Help Aboutt Using Your Model

[NastaMauger]

Hello,

I recently read your paper and noticed it links to this GitHub repository. I would like to use the model, but I'm a bit confused about how to proceed. Additionally, I'm unsure whether to choose this repository or AimNEt2, as the first one hasn’t been updated in a while and lacks documentation.

Could you please clarify how I can use this model to study my system? Should I first install AimNEt2 and then run the following code?

from aimnet2calc import AIMNet2Calculator  
calc = AIMNet2Calculator('aimnetcentral')  

I’d greatly appreciate any guidance on how to get started with your latest model.

Thank you in advance for your help.
Best