root / ase / calculators / __init__.py @ 10
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"""Interfaces to different ASE compatible force-calculators."""
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import numpy as np |
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from ase import _deprecate_things_from_ase_module |
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from ase.calculators.lj import LennardJones |
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from ase.calculators.emt import EMT |
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from ase.calculators.siesta import Siesta |
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from ase.calculators.dacapo import Dacapo |
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from ase.calculators.vasp import Vasp |
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from ase.calculators.aims import Aims, AimsCube |
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from ase.calculators.turbomole import Turbomole |
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from ase.calculators.exciting import Exciting |
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from ase.calculators.dftb import Dftb |
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from ase.calculators.singlepoint import SinglePointCalculator |
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from ase.calculators.test import numeric_force, numeric_forces, TestPotential |
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from ase.calculators.qmx import Qmx |
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from ase.calculators.mopac import Mopac |
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if _deprecate_things_from_ase_module:
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from ase.utils.deprecate import Deprecate |
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_locals = locals()
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for name in ['LennardJones', 'EMT', 'Siesta', 'Dacapo', 'Vasp', |
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'Aims', 'AimsCube', 'Turbomole', 'Exciting', 'Dftb', 'Qmx', |
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'SinglePointCalculator', 'numeric_force', 'numeric_forces', |
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'TestPotential']:
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obj = _locals[name] |
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_locals[name] = Deprecate(obj, name, obj.__module__, 'ase.calculators')
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