How to calculate bond length using ase?

Question

I know a function ase.Atoms.get_distance but I don't know how to use it.

Is there other functions I can use and how to use it ?

Answer 1

If you know the number of the atom object in your atoms object you could probably do something like atoms[1].get_position and atoms[2].get_position and subtract the vectors.

Answer 2

If mol is an ase.Atoms object, use:

mol.get_distance(atom_index1, atom_index2)