论文标题
Sportran：从（多元）当前时间序列的CEPSTRAL分析中估算传输系数的代码
SporTran: a code to estimate transport coefficients from the cepstral analysis of (multivariate) current time series
论文作者
论文摘要
Sportran是一种Python实用程序，旨在基于绿色Kubo线性响应理论，旨在估计扩展系统中的通用传输系数，以及最近引入的分子动力学模拟生成的当前时间序列的Cepstral分析。 Sportran可以应用于单变量和多变量时间序列。 CEPSTRAL分析需要用户的最低酌处权，因为它弱取决于两个参数，其中一个参数是由统计模型选择标准自动估算的，该标准可以单次确定所得的准确性。为了促进这些参数的最佳细化，Sportran具有易于使用的图形用户界面。还提供了命令行界面和Python API，易于嵌入复杂的数据分析工作流中。
SporTran is a Python utility designed to estimate generic transport coefficients in extended systems, based on the Green-Kubo theory of linear response and the recently introduced cepstral analysis of the current time series generated by molecular dynamics simulations. SporTran can be applied to univariate as well as multivariate time series. Cepstral analysis requires minimum discretion from the user, in that it weakly depends on two parameters, one of which is automatically estimated by a statistical model-selection criterion that univocally determine the resulting accuracy. In order to facilitate the optimal refinement of these parameters, SporTran features an easy-to-use graphical user interface. A command-line interface and a Python API, easy to embed in complex data-analysis workflows, are also provided.
