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Thanks for catching this, @mliu49 ! RMG-database/input/thermo/libraries/JetSurF2.0.py Line 2922 in 27de599 |
Old adjlist was for an invalid resonance structure
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Done! Thanks for pointing those out! |
JacksonBurns
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Mar 23, 2026
Fix issues with the documentation updating
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Old adjlist was for an invalid resonance structure.
I discovered this randomly while testing RMG-website because it was actually causing unexpected issues. For example, searching for benzene + H gives the odd resonance structure as the third result because the first reaction match is from JetSurf.