Révision 13 ase/calculators/qmx.py

qmx.py (revision 13)
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""" This is a QM:MM embedded system for ASE
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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.fr


  		





  
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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 ase


  		





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import ase.atoms


  		





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import numpy as np


  		












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