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Check out this pull request on  ReviewNB

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Binder 👈 Launch a binder notebook on branch OpenFreeEnergy/ExampleNotebooks/fix_showcase

@hannahbaumann hannahbaumann linked an issue Apr 19, 2024 that may be closed by this pull request
@hannahbaumann
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This PR just fixes the notebook to work with openfe 1.0 (settings, mapping), otherwise this is still the same old notebook. This is to be replaced by the new notebook soon.

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The two notebooks that are failing here have been fixed in PR #99

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If I understand this PR correctly @richardjgowers @hannahbaumann the point is to just get the notebook we are using for http://try.openfree.energy/ to work with openfe 1.0

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image
looks like it can grab a GPU!

Have to make a few changes still, will ping for reviews when ready

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@richardjgowers This is ready to merge!

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Also thanks Hannah for fixing the API changes!

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we had 2 notebooks still failing on CI as @hannahbaumann noted, I pulled in changes from #99 by hand to fix those two notebooks, assuming CI passes (at least on linux), I will get this merged in!

@mikemhenry mikemhenry merged commit de3a081 into main Apr 22, 2024
@mikemhenry mikemhenry deleted the fix_showcase branch April 22, 2024 16:58
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Update showcase to use 1.0 release (not development version)

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