This Python script takes two energy level files and compares the energy levels for a given quantum number tag, and then combines the output.
As per request the filenames, directories, and column numbers are all defined in the script. This can easily be added to a command line argument instead. To run simply do:
python3 match_energy.py
There are tests included in test_match_energy.py. To run the tests do pytest in the same directory as the script and the tests. You must have pytest installed for this.
There is a requirements.txt with the required packages inside. To install these automatically with pip run:
pip install -r requirements.txt