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Commits on Jan 30, 2016

• Update sourceforge web pages

  connie

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  3bd92bc

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• Update README.rst to say RMG-Java is deprecated and link to RMG-Py

  connie

  committed
  adcd0f0

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Commits on Sep 29, 2015

• Add more forbidden groups to Diels_alder for preventing 1 double bond in aromatic from being part of diene

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  connie

  committed
  f2311d6

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• Add more forbidden groups to diels_alder family

  connie

  committed
  d31f843

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• Forbid double bond from benzene to break aromaticity in R_Addition_Multiple_Bond

  connie

  committed
  4ed56a7

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Commits on Sep 28, 2015

• Add benzene to forbidden groups as both diene and dienophile in Diels_alder_addition family

  connie

  committed
  0b1a2b2

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Commits on Sep 23, 2015

• Change rate of retroen reaction based on degeneracy

  connie

  committed
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Commits on Sep 20, 2015

• Add Retroen reaction family for alkylaromatic reactions reacting to toluene + alkene

  connie

  committed
  394abba

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Commits on May 20, 2015

• Caleb's sulfur libraries

  connie

  committed
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• Delete duplicate entries in Sulfur thermo library. Fix some adjlists.

  connie

  committed
  0b8852d

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• Make YJ groups more broad in intramolecular sulfur kinetics families

  connie

  committed
  90fad12

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• Make groups more broad for intra_substitutionCS families

  connie

  committed
  9daaba7

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• Update forbidden groups for intramolecular S kinetics families

  connie

  committed
  06e1913

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• Some fixes to thermo groups.

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  connie

  committed
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Commits on May 13, 2015

• Change intra_substitutionCS_isomerization to no longer its own reverse

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  connie

  committed
  2858c19

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• Fix commenting syntax in Sulfur/DMDS kinetics library so it reads correctly

  connie

  committed
  57d6fed

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Commits on Apr 22, 2015

• Caleb's modifications to thermo libraries

  connie

  committed
  0931eb4

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• Caleb's modifications to thermo groups

  connie

  committed
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• Caleb's modifications to kinetics libraries

  connie

  committed
  d4d6964

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• Caleb's modifications to Forbidden Structures

  connie

  committed
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• Caleb's modifications to kinetics groups

  connie

  committed
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Commits on Mar 18, 2015

• Fix line break between entries in 'MKSabbe' thermo library.

  connie

  committed
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Commits on Feb 27, 2015

• Change order of dependencies for DASPK compilation. The other version fails.

  connie

  committed
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Commits on Nov 13, 2014

• Bugfixes to H_Abstraction.

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  connie

  committed
  8c4a683

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• Fixes to some groups in R_Addition_Multiple_Bond.

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  connie

  committed
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Commits on Nov 12, 2014

• Fix indenyl group adjlist in thermo Radical dictionary

  connie

  committed
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Commits on Nov 6, 2014

• Fix forbidden groups in Intra_Disproportionation. Eliminating unecessary bonds.

  connie

  committed
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Commits on Oct 2, 2014

• Include species names when reading thermo data estimator species lists.

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  rwest

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Commits on Sep 16, 2014

• Few additional rate rules for intra H migrations. Mainly related to the currently discovered pathways to benzene from butadiene + allyl.

  

  agvandeputte

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Commits on Aug 18, 2014

• Correcting Alkene+OH addition arte coefficient

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Commits on Jul 14, 2014

• Rate rules for recombination reactions of H with CPDyl (and similar structures)

  

  agvandeputte

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  shamelmerchant

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  fbac9e3

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• New criterium for intra_R_Add_Endocyclic and intra_R_Add_exocyclic

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  agvandeputte

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Commits on Jul 7, 2014

• Adding the option to set max C atoms for a Pdep Network

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  shamelmerchant

  committed
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• Made small changes to the thermolibraries.

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  agvandeputte

  authored and

  shamelmerchant

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• Fixing missing thermo comments

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