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bug fix
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src/atomate2/common/jobs/transform.py

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@@ -29,6 +29,7 @@ class Transformer(Maker):
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"""
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transformation: AbstractTransformation
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name: str = "pymatgen transformation maker"
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@job
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def make(self, structure: Structure, **kwargs) -> TransformTask:
@@ -47,8 +48,11 @@ def make(self, structure: Structure, **kwargs) -> TransformTask:
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class SQS(Transformer):
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"""Generate special quasi-random structures (SQSs)."""
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name: str = "SQS"
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transformation: SQSTransformation = field(
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default_factory=SQSTransformation(
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scaling=1,
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search_time=60,
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directory=Path(".") / "sqs_runs",
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remove_duplicate_structures=True,

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