spglib
Full name: ase2sprkkr.bindings.spglib
Description
Wrapper for spglib for computing symmetry of a primitive cell
Functions
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Return the object that describe equivalence classes of the atoms from the given Atoms object (i.e. in one equivalence class will be the atoms with the same atomic number, occupation, etc.). |
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Backward compatibility |
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Return array of class-equivalence-numbers of sites of a given Atoms object |