I have what I hope is a quick to resolve issue. I’m trying to use the Crystal Toolkit app. Within the app, I’m want to “apply transformation” to convert one element to another, but I keep getting the error:
Error:init() missing 1 required positional argument:‘species_map’
For simplicity sake, take the cubic NaCl phase and convert Na → K. In the ‘apply transformation’ filter, I think I just put ‘K’ (without quotes) in the “New Species” box and turn on the filter. But when I do, the same error as above appears. This happens for all starting compositions I try. I tried entering the the element with quotes, and with braces, but the error still occurs.
I’ve tried looking at the pymatgen documentation, but I can’t seem to find a solution to the error there.
Any advice and/or help would be greatly appreciated!