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Fixed a comment and revert an unnecessary change.
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examples/thermoEstimator/run.sh

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#!/bin/bash
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# Run the thermo estimator on the given thermo input file
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python $RMGpy/thermoEstimator.py input.py
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python ../../thermoEstimator.py input.py

rmgpy/qm/molecule.py

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@@ -202,7 +202,7 @@ def createGeometry(self):
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def generateQMData(self):
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"""
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Calculate the QM data and return a QMData object, or None if it fails.
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Calculate the QM data somehow and return a CCLibData object, or None if it fails.
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"""
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logging.debug("{0} calculation".format(self.__class__.__name__))
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if self.verifyOutputFile():

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