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fixup! S2s
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alongd committed Jun 28, 2017
1 parent 2efe74c commit 5f350da
Showing 1 changed file with 9 additions and 9 deletions.
18 changes: 9 additions & 9 deletions input/thermo/groups/longDistanceInteraction_noncyclic.py
Original file line number Diff line number Diff line change
Expand Up @@ -52,7 +52,7 @@
label = "int14_gauche",
group =
"""
1 *1 [Cs,Os,Cd,Ss] u0 {2,S}
1 *1 [Cs,Os,Cd,S2s] u0 {2,S}
2 *2 Cs u0 {1,S}
""",
thermo = ThermoData(
Expand Down Expand Up @@ -811,7 +811,7 @@
label = "SsCs",
group =
"""
1 *1 Ss u0 {2,S}
1 *1 S2s u0 {2,S}
2 *2 Cs u0 {1,S}
""",
thermo = ThermoData(
Expand All @@ -828,10 +828,10 @@

entry(
index = 24,
label = "Ss(Cs(CsHH)H)",
label = "S2s(Cs(CsHH)H)",
group =
"""
1 *1 Ss u0 {2,S} {3,S}
1 *1 S2s u0 {2,S} {3,S}
2 *2 Cs u0 {1,S} {4,S} {5,S} {6,S}
3 H u0 {1,S}
4 H u0 {2,S}
Expand All @@ -856,7 +856,7 @@
group =
"""
1 *1 Cs u0 {2,S} {4,S} {5,S}
2 [Cs,Os,Ss] u0 {1,S} {3,S}
2 [Cs,Os,S2s] u0 {1,S} {3,S}
3 *2 Cs u0 {2,S} {6,S} {7,S} {8,S}
4 Cs u0 {1,S}
5 Cs u0 {1,S}
Expand Down Expand Up @@ -1044,7 +1044,7 @@
group =
"""
1 *1 Cs u0 {2,S} {4,S} {5,S}
2 Ss u0 {1,S} {3,S}
2 S2s u0 {1,S} {3,S}
3 *2 Cs u0 {2,S} {6,S} {7,S} {8,S}
4 Cs u0 {1,S}
5 Cs u0 {1,S}
Expand All @@ -1070,7 +1070,7 @@
group =
"""
1 *1 Cs u0 {2,S} {4,S} {5,S} {9,S}
2 Ss u0 {1,S} {3,S}
2 S2s u0 {1,S} {3,S}
3 *2 Cs u0 {2,S} {6,S} {7,S} {8,S}
4 Cs u0 {1,S}
5 Cs u0 {1,S}
Expand All @@ -1097,7 +1097,7 @@
group =
"""
1 *1 Cs u0 {2,S} {4,S} {5,S} {6,S}
2 Ss u0 {1,S} {3,S}
2 S2s u0 {1,S} {3,S}
3 *2 Cs u0 {2,S} {7,S} {8,S} {9,S}
4 Cs u0 {1,S}
5 Cs u0 {1,S}
Expand Down Expand Up @@ -1153,7 +1153,7 @@
L5: CdCs-ST
L5: CdCs-SQ
L3: SsCs
L4: Ss(Cs(CsHH)H)
L4: S2s(Cs(CsHH)H)
L2: int15
L3: CsCsCs
L4: CsCsCs-TQ
Expand Down

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