This folder contains (not necessarily 100% up-to-date) sample jupyter 
notebooks demonstrating the electrochemistry sub-module's functionality
as well as sample bash scripts making use of the electrochemistry 
module's command line interface for simple parametric sweeps.

For proper versioning, these notebooks are stored as jupytext-generated .py 
files and auto-converted .html files. Run `to_html.sh` to convert python files
first to .ipynb, then to .html, i.e. with
    
    ls -1 *.py | grep -v to_html.py | bash to_html.sh


Look into the *_batch subfolders. Run a sample 'pipeline'
of pnp, c2d and stericify from within this folder, i.e. with

    bash pcs_pipeline.sh 2>&1 | tee pcs_pipeline.log

and check the results below above-mentioned sub-folders.

png files show sample results from batch sweeps.
