Adsorbate interaction tutorial

[Lillejanur]

I am trying to reproduce the automatic fitting of adsorption-adsorption interaction parameters from the tutorial. I have included "interaction_fitting_mode = 'average_self'" as instructed, and when I run mkm_job.py, I get an error. Please find attached the files; the error message is in "err.txt".

My dependencies are as follows: Python 3.9.1 Numpy 1.20.2 Scipy 1.6.2 Mpmath 1.2.1

Could you help me?

including_adsorbate_interactions.zip