Révision 10 ase/calculators/turbomole.py

turbomole.py (revision 10)
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        # if update of forces is neccessary
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        if self.update_forces:
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            # calculate forces
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            self.execute(self.calculate_forces + " > ASE.TM.forces.out")
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            if self.calculate_forces is not None:
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                self.execute(self.calculate_forces + " > ASE.TM.forces.out")
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            # read forces
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            self.read_forces()
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        else :

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