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chore: import from 3rd party
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VsevolodX committed Sep 3, 2024
1 parent f1f4eaa commit db91642
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6 changes: 6 additions & 0 deletions src/py/mat3ra/made/tools/third_party.py
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from ase.build import add_vacuum as ase_add_vacuum
from ase.build.supercells import make_supercell as ase_make_supercell
from ase.calculators.calculator import Calculator as ASECalculator
from ase.calculators.calculator import all_changes as ase_all_changes
from ase.calculators.emt import EMT as ASECalculatorEMT
from ase.constraints import FixAtoms as ASEFixAtoms
from ase.constraints import FixedPlane as ASEFixedPlane
from pymatgen.analysis.defects.core import Interstitial as PymatgenInterstitial
from pymatgen.analysis.defects.core import Substitution as PymatgenSubstitution
from pymatgen.analysis.defects.core import Vacancy as PymatgenVacancy
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"ASEAtoms",
"ASECalculator",
"ASECalculatorEMT",
"ASEFixAtoms",
"ASEFixedPlane",
"ase_all_changes",
"PymatgenLattice",
"PymatgenStructure",
"PymatgenIStructure",
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