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Changed [CH] representation in combustion_core and ERC-FFv0.9
kinetic libraries to its ground state No specific representation for [CH] was found in these libraries sources, hence ground state (i.e., 1 lone pair) is assumed (the original AdjList represented the excited state)
1 parent 046c2f3 commit 50c2f90

4 files changed

Lines changed: 8 additions & 8 deletions

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input/kinetics/libraries/ERC-FoundationFuelv0.9/dictionary.txt

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -103,8 +103,8 @@ multiplicity 2
103103
4 H u0 p0 c0 {1,S}
104104

105105
CH
106-
multiplicity 4
107-
1 C u3 p0 c0 {2,S}
106+
multiplicity 2
107+
1 C u1 p1 c0 {2,S}
108108
2 H u0 p0 c0 {1,S}
109109

110110
CO

input/kinetics/libraries/combustion_core/version2/dictionary.txt

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -118,8 +118,8 @@ multiplicity 2
118118
6 H u0 p0 c0 {2,S}
119119

120120
CH
121-
multiplicity 4
122-
1 C u3 p0 c0 {2,S}
121+
multiplicity 2
122+
1 C u1 p1 c0 {2,S}
123123
2 H u0 p0 c0 {1,S}
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125125
CO

input/kinetics/libraries/combustion_core/version3/dictionary.txt

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -219,8 +219,8 @@ multiplicity 2
219219
13 H u0 p0 c0 {4,S}
220220

221221
CH
222-
multiplicity 4
223-
1 C u3 p0 c0 {2,S}
222+
multiplicity 2
223+
1 C u1 p1 c0 {2,S}
224224
2 H u0 p0 c0 {1,S}
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CO

input/kinetics/libraries/combustion_core/version4/dictionary.txt

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -134,8 +134,8 @@ multiplicity 2
134134
6 H u0 p0 c0 {2,S}
135135

136136
CH
137-
multiplicity 4
138-
1 C u3 p0 c0 {2,S}
137+
multiplicity 2
138+
1 C u1 p1 c0 {2,S}
139139
2 H u0 p0 c0 {1,S}
140140

141141
CO

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