I am looking for an open-source library that allows to passivate a structure, ideally starting from a xyz-file.
QuantumATK provides a function like this. However, this is not an option at the moment.
If there is no such software, how do you create passivated structures?
Edit: To clarify what I mean when I say "passivate": I mean just adding e.g. H atoms to the dangling bonds.