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WIP - Cathub kinetics#499

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davidfarinajr wants to merge 11 commits intomainReactionMechanismGenerator/RMG-database:mainfrom cathubReactionMechanismGenerator/RMG-database:cathubCopy head branch name to clipboard

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Commits on Oct 24, 2021

• use the surface_arrbm py branch for tests

  

  davidfarinajr

  authored and

  mazeau

  committed
  86bd818

• added cathub Pt kinetics library

  Show description for cefc7b0
  

  davidfarinajr

  authored and

  mazeau

  committed
  cefc7b0

• added kinetics libraries for a variety of metals from cathub

  

  davidfarinajr

  authored and

  mazeau

  committed
  cbdfad6

• re-estimation of A factors cathub kinetics libraries

  

  davidfarinajr

  authored and

  mazeau

  committed
  b0f5ab1

• added cathub training reactions

  

  davidfarinajr

  authored and

  mazeau

  committed
  f1249cb

• added cathub seed mechs

  Show description for 8446261
  

  davidfarinajr

  authored and

  mazeau

  committed
  8446261

• added Surface_Bidentate_Dissocation autotree and rules

  

  davidfarinajr

  authored and

  mazeau

  committed
  12b6e1c

• added Surface_Dissocation autotree and rules

  

  davidfarinajr

  authored and

  mazeau

  committed
  0c2f197

• added Surface_Dissocation_vdw autotree and rules

  

  davidfarinajr

  authored and

  mazeau

  committed
  035cda3

• MultiArr -> Arr for cathub reactions

  Show description for 7d91ee8
  

  davidfarinajr

  authored and

  mazeau

  committed
  7d91ee8

• removed metal and facet from surface thermo group entries

  Show description for 25d5b34
  

  davidfarinajr

  authored and

  mazeau

  committed
  25d5b34