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Runtime error
Runtime error
memory fix double variables, fix var name
Browse files
app.py
CHANGED
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@@ -30,6 +30,7 @@ dataset = load_dataset(
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# Convert the train split to a pandas DataFrame
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train_df = dataset.to_pandas()
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def create_phase_diagram(
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@@ -42,7 +43,7 @@ def create_phase_diagram(
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entries = [
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ComputedStructureEntry(
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Structure(
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[x.tolist() for x in
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row["species_at_sites"],
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row["cartesian_site_positions"],
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coords_are_cartesian=True,
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# Convert the train split to a pandas DataFrame
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train_df = dataset.to_pandas()
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del dataset
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def create_phase_diagram(
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entries = [
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ComputedStructureEntry(
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Structure(
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[x.tolist() for x in train_df.iloc[0]["lattice_vectors"].tolist()],
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row["species_at_sites"],
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row["cartesian_site_positions"],
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coords_are_cartesian=True,
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