Code

Adding halogens to default families#562

Code

Open

davidfarinajr wants to merge 29 commits intomainReactionMechanismGenerator/RMG-database:mainfrom halogen_kinetics_trainingReactionMechanismGenerator/RMG-database:halogen_kinetics_trainingCopy head branch name to clipboard

+462,746-66,919

Commits

Commits on Jan 18, 2022

• added halogen H_Abstraction tranining rxns

  davidfarinajr

  committed
  2f1f74f

• added halogen 1+2_Cycloaddition tranining rxns

  davidfarinajr

  committed
  d243628

• added halogens to 1+2_Cycladdition groups

  davidfarinajr

  committed
  f46084f

• added halogens to 1,2-Birad_to_alkene groups

  davidfarinajr

  committed
  de7f272

• added halogen 1,2_Insertion_carbene training reactions

  davidfarinajr

  committed
  fe754a6

• added 1,2_Insertion_carbene autotree groups and rules

  davidfarinajr

  committed
  bb3b667

• added halogen 1,2_Insertion_CO training reactions

  davidfarinajr

  committed
  b682578

• added 1,2_Insertion_COautotree groups and rules

  davidfarinajr

  committed
  45f67f2

• added halogen groups to 1,3_Insertion_ROR groups

  davidfarinajr

  committed
  4ca6fa6

• added halogens to Birad_R_Recombination groups

  davidfarinajr

  committed
  0c12da9

• added halogen CO_Disproportionation training reactions

  davidfarinajr

  committed
  21402b4

• added CO_Disproportionation autotree groups and rules

  davidfarinajr

  committed
  65cf9cf

• added halogens to Concerted_Intra_Diels_alder_monocyclic_1,2_shiftH groups

  davidfarinajr

  committed
  aa6f000

• added halogen Disproportionation training reactions

  davidfarinajr

  committed
  0509636

• added Disproportionation autotree groups and rules

  davidfarinajr

  committed
  2218080

• Added H_Abstraction autotree groups and rules

  davidfarinajr

  committed
  10304ef

• added halogens to Intra_ene_reaction groups

  davidfarinajr

  committed
  7575eaf

• added halogen intra_H_migration training reactions

  davidfarinajr

  committed
  6d1e870

• added halogen R_Addition_COm training reactions

  davidfarinajr

  committed
  c6ff1da

• added R_Addition_COm autotree groups and rules

  davidfarinajr

  committed
  000c9ad

• added halogen R_Addition_MultipleBond training reactions

  davidfarinajr

  committed
  6d454dc

• added halogen R_Recombination training reactions

  davidfarinajr

  committed
  6e9c6f4

• added R_Recombination autotree groups and rules

  davidfarinajr

  committed
  68eaf79

• added halogens to Intra_RH_Add_Endocyclic groups

  davidfarinajr

  committed
  7587a64

• added halogens to Intra_RH_Add_Exocyclic groups

  davidfarinajr

  committed
  6f7556f

• added R_Addition_MultipleBond autotree groups and rules

  davidfarinajr

  committed
  5d0892b

• added Singlet_Carbene_Intra_Disproportionation training reactions

  davidfarinajr

  committed
  40d3803

• added Singlet_Carbene_Intra_Disproportionation autotree groups and rules

  davidfarinajr

  committed
  489b505

• use halogens_kinetics branch for testing

  davidfarinajr

  committed
  ee92c13