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count_elements
1 parent d56f964 commit a0e021cCopy full SHA for a0e021c
1 file changed
src/vasp_snake/cell.py
@@ -30,6 +30,6 @@ def count_elements(filename):
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poscar = Poscar.from_file(filename)
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atomic_numbers = poscar.structure.atomic_numbers
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# Convert atomic numbers to element symbols
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- symbols = [Element.from_Z(z) for z in atomic_numbers]
+ symbols = [Element.from_Z(z).symbol for z in atomic_numbers]
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counts = dict(Counter(symbols))
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return counts
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