diffsims

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Is your feature request related to a problem? Please describe. In some CIF files, atoms are given by their ionic names (e.g. Fe2+ instead of Fe). This is (sometimes) the case for generated files from The Materials Project. This actually results in failure of get_element_id_from_string().

Describe the solution you'd like A simple regexp to automatically trim the atom names.

Describe alternatives you've considered The user can edit the CIF file to remove the exponents.