JelfsMaterialsGroup / stko

A collection of molecular optimisers and property calculators for use with stk.
https://stko-docs.readthedocs.io/en/latest/
MIT License
22 stars 8 forks source link

Documentation issues with MacroModel classes #168

Closed andrewtarzia closed 10 months ago

andrewtarzia commented 11 months ago

I am not super familiar with these classes because I did not write them and do not use them. However, it seems in the two accessed classes, the bond fixing differs quite dramatically (one is aware of bond_info, one is dependant on arguments to init).

This needs to be fixed.