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[pre-commit.ci] auto fixes from pre-commit.com hooks
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pre-commit-ci[bot] committed Aug 3, 2024
1 parent 2f5332d commit b4f5043
Showing 1 changed file with 3 additions and 2 deletions.
5 changes: 3 additions & 2 deletions atomistics/calculators/ase.py
Original file line number Diff line number Diff line change
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import numpy as np
from ase import units
from ase.atoms import Atoms
from ase.calculators.calculator import Calculator as ASECalculator, PropertyNotImplementedError
from ase.calculators.calculator import Calculator as ASECalculator
from ase.calculators.calculator import PropertyNotImplementedError
from ase.constraints import UnitCellFilter
from ase.md.langevin import Langevin
from ase.md.velocitydistribution import MaxwellBoltzmannDistribution
from ase.optimize.optimize import Optimizer

from atomistics.calculators.interface import get_quantities_from_tasks, TaskName
from atomistics.calculators.interface import TaskName, get_quantities_from_tasks
from atomistics.calculators.wrapper import as_task_dict_evaluator
from atomistics.shared.output import (
OutputMolecularDynamics,
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