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Re-jig BCCs to be more specific#131

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lilyminium wants to merge 9 commits intomainopenforcefield/openff-recharge:mainfrom redo-bccsopenforcefield/openff-recharge:redo-bccsCopy head branch name to clipboard

+9,873-11

Commits

Commits on Jun 30, 2023

• re-jig BCCs to be more specific

  

  lilyminium

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  Lily Wang

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  40cdadc

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• add preliminary conversion to offxml

  

  lilyminium

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  Lily Wang

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  350966f

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• add original BCC file

  

  lilyminium

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  Lily Wang

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  0e52f36

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• replace original_am1bcc_corrections

  

  lilyminium

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  Lily Wang

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  9292e4a

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• update with ff

  

  lilyminium

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  Lily Wang

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  3026580

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• add force field

  

  lilyminium

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  Lily Wang

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  0a70678

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• remove old convert script

  

  lilyminium

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  Lily Wang

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  ddf5f07

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• fix formatting

  

  Lily Wang

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  49853a6

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• newline smirks

  

  Lily Wang

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  f1c0957

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