Remaining RMG-Cat issues identified at hackathon

[mliu49]

I'm placing all of the unresolved issues which were identified during the hackathon here for now. Items can be moved to separate issues if the need arises.

• Filter reactions for SurfaceReactor not implemented
• Pressure not integrated for in SurfaceReactor
• Jacobian/sensitivity analysis not implemented in SurfaceReactor
• Unit tests needed for SurfaceRateCoefficient in rmgpy/quantity.py
• Hard coding in family.py checks for 'adsorption' in family name
• Update images for kinetics families
• Creation of gas phase molecule from surface molecule in thermo.py could (should?) be made a molecule method, with appropriate unit tests

Topics with existing issues:

• Missing sigma terms for bidentate species - Missing sigma terms for bidentate adsorpition rates? cfgoldsmith/RMG-Py#4
• X in vdW typed as Xv - X in vdW complex gets typed as Xv (vacant) not Xo (occupied) cfgoldsmith/RMG-Py#58
• Checking collision limit causes issues - ValueError: No pressure specified to pressure-dependent PDepArrhenius.getRateCoefficient() cfgoldsmith/RMG-Py#61
• Ranged reactors don't work - Surface reactor type doesn't do range reactors fully cfgoldsmith/RMG-Py#73
• DeltaAtomicAdsorptionEnergies hard to set - DeltaAtomicAdsorptionEnergies are only set in RMG.loadDatabase cfgoldsmith/RMG-Py#76

[github-actions]

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