Issues

• C-C Beta scissions with biradicals lead to new biradicals instead of alkenes

  ReactionMechanismGenerator/RMG-Java#270 · Filter by author nickvandewiele opened on Aug 29, 2012
  8

• Restart fails with error message

  ReactionMechanismGenerator/RMG-Java#269 · Filter by author ramanan opened on Aug 29, 2012
  4

• Diels-Alder template can't match formation of dicyclopentadiene

  ReactionMechanismGenerator/RMG-Java#268 · Filter by author stroiano opened on Aug 17, 2012

• Feature request: Pressure dependence for small molecules only

  ReactionMechanismGenerator/RMG-Java#267 · Filter by author jwallen opened on Aug 8, 2012

• GUI out of date?

  ReactionMechanismGenerator/RMG-Java#265 · Filter by author rwest opened on Jul 18, 2012 · 4
  2

• Logging problem with multiple threads on avoidfork branch.

  ReactionMechanismGenerator/RMG-Java#263 · Filter by author faribas opened on Jul 6, 2012

• QMTP failed for no known reason

  ReactionMechanismGenerator/RMG-Java#262 · Filter by author faribas opened on Jul 6, 2012
  3

• Couldn't find the rate constant for reaction ......... with H_Abstraction

  ReactionMechanismGenerator/RMG-Java#261 · Filter by author faribas opened on Jun 21, 2012

• intra_H_migration hardcoded to force ROO -> QOOH as forward direction

  Database
  ReactionMechanismGenerator/RMG-Java#259 · Filter by author jwallen opened on Jun 14, 2012

• Broken link to InChI download in documentation

  ReactionMechanismGenerator/RMG-Java#258 · Filter by author faribas opened on Jun 11, 2012

• NaN in FAME output

  ReactionMechanismGenerator/RMG-Java#248 · Filter by author faribas opened on Apr 24, 2012
  3

• NullPointerException at jing.rxn.Reaction.getDirection(Reaction.java:924)

  ReactionMechanismGenerator/RMG-Java#246 · Filter by author rajeshdparmar opened on Feb 6, 2012
  3

• Unreadable line in Restart/pdepnetworks.txt due to variable no. of defined Pressures in seed or restart

  RestartSeeds and Libraries
  ReactionMechanismGenerator/RMG-Java#245 · Filter by author nickvandewiele opened on Jan 20, 2012
  2

• An opportunity for speedup of runs using QMTP

  ReactionMechanismGenerator/RMG-Java#244 · Filter by author gmagoon opened on Jan 13, 2012
  1

• mol2AdjList relies on unsupported field

  ReactionMechanismGenerator/RMG-Java#241 · Filter by author gmagoon opened on Jan 4, 2012

• Resonance forms for benzyne and benzyne like molecules not identified

  ReactionMechanismGenerator/RMG-Java#238 · Filter by author gmagoon opened on Dec 17, 2011

• Negative steady-state concentration error from fame

  ReactionMechanismGenerator/RMG-Java#237 · Filter by author gmagoon opened on Dec 12, 2011

• Equals sign in species labels breaks restart

  Restart
  ReactionMechanismGenerator/RMG-Java#228 · Filter by author jwallen opened on Nov 22, 2011
  3

• Aromaticity perception doesn't work for naphthalene

  ReactionMechanismGenerator/RMG-Java#223 · Filter by author gmagoon opened on Oct 27, 2011
  3

• R_Recombination family not constructing averaged rate rules

  ReactionMechanismGenerator/RMG-Java#218 · Filter by author jwallen opened on Oct 13, 2011
  4

• IndexOutOfBoundsException in P-Dep operation when "Including" species

  ReactionMechanismGenerator/RMG-Java#210 · Filter by author gmagoon opened on Sep 3, 2011
  4

• Families.txt should be in working dir rather than RMG folder

  ReactionMechanismGenerator/RMG-Java#208 · Filter by author nickvandewiele opened on Aug 23, 2011
  3

• ArrayIndexOutOfBoundsException in JDAS

  ReactionMechanismGenerator/RMG-Java#206 · Filter by author nickvandewiele opened on Aug 17, 2011
  21

• InvalidUnreactedReactionException with PDep turned off.

  ReactionMechanismGenerator/RMG-Java#204 · Filter by author nickvandewiele opened on Aug 17, 2011
  1

• Fame error messages lacking in detail

  ReactionMechanismGenerator/RMG-Java#202 · Filter by author rwest opened on Aug 12, 2011
  1