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Merge pull request #335 from ReactionMechanismGenerator/cat_training
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Add empty training depositories to all cat families
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@mjohnson541
mjohnson541 committed Jun 7, 2019
2 parents 7266c2b + b68d486 commit e99e49c
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Showing 84 changed files with 277 additions and 206 deletions.
6 changes: 3 additions & 3 deletions input/kinetics/families/1+2_Cycloaddition/training/reactions.py
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# encoding: utf-8

name = "1+2_Cycloaddition/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
entry(
index = 1,
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5 changes: 3 additions & 2 deletions input/kinetics/families/1,2-Birad_to_alkene/training/reactions.py
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# encoding: utf-8

name = "1,2-Birad_to_alkene/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
entry(
index = 0,
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6 changes: 3 additions & 3 deletions input/kinetics/families/1,2_Insertion_CO/training/reactions.py
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# encoding: utf-8

name = "1,2_Insertion_CO/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
entry(
index = 1,
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6 changes: 3 additions & 3 deletions input/kinetics/families/1,2_Insertion_carbene/training/reactions.py
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# encoding: utf-8

name = "1,2_Insertion_carbene/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
entry(
index = 0,
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7 changes: 5 additions & 2 deletions input/kinetics/families/1,2_NH3_elimination/training/reactions.py
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# encoding: utf-8

name = "1,2_NH3_elimination/training"
shortDesc = u"Kinetics used to train group additivity values"

shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
entry(
index = 1,
label = "N4 <=> NH3 + NH2NHN_p",
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6 changes: 3 additions & 3 deletions input/kinetics/families/1,2_shiftC/training/reactions.py
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# encoding: utf-8

name = "1,2_shiftC/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
entry(
index = 0,
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6 changes: 3 additions & 3 deletions input/kinetics/families/1,2_shiftS/training/reactions.py
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# encoding: utf-8

name = "1,2_shiftS/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
6 changes: 3 additions & 3 deletions input/kinetics/families/1,3_Insertion_CO2/training/reactions.py
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# encoding: utf-8

name = "1,3_Insertion_CO2/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
entry(
index = 1,
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6 changes: 3 additions & 3 deletions input/kinetics/families/1,3_Insertion_ROR/training/reactions.py
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# encoding: utf-8

name = "1,3_Insertion_ROR/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
entry(
index = 1,
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6 changes: 3 additions & 3 deletions input/kinetics/families/1,3_Insertion_RSR/training/reactions.py
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# encoding: utf-8

name = "1,3_Insertion_RSR//training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
entry(
index = 1,
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7 changes: 5 additions & 2 deletions input/kinetics/families/1,3_NH3_elimination/training/reactions.py
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# encoding: utf-8

name = "1,2_NH3_elimination/training"
shortDesc = u"Kinetics used to train group additivity values"

shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
entry(
index = 1,
label = "NH2NNH_r <=> NH3 + N2",
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6 changes: 3 additions & 3 deletions input/kinetics/families/1,4_Cyclic_birad_scission/training/reactions.py
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# encoding: utf-8

name = "1,4_Cyclic_birad_scission/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
entry(
index = 0,
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6 changes: 3 additions & 3 deletions input/kinetics/families/1,4_Linear_birad_scission/training/reactions.py
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# encoding: utf-8

name = "1,4_Linear_birad_scission/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
6 changes: 3 additions & 3 deletions input/kinetics/families/2+2_cycloaddition_CCO/training/reactions.py
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# encoding: utf-8

name = "2+2_cycloaddition_CCO/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
6 changes: 3 additions & 3 deletions input/kinetics/families/2+2_cycloaddition_CO/training/reactions.py
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# encoding: utf-8

name = "2+2_cycloaddition_CO/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
entry(
index = 1,
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6 changes: 3 additions & 3 deletions input/kinetics/families/2+2_cycloaddition_CS/training/reactions.py
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# encoding: utf-8

name = "2+2_cycloaddition_CS/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
6 changes: 3 additions & 3 deletions input/kinetics/families/2+2_cycloaddition_Cd/training/reactions.py
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# encoding: utf-8

name = "2+2_cycloaddition_Cd/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
entry(
index = 1,
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6 changes: 3 additions & 3 deletions input/kinetics/families/6_membered_central_C-C_shift/training/reactions.py
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# encoding: utf-8

name = "6_membered_central_C-C_shift/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
entry(
index = 0,
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6 changes: 3 additions & 3 deletions input/kinetics/families/Baeyer-Villiger_step1_cat/training/reactions.py
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# encoding: utf-8

name = "Baeyer-Villiger_step1_cat/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""

entry(
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6 changes: 3 additions & 3 deletions input/kinetics/families/Baeyer-Villiger_step2/training/reactions.py
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# encoding: utf-8

name = "Baeyer-Villiger_step2/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""

entry(
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6 changes: 3 additions & 3 deletions input/kinetics/families/Baeyer-Villiger_step2_cat/training/reactions.py
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# encoding: utf-8

name = "Baeyer-Villiger_step2_cat/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""

entry(
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6 changes: 3 additions & 3 deletions input/kinetics/families/Bimolec_Hydroperoxide_Decomposition/training/reactions.py
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# encoding: utf-8

name = "Bimolec_Hydroperoxide_Decomposition/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""

entry(
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6 changes: 3 additions & 3 deletions input/kinetics/families/Birad_R_Recombination/training/reactions.py
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# encoding: utf-8

name = "Birad_R_Recombination/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
entry(
index = 0,
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6 changes: 3 additions & 3 deletions input/kinetics/families/Birad_recombination/training/reactions.py
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# encoding: utf-8

name = "Birad_recombination/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
entry(
index = 1,
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6 changes: 3 additions & 3 deletions input/kinetics/families/CO_Disproportionation/training/reactions.py
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# encoding: utf-8

name = "CO_Disproportionation/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
entry(
index = 0,
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6 changes: 3 additions & 3 deletions ...kinetics/families/Concerted_Intra_Diels_alder_monocyclic_1,2_shiftH/training/reactions.py
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# encoding: utf-8

name = "Concerted_Intra_Diels_alder_monocyclic_1,2_shiftH/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
entry(
index = 0,
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6 changes: 3 additions & 3 deletions input/kinetics/families/Cyclic_Ether_Formation/training/reactions.py
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# encoding: utf-8

name = "Cyclic_Ether_Formation/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
entry(
index = 0,
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6 changes: 3 additions & 3 deletions input/kinetics/families/Cyclic_Thioether_Formation/training/reactions.py
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# encoding: utf-8

name = "Cyclic_Ether_Formation/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
6 changes: 3 additions & 3 deletions input/kinetics/families/Cyclopentadiene_scission/training/reactions.py
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# encoding: utf-8

name = "Cyclopentadiene_scission/training"
shortDesc = u"Kinetics used to train group additivity values"
shortDesc = u"Reaction kinetics used to generate rate rules"
longDesc = u"""
Put kinetic parameters for reactions to use as a training set for fitting
group additivity values in this file.
Put kinetic parameters for specific reactions in this file to use as a
training set for generating rate rules to populate this kinetics family.
"""
entry(
index = 0,
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