Dear developer, I run the 08_reactive_md.ipynb, there have a wrong message about "barriers", where can I find the packages?

[Eipgen]

NeuralForceField/nff/reactive_tools/ev_following.py

Line 7 in a69b5fc

from barriers.utils.vib import hessian_and_modes

[simonaxelrod]

Hi Jin,

Thanks for your interest! This commit should fix the issue. It was looking for barriers, which is a sub-directory in the azo_barriers repo. If your work requires the hessian_and_modes function, then you can clone the azo barriers repo and put it in your python path. Otherwise, the new commit should catch the import error and skip the import.

Let me know if this fixes the issue!

SImon

[Eipgen]

Thank you, Developer. Now the code call run OK.