Révision 16 prepareQMX/qmxSTR.py
qmxSTR.py (revision 16) | ||
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self.keywords['import']='ase.io.turbomole' |
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self.keywords['class']='read_turbomole' |
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self.keywords['class.options']='coord' |
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#------------------------------------------------------------------------------- |
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strDefinitions = [VASPStrDefinition(), TURBOMOLEStrDefintion()] |
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class CLUSTERStrDefintion(Definition): |
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def __init__(self): |
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self.name='CLUSTER' |
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self.keywords = {} |
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#------------------------------------------------------------------------------- |
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strSystemDefinitions = [VASPStrDefinition(), TURBOMOLEStrDefintion()] |
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strClusterDefinitions = [VASPStrDefinition(), TURBOMOLEStrDefintion(), CLUSTERStrDefintion()] |
Formats disponibles : Unified diff