Révision 13 ase/embed.py

embed.py (revision 13)
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"""
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This module is the EMBED module for ASE
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implemented by T. Kerber
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Torsten Kerber, ENS LYON: 2011, 07, 11
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This work is supported by Award No. UK-C0017, made by King Abdullah
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University of Science and Technology (KAUST)
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"""
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import math
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from ase import Atom, Atoms
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from ase.data import covalent_radii, atomic_numbers

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