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tsmathis committed Jul 22, 2024
1 parent 3b54fed commit a6ec3f5
Showing 1 changed file with 5 additions and 3 deletions.
8 changes: 5 additions & 3 deletions emmet-core/emmet/core/thermo.py
Original file line number Diff line number Diff line change
Expand Up @@ -201,9 +201,11 @@ def _energy_eval(entry: Union[ComputedStructureEntry, ComputedEntry]):

# Store different info if stable vs decomposes
if d["is_stable"]:
d["equilibrium_reaction_energy_per_atom"] = (
pd.get_equilibrium_reaction_energy(blessed_entry) # type: ignore[arg-type]
)
d[
"equilibrium_reaction_energy_per_atom"
] = pd.get_equilibrium_reaction_energy(
blessed_entry
) # type: ignore[arg-type]
else:
d["decomposes_to"] = [
{
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