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update docstring
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yaoyi92 committed Feb 18, 2025
1 parent 5f4f57b commit b01ded5
Showing 1 changed file with 4 additions and 3 deletions.
7 changes: 4 additions & 3 deletions src/atomate2/forcefields/schemas.py
Original file line number Diff line number Diff line change
Expand Up @@ -169,7 +169,7 @@ def from_ase_compatible_result_forcefield(
tags: list[str] | None = None,
**task_document_kwargs,
) -> ForceFieldStructureTaskDocument | ForceFieldMoleculeTaskDocument:
"""Create an AseTaskDoc for a task that has ASE-compatible outputs.
"""Create an ForceField output for a task that has ASE-compatible outputs.
Parameters
----------
Expand Down Expand Up @@ -240,14 +240,15 @@ def from_ase_compatible_result_forcefield(
def from_ase_task_doc(
cls, ase_task_doc: AseTaskDoc, **task_document_kwargs
) -> ForceFieldStructureTaskDocument | ForceFieldMoleculeTaskDocument:
"""Create an AseStructureTaskDoc for a task that has ASE-compatible outputs.
"""Create an ForceField output for a task that has ASE-compatible outputs.
Parameters
----------
ase_task_doc : AseTaskDoc
Task doc for the calculation
task_document_kwargs : dict
Additional keyword args passed to :obj:`.AseStructureTaskDoc()`.
Additional keyword args passed to :obj:`.ForceFieldStructureTaskDocument()`
or `.ForceFieldMoleculeTaskDocument()`.
"""
task_document_kwargs.update(
{k: getattr(ase_task_doc, k) for k in _task_doc_translation_keys},
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