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1 parent 6a0a79e commit aaebc19Copy full SHA for aaebc19
pymatgen/analysis/defects/thermo.py
@@ -1096,11 +1096,11 @@ def get_interp_en(entry: ComputedEntry) -> float:
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"""Get the interpolated energy of an entry."""
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e_dict = {}
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for e in atomic_entries:
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- if len(e.composition.elements) != 1:
+ if len(e.composition.elements) != 1: # pragma: no cover
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msg = "Only single-element entries should be provided."
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raise ValueError(
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msg,
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- ) # pragma: no cover
+ )
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e_dict[e.composition.elements[0]] = e.energy_per_atom
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return sum(
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