Révision 16 prepareQMX/prepareQMX.py

prepareQMX.py (revision 16)
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#---------------------------------------------------------------------------------------------------
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from qmxEMBED import embedDefinitions
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from qmxJOB  import jobDefinitions
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from qmxSTR  import strDefinitions
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from qmxSTR  import strSystemDefinitions, strClusterDefinitions
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from qmxCALC import calcDefinitions, QmxCalcDefinition
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from qmxWRITE import writeData


  		





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        definitions.append(analyzeSection(calcDefinitions, section, lines_section))


  		





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    #structures (atoms)


  		





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    if section == "cluster" or section == "system":


  		





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        definitions.append(analyzeSection(strDefinitions, section, lines_section))


  		





  
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    if section == "cluster":


  		





  
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        definitions.append(analyzeSection(strClusterDefinitions, section, lines_section))


  		





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    #structures (atoms)


  		





  
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    if section == "system":


  		





  
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        definitions.append(analyzeSection(strSystemDefinitions, section, lines_section))


  		





  
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    #job


  		





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    if section == "job":


  		





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        definitions.append(analyzeSection(jobDefinitions, section, lines_section))


  		












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