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clarify fractional bondorder method support#43

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mikemhenry wants to merge 1 commit intoopenforcefield:mainfrom
mikemhenry:clarify_fractional_bondorder_method_support
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clarify fractional bondorder method support#43
mikemhenry wants to merge 1 commit intoopenforcefield:mainfrom
mikemhenry:clarify_fractional_bondorder_method_support

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@mikemhenry
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See #41 (comment) for some details.

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@mattwthompson mattwthompson left a comment

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I'm in favor of this change as it makes it clear what is and is not supported.

I don't think the scope is large enough to necessitate an EP review, but I do think the change is not strictly negligible and I'm not going to approve + merge it alone. I'd like input from @j-wags (or possibly @lilyminium) if implementing this would impact any fitting efforts. It's possible I'm unaware of experiments using other methods - since, well, I'm not one of the people doing them. The current implementation defines a default but does not seem to forbid other values from being passed through.

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2 participants