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feat: save phonon predictions to CSV file
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lambench/tasks/calculator/phonon/phonon.py

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@@ -144,6 +144,7 @@ def run_phonon_simulation(
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if result is not None:
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dataframe_rows.append(result)
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preds = pd.DataFrame(dataframe_rows)
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preds.to_csv(workdir / "phonon-preds.csv", index=False)
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# Post-processing
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results = {}

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