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ensure Reference.compute returns list
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instead of tuple
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svandenhaute committed Nov 25, 2024
1 parent 72d95e5 commit 0f6ab9c
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion psiflow/reference/reference.py
Original file line number Diff line number Diff line change
Expand Up @@ -101,7 +101,7 @@ def compute(self, dataset: Dataset, *outputs: Optional[Union[str, tuple]]):
if len(outputs_) == 1:
return to_return[0]
else:
return tuple(to_return)
return to_return

def compute_atomic_energy(self, element, box_size=None):
energies = []
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