I know, I know. Thank you for responding to my question. What I want to ask is why you sort them like this, for example ('B', 0), ('B', -1) and ('Br', 0), ('Br', -1), ('Br', 2), etc. all start with 0 charge, then why 'I' starts with -1 charge，such as ('I', -1), ('I', 0), ('I', 1), ('I', 2), ('I', 3)?

[Turningl]

    I know, I know. Thank you for responding to my question. What I want to ask is why you sort them like this, for example ('B', 0), ('B', -1) and ('Br', 0), ('Br', -1), ('Br', 2), etc. all start with 0 charge, then why 'I' starts with -1 charge，such as ('I', -1), ('I', 0), ('I', 1), ('I', 2), ('I', 3)?

Originally posted by @sincebreeze in #14 (comment)

[wengong-jin]

Oh I see. Uh... There is no particular ordering I think... The order doesn't change the result and I don't remember why there are in this order...