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Added a catalytic combustion example #71
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Should take around 3 minutes to run
rwest
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In order to test the linear scaling relationships, we could use binding energies other than platinum.
It might run faster with generate output html off
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Sounds good. Do you propose binding energies for a specific metal? Otherwise I can look up binding energies on for example Pd(111) and put those instead. |
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Thanks! I agree that you can probably turn generate output html off. Could you also add the test to travis.yml so it gets run? It can probably go in the same section as the minimal example: https://github.com/ReactionMechanismGenerator/RMG-tests/blob/master/.travis.yml#L33 Once this is ready, we can make a dummy RMG-Py branch to make travis run the new test. |
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Seems like this might be more complicated than expected. The test failed because there isn't a chem_annotated.inp file: https://travis-ci.org/ReactionMechanismGenerator/RMG-tests/jobs/544305349 So we'll have to update RMG-tests to account for that. What are the output files that we should compare for catalyst jobs? |
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I'm making a new PRto avoid the difficulties of switching the commits over from master to main. |
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closing this, since it's been moved here: ReactionMechanismGenerator/RMG-Py#2514 |
Should take around 3 minutes to run.