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jan-janssen committed Aug 3, 2024
1 parent 66f58f8 commit 2f5332d
Showing 1 changed file with 0 additions and 12 deletions.
12 changes: 0 additions & 12 deletions atomistics/calculators/ase.py
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from __future__ import annotations

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from typing import List
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from typing import TYPE_CHECKING, Dict, List, Union
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import numpy as np
from ase import units
from ase.atoms import Atoms
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from ase.calculators.calculator import Calculator as ASECalculator, PropertyNotImplementedError
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from ase.calculators.calculator import Calculator, PropertyNotImplementedError
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from ase.constraints import UnitCellFilter
from ase.md.langevin import Langevin
from ase.md.velocitydistribution import MaxwellBoltzmannDistribution
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from ase.optimize.optimize import Optimizer
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from ase.units import units
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from atomistics.calculators.interface import get_quantities_from_tasks, TaskName
from atomistics.calculators.wrapper import as_task_dict_evaluator
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