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[pre-commit.ci] auto fixes from pre-commit.com hooks
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pre-commit-ci[bot] committed May 19, 2024
1 parent 2867039 commit dd2ae5f
Showing 1 changed file with 1 addition and 3 deletions.
4 changes: 1 addition & 3 deletions dpdata/plugins/ase.py
Original file line number Diff line number Diff line change
Expand Up @@ -79,8 +79,6 @@ def from_labeled_system(self, atoms: ase.Atoms, **kwargs) -> dict:
RuntimeError
ASE will raise RuntimeError if the atoms does not
have a calculator
Note that this method will try to load virials from the following sources:
- atoms.info['virial']
- atoms.info['virials']
Expand Down Expand Up @@ -173,7 +171,7 @@ def to_system(self, data, **kwargs):
return structures

def to_labeled_system(self, data, *args, **kwargs):
"""Convert System to ASE Atoms object. """
"""Convert System to ASE Atoms object."""
from ase import Atoms
from ase.calculators.singlepoint import SinglePointCalculator

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