root / ase / calculators / __init__.py @ 19
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| 1 | 1 | tkerber | """Interfaces to different ASE compatible force-calculators."""
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| 2 | 1 | tkerber | |
| 3 | 1 | tkerber | import numpy as np |
| 4 | 1 | tkerber | |
| 5 | 1 | tkerber | from ase import _deprecate_things_from_ase_module |
| 6 | 1 | tkerber | from ase.calculators.lj import LennardJones |
| 7 | 1 | tkerber | from ase.calculators.emt import EMT |
| 8 | 1 | tkerber | from ase.calculators.siesta import Siesta |
| 9 | 1 | tkerber | from ase.calculators.dacapo import Dacapo |
| 10 | 1 | tkerber | from ase.calculators.vasp import Vasp |
| 11 | 1 | tkerber | from ase.calculators.aims import Aims, AimsCube |
| 12 | 1 | tkerber | from ase.calculators.turbomole import Turbomole |
| 13 | 1 | tkerber | from ase.calculators.exciting import Exciting |
| 14 | 1 | tkerber | from ase.calculators.dftb import Dftb |
| 15 | 1 | tkerber | from ase.calculators.singlepoint import SinglePointCalculator |
| 16 | 1 | tkerber | from ase.calculators.test import numeric_force, numeric_forces, TestPotential |
| 17 | 2 | tkerber | from ase.calculators.qmx import Qmx |
| 18 | 10 | tkerber | from ase.calculators.mopac import Mopac |
| 19 | 16 | tkerber | from ase.calculators.gaussian import Gaussian |
| 20 | 1 | tkerber | |
| 21 | 1 | tkerber | if _deprecate_things_from_ase_module:
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| 22 | 1 | tkerber | from ase.utils.deprecate import Deprecate |
| 23 | 1 | tkerber | _locals = locals()
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| 24 | 1 | tkerber | for name in ['LennardJones', 'EMT', 'Siesta', 'Dacapo', 'Vasp', |
| 25 | 16 | tkerber | 'Aims', 'AimsCube', 'Turbomole', 'Exciting', 'Dftb', 'Qmx', 'Gaussian', |
| 26 | 1 | tkerber | 'SinglePointCalculator', 'numeric_force', 'numeric_forces', |
| 27 | 1 | tkerber | 'TestPotential']:
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| 28 | 1 | tkerber | obj = _locals[name] |
| 29 | 1 | tkerber | _locals[name] = Deprecate(obj, name, obj.__module__, 'ase.calculators') |