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zhaiwenxiclaude
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Fix formula auto_convert seed argument
Co-Authored-By: Claude <noreply@anthropic.com>
1 parent e445128 commit 53bbeec

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Lines changed: 2 additions & 1 deletion

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dpa_adapt/data/convert.py

Lines changed: 2 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -107,6 +107,7 @@ def auto_convert(
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mol_template: str = "id{row}.mol",
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split_seed: int | None = None,
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conformer_seed: int | None = None,
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seed: int = 42,
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poscar: str | None = None,
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formula_col: str = "formula",
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base_element: str | None = None,
@@ -184,7 +185,7 @@ def auto_convert(
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property_name=property_name,
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base_element=base_element,
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sets=sets,
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seed=42,
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seed=seed,
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)
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if verbose:
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print(f"Formula conversion: {len(out)} systems written.")

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