"ValueError: No pressure specified" when checking collision limits with surfaceReactor #1635
Labels
abandoned
abandoned issue/PR as determined by actions bot
Complexity: Low
stale
stale issue/PR as determined by actions bot
Topic: Catalysis
Type: Bug
Bug Description
At the end of running a job with surface chemistry, RMG crashed when doing the collision limit checks:
This is mentioned in #1590 and cfgoldsmith#61 but here are more details and hopefully some clues on how to fix it.
How To Reproduce
Features of the input file that I think are relevant:
Expected Behavior
It wouldn't crash
What I think is the problem
My guess is that although RMG was told to generate new reactions without pressure dependence module, a pressure dependent
PDepArrhenius
reaction is coming in via one of the gas phase reaction libraries (as it should), but because the reactor model is asurfaceReactor
not asimpleReactor
, it doesn't have an attributeP
but instead hasinitialP
:So that one or both of these lines don't know what pressures to use:
Installation Information
Describe your installation method and system information.
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