Support Pymatgen Species object in aims #4118
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Summary
As of now, the basis set for the site in FHI-aims input files got chosen according to the site element. This PR enables the support of Species object when present in the structure, which should make setting up heterogeneous calculations with FHI-aims and Pymatgen easier.
Major changes:
species_stringinSpeciesDefaultsclass addedgeometry.infile, adding support forspecies_stringthere as well