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Fix RMG PDep bug writing measure input file.
The commit e1f226c changed the method for writing a measure input file, but not the call to it from rmg/model.py
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rmgpy/rmg/model.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -488,8 +488,8 @@ def update(self, reactionModel, database):
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self.collisionModel = SingleExponentialDownModel(alpha0=4.86 * 4184)
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# Save input file
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rmgpy.measure.output.writeInput(os.path.join(settings.outputDirectory, 'pdep', 'network{0:d}_{1:d}.py'.format(self.index, len(self.isomers))),
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self, Tlist, Plist, (grainSize, numGrains), method, model)
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rmgpy.measure.output.writeFile(os.path.join(settings.outputDirectory, 'pdep', 'network{0:d}_{1:d}.py'.format(self.index, len(self.isomers))),
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self, Tlist, Plist, (grainSize, numGrains), method, model, Tmin, Tmax, Pmin, Pmax)
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self.printSummary(level=logging.INFO)
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