grogupy._core.decipher
- grogupy._core.decipher(tag: str) tuple[list[int], None | list[int], None | list[int]][source]
Gets the
atom,landorbfrom the tag of the magnetic entity.Parameters
- tagstr
The tag of the magnetic entity that we want to decipher
Returns
- atomlist[int]
The atoms from the tag
- lUnion[None, list[int]]
The shells from the tag
- orbUnion[None, list[int]]]
The orbitals from the tag
Raises
- Exception
The tag was not created by the conventional format