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Merge pull request #2729 to Fix library reaction barrier heights for linear scaling.
If you include a library for a surface mechanism that uses linear scaling, this can cause some reaction barriers to be below the endothermicity of the reaction. This PR fixes the barrier heights for library reactions that have been scaled across metals
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rmgpy/rmg/model.py

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@@ -548,6 +548,10 @@ def make_new_reaction(self, forward, check_existing=True, generate_thermo=True,
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# correct barrier heights of estimated kinetics
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if isinstance(forward, (TemplateReaction, DepositoryReaction)): # i.e. not LibraryReaction
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forward.fix_barrier_height() # also converts ArrheniusEP to Arrhenius.
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elif isinstance(forward, LibraryReaction) and forward.is_surface_reaction():
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# do fix the library reaction barrier if this is scaled from another metal
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if any(['Binding energy corrected by LSR' in x.thermo.comment for x in forward.reactants + forward.products]):
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forward.fix_barrier_height()
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if self.pressure_dependence and forward.is_unimolecular():
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# If this is going to be run through pressure dependence code,

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