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Changes to SubstitutionS groups
Added S to Y_1centerbirad group Made SJ group more general Removed duplicate Y_1centerbirad group in tree
1 parent faf6595 commit 82e2144

1 file changed

Lines changed: 2 additions & 6 deletions

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  • input/kinetics/families/SubstitutionS

input/kinetics/families/SubstitutionS/groups.py

Lines changed: 2 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -4781,7 +4781,7 @@
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label = "Y_1centerbirad",
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group =
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"""
4784-
1 *3 [Cs,Cd,O] u2
4784+
1 *3 [Cs,Cd,O,S] u2
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""",
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kinetics = None,
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)
@@ -4912,8 +4912,7 @@
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label = "SJ",
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group =
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"""
4915-
1 *3 S u1 {2,S}
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2 R u0 {1,S}
4915+
1 *3 S u1
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""",
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kinetics = None,
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)
@@ -5380,9 +5379,6 @@
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L4: O_rad/NonDeC
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L4: O_rad/NonDeO
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L4: O_rad/OneDe
5383-
L2: Y_1centerbirad
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L3: O_atom_triplet
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L3: CH2_triplet
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L2: SJ
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L3: SsJ
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L4: SsJ-H

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