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Oleg E. Peil 7e13c1cb5b Fixed inequivalent shell determination
It was incorrect to ascribe VASP atomic sort to corr_shell['sort'],
the latter having a different meaning. According to the terminology of
Wien2k a sort determines an equivalence class of atoms.
Since the implementation at the moment does not support symmetries
the atom index is now used as a 'sort' index to make sure that all shells
remain inequivalent.
2015-11-10 19:16:41 +01:00
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