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try again with ruff format
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3 files changed

+10
-9
lines changed

3 files changed

+10
-9
lines changed

src/atomate2/forcefields/jobs.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -16,8 +16,8 @@
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from atomate2.ase.jobs import AseRelaxMaker
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from atomate2.forcefields import MLFF, _get_formatted_ff_name
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from atomate2.forcefields.schemas import (
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ForceFieldMoleculeTaskDocument,
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ForceFieldStructureTaskDocument,
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ForceFieldMoleculeTaskDocument,
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ForceFieldStructureTaskDocument,
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ForceFieldTaskDocument,
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)
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from atomate2.forcefields.utils import ase_calculator, revert_default_dtype

src/atomate2/forcefields/md.py

Lines changed: 2 additions & 2 deletions
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@@ -16,8 +16,8 @@
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_FORCEFIELD_DATA_OBJECTS,
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)
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from atomate2.forcefields.schemas import (
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ForceFieldMoleculeTaskDocument,
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ForceFieldStructureTaskDocument,
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ForceFieldMoleculeTaskDocument,
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ForceFieldStructureTaskDocument,
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ForceFieldTaskDocument,
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)
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from atomate2.forcefields.utils import ase_calculator, revert_default_dtype

src/atomate2/forcefields/schemas.py

Lines changed: 6 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -11,10 +11,10 @@
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from pymatgen.core import Structure, Molecule
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from atomate2.ase.schemas import (
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AseMoleculeTaskDoc,
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AseObject,
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AseResult,
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AseStructureTaskDoc,
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AseMoleculeTaskDoc,
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AseObject,
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AseResult,
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AseStructureTaskDoc,
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AseTaskDoc,
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_task_doc_translation_keys,
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)
@@ -74,12 +74,12 @@ class ForceFieldStructureTaskDocument(AseStructureTaskDoc):
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),
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)
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@property
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def forcefield_objects(self) -> Optional[dict[AseObject, Any]]:
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"""Alias `objects` attr for backwards compatibility."""
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return self.objects
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class ForceFieldMoleculeTaskDocument(AseMoleculeTaskDoc):
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"""Document containing information on structure manipulation using a force field."""
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@@ -116,6 +116,7 @@ def forcefield_objects(self) -> Optional[dict[AseObject, Any]]:
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"""Alias `objects` attr for backwards compatibility."""
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return self.objects
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class ForceFieldTaskDocument(AseTaskDoc):
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"""Document containing information on structure manipulation using a force field."""
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