Révision 20 ase/calculators/gaussian.py

gaussian.py (revision 20)
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        self.str_params['functional'] = "B3LYP"
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        self.str_params['basis'] = '6-31G*'
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        self.str_params['flags'] = ' Force '
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        self.str_params['memory'] = '256MB'
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        self.str_params['memory'] = '60MW'
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        self.str_params['disk'] = '16GB'
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        self.str_params['command'] = 'g09'

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