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ReactionMechanismGenerator
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Database test
- #36
#36
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connie
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ReactionMechanismGenerator:master
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May 20, 2014
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Database test
#36
connie
merged 15 commits into
ReactionMechanismGenerator:master
ReactionMechanismGenerator/RMG-database:master
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nyee:databaseTest
nyee/RMG-database:databaseTest
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Commits on May 12, 2014
Minor fixes to intra_H_migration family
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Fix bug with Leave one out test
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Minor corrections to in 1,2 Insertion family
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Added suggested solutions to name errors in checkWellFormed
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Fixes to R_Addition_MultipleBond family
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Fixes to EvaluateKinetics.py database testing script.
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More fixes to R_Addition Multiple Bond
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Removed biradical singlets from R_MultipleBond Addition
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Fixes to rule adj lists in Intra_R_Add_Endocyclic
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Fixes to group definitions in Intra_R_Add_Endocylic
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Fixes to Disproportionation family
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Fixes to adjLists of 1,3_Insertion_RSR
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Fixes to R_Addition_CSm using checkWellFormed
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Fix errors in 1,2_Insertion found with databaseTester
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Fixes to H-Abstraction family: Part 1
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