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reset some default
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src/atomate2/forcefields/schemas.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -31,7 +31,7 @@ class ForceFieldMeta(BaseModel):
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)
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forcefield_version: str | None = Field(
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None,
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"Unknown",
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description="version of the interatomic potential used for relaxation.",
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)
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@@ -88,7 +88,7 @@ class ForceFieldTaskDocument(AseStructureTaskDoc, ForceFieldMeta):
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"""Document containing information on atomistic manipulation using a force field."""
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@classmethod
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def from_ase_compatible_result( # type: ignore[override]
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def from_ase_compatible_result(
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cls,
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ase_calculator_name: str,
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result: AseResult,

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