(see the 'labels' on the atom list)
Expected behavior
return the same labels.
Additional context
Accurate parsing of the species object is important for restarts and for testing, as they help to avoid obsolete callings of other functions while performing tests, which may cause unrelated failures.
:smile:
Describe the bug ARCSpecies does not show atom labels for the mol object if it was generated from a
species_dict
How to reproduce
even though the species_dict does have atom labels:
(see the 'labels' on the atom list) Expected behavior return the same labels.
Additional context Accurate parsing of the species object is important for restarts and for testing, as they help to avoid obsolete callings of other functions while performing tests, which may cause unrelated failures. :smile: