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Removed the 'linear' keyword from most of Arkane's examples
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Left it in C2H6 for the example
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alongd committed May 17, 2019
1 parent eec913b commit a50d325
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Showing 11 changed files with 0 additions and 20 deletions.
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# encoding: utf-8

bonds = {}
linear = False

externalSymmetry = 1

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# encoding: utf-8

bonds = {}
linear = False

externalSymmetry = 1

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2 changes: 0 additions & 2 deletions examples/arkane/reactions/CH3OH+HCO/ch3oh.py
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'O-H': 1,
}

linear = False

externalSymmetry = 1

spinMultiplicity = 2
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2 changes: 0 additions & 2 deletions examples/arkane/reactions/CH3OH+HCO/hco.py
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'C-H': 1,
}

linear = False

externalSymmetry = 1

spinMultiplicity = 2
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2 changes: 0 additions & 2 deletions examples/arkane/reactions/CH3OH+HCO/ts.py
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bonds = {}

linear = False

externalSymmetry = 1

spinMultiplicity = 2
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2 changes: 0 additions & 2 deletions examples/arkane/species/Benzyl/benzyl.py
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'C-H': 7,
}

linear = False

externalSymmetry = 2

spinMultiplicity = 2
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2 changes: 0 additions & 2 deletions examples/arkane/species/C2H4/ethene.py
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'C-H': 4,
}

linear = False

externalSymmetry = 4

spinMultiplicity = 1
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2 changes: 0 additions & 2 deletions examples/arkane/species/C2H5/ethyl.py
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'C-H': 5,
}

linear = False

externalSymmetry = 1

spinMultiplicity = 2
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2 changes: 0 additions & 2 deletions examples/arkane/species/H/H.py
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bonds = {}

linear = False

externalSymmetry = 1

spinMultiplicity = 2
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'C=C': 3,
}

linear = False

externalSymmetry = 1

spinMultiplicity = 1
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'C=C': 3,
}

linear = False

externalSymmetry = 1

spinMultiplicity = 1
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