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Showcase notebook incorrectly says we can set box dimensions via the ChemicalSystem #181

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IAlibay opened this issue Dec 4, 2024 · 1 comment · Fixed by #182
Closed

Showcase notebook incorrectly says we can set box dimensions via the ChemicalSystem #181

IAlibay opened this issue Dec 4, 2024 · 1 comment · Fixed by #182
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@atravitz
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@IAlibay
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IAlibay commented Dec 4, 2024

Follow up from OpenFreeEnergy/openfe#1032

Section 2.3 says that you can set the box vectors when creating a ChemicalSystem. As far as I'm aware, this is incorrect. We should remove this to avoid confusing users.
@IAlibay IAlibay added bug Something isn't working high-priority labels Dec 4, 2024
@jameseastwood
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Mike pre-approves the PR to resolve this, so please feel free to merge without review

@atravitz atravitz linked a pull request Dec 4, 2024 that will close this issue
removing box vectors from 2.3 #182
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@atravitz atravitz mentioned this issue Dec 4, 2024
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removing box vectors from 2.3 OpenFreeEnergy/ExampleNotebooks
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@jameseastwood @IAlibay @atravitz