All primary data files of measurements and processed data of the journal article mentioned under related publications from C6 group can be found here.

The data is structured according to figures and schemes in the research article and contains the following data types: text files, .ipynb (jupyter notebooks), .py (python files)

The important script of this dataverse is the fluctuating_reactive_ek.ipynb jupyter notebook. To run this notebook properly one would need the 3 additional files poisson.py, ideal_gas_md_hist.dat and coulomb_gas_md_hist.dat, which hold the MD data to compare to and help to solve the poisson equation. The fluctuating_reactive_ek_validation.ipynb uses more time steps, which were used to create the data in the corresponding publication. In the performance folder, there are the scripts that were used to measure calculation time of the method in the bwunicluster. The measured times are also included here., In the espresso folder there is the note of the espresso commit used and the patch apllied to it. Also there are the scripts to run the ESPResSo simulations.