Révision 13 ase/calculators/turbomole.py

turbomole.py (revision 13)
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"""This module defines an ASE interface to Turbomole
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http://www.turbomole.com/
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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 os, sys, string


  		





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from ase.units import Hartree, Bohr


  		












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