Simulation data underlying the publication "Capacitance and Structure of Electric Double Layers: Comparing Brownian Dynamics and Classical Density Functional Theory"

This is the simulation dataset used in the following article:<br>Cats, P., Sitlapersad, R.S.*, den Otter, W.K., Thornton, A.R., van Roij, R.: Capacitance and Structure of Electric Double Layers: Comparing Brownian Dynamics and Classical Density Functional Theory. J Solution Chem (2021). https://doi.org/10.1007/s10953-021-01090-7<br>The dataset includes the input and output data of the simulations (ASCII files), which were performed in LAMMPS, and the codes that were used to analyse the raw simulation data (Matlab script files (.m) and bash script files). Also files with the results reported in the article are shared (Matlab data files (.mat) and text files). In addition, the dataset also contains binary files such as GROMACS trajectory files (.xtc) and LAMMPS restart files.<br><br>

本数据集为下述论文中使用的模拟数据集：
Cats, P., Sitlapersad, R.S.*, den Otter, W.K., Thornton, A.R., van Roij, R.：《双电层的电容与结构：布朗动力学与经典密度泛函理论的对比》，《溶液化学杂志》(J Solution Chem)，2021年。https://doi.org/10.1007/s10953-021-01090-7

本数据集包含模拟的输入与输出数据（ASCII格式文件），此类模拟基于LAMMPS开展，同时包含用于分析原始模拟数据的代码（Matlab脚本文件(.m)与bash脚本文件）。本文中报道的研究结果文件也已共享，包括Matlab数据文件(.mat)与文本文件。

此外，本数据集还包含二进制文件，例如GROMACS轨迹文件(.xtc)与LAMMPS重启文件。