root / ase / all.py @ 11
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"""This module imports many important modules at once."""
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from ase.atom import Atom |
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from ase.atoms import Atoms |
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from ase.units import * |
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from ase.io import read, write |
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from ase.io.trajectory import PickleTrajectory |
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from ase.dft import STM, monkhorst_pack, DOS |
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from ase.optimize.mdmin import MDMin |
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from ase.optimize.lbfgs import HessLBFGS |
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from ase.optimize.fire import FIRE |
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from ase.optimize.lbfgs import LBFGS, LBFGSLineSearch |
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from ase.optimize.bfgs import BFGS |
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from ase.optimize import QuasiNewton |
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from ase.md.verlet import VelocityVerlet |
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from ase.md.langevin import Langevin |
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from ase.constraints import * |
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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.dftb import Dftb |
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from ase.neb import NEB, SingleCalculatorNEB |
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from ase.visualize import view |
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from ase.data import chemical_symbols, atomic_numbers, atomic_names, \ |
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atomic_masses, covalent_radii, reference_states |
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from ase.data.molecules import molecule |
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from ase.structure import * |
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from math import pi, sqrt |
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import numpy as np |