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Merge pull request #67 from GreenGroup/sulfur
Updates to sulfur chemistry
2 parents 090c635 + ca793eb commit 45fb301

39 files changed

Lines changed: 5438 additions & 1283 deletions

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input/forbiddenStructures.py

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entry(
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label = "S3",
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"""
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1 S u0 {2,S}
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2 S u0 {1,S} {3,S}
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3 S u0 {2,S}
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shortDesc = u"""""",
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longDesc =
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u"""
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entry(
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label = "S3..",
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"""
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1 S u1 {2,S}
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2 S u0 {1,S} {3,S}
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""",
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shortDesc = u"""""",
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longDesc =
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u"""
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entry(
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label = "cyclic-C3O",
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group =

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