus can greatly reduce financial and environmental costs. Unfortunately, due to the wide range of possible models and approximations, and the lack of open-source codes, average-atom models can at times appear inaccessible. In this paper, we present our open-source average-atom code, atoMEC. We explain the aims and structure of atoMEC to illuminate the different stages and options in an average-atom calculation, and to facilitate community contributions. We also discuss the use of various open-source Python packages in atoMEC, which have expedited its development.
