RMG-database v2.4.0

• Heterogeneous catalysis!
  • RMG-cat fork has been merged #309
  • New kinetics families
    • Surface_Adsorption_Single
    • Surface_Adsorption_vdW
    • Surface_Adsorption_Dissociative
    • Surface_Dissociation
    • Surface_Abstraction
    • Surface_Adsorption_Double
    • Surface_Dissociation_vdW
    • Surface_Adsorption_Bidentate
    • Surface_Bidentate_Dissociation
    • Surface_Recombination (deprecated, use Surface_Dissociation instead)
  • New thermo group types
    • adsorptionNi
    • adsorptionPt
  • New thermo libraries
    • surfaceThermoNi
    • surfaceThermoPt
• New kinetics families
  • 1,2_NH3_elimination #326
  • 1,3_NH3_elimination #326
• New kinetics libraries
  • HydrazinePDep #326
• New transport libraries
  • OneDMinN2 #326
• Kinetics training reaction additions
  • 1,2_shiftC #306
  • Intra_R_Add_Endocyclic #306, #258
  • Intra_R_Add_Exocyclic #306, #258, #331
  • Intra_ene_reaction #306
  • R_Addition_COm #306
  • R_Addition_MultipleBond #306, #258
  • R_Recombination #306, #326
  • Intra_H_migration #306
  • H_Abstraction #326
• Kinetics library additions
  • primaryNitrogenLibrary #326
  • Lai_Hexylbenzene #258
• Thermo library additions
  • CBS_QB3_1dHR, thermo_DFT_CCSDTF12_BAC #319
  • primaryNS #326
  • Lai_Hexylbenzene #258
• Thermo group additions
  • ring, polycyclic, radical #258
• Changes
  • [adjlist] kinetics/libraries/Klippenstein_Glarborg2016 #308
  • [labels] thermo/libraries/CBS_QB3_1dHR, Narayanaswamy #306
  • [units] kinetics/libraries/Sulfur/GlarborgMarhsall, Nitrogen_Dean_and_Bozzelli, primaryNitrogenLibrary, primarySulfurLibrary #311
  • [units] R_Addition_MultipleBond/training, R_Recombination/training #312
  • [adjlist] kinetics/libraries/GRI-Mech3.0-N #313
  • [adjlist] thermo/libraries/GRI-Mech3.0-N, GRI-Mech3.0 #313
  • [rates] Disproportionation/training, R_Addition_MultipleBond/training #326
  • [labels] kinetics/libraries/NOx2018 #326
  • [labels, attributes] kinetics/libraries/Nitrogen_Dean_and_Bozelli #326
  • [labels] kinetics/librariesNitrogen_Glarbog_Gimenez_et_al, Nitrogen_Glarborg_Zhang_et_al #326
  • [labels, adjlist] thermo/libraries/BurcatNS #326
  • [labels] thermo/libraries/NOx2018, NitrogenCurran #326
  • [labels] transport/libraries/NOx2018 #326
  • [adjlist] Intra_R_Add_Endocyclic/training #332
  • [value] thermo/groups/ring/12dioxetane #327
  • [adjlist] thermo/libraries/GRI-Mech3.0 #336
  • [value] thermo/libraries/primaryThermoLibrary #338