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Add dihedral MCMove class#479

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zhang-ivy wants to merge 10 commits into
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dihedral-move
Open

Add dihedral MCMove class#479
zhang-ivy wants to merge 10 commits into
mainfrom
dihedral-move

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@zhang-ivy

@zhang-ivy zhang-ivy commented Aug 27, 2020

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Description

Subclass the MetropolizedMove to enable rigid rotations for a given dihedral.

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  • Ready to go

@zhang-ivy zhang-ivy requested a review from dominicrufa August 27, 2020 16:33
@zhang-ivy

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@dominicrufa any comments before I write some tests?

@dominicrufa dominicrufa left a comment

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looks good so far. proceed with tests.

@zhang-ivy

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@dominicrufa can you review again?

@jchodera

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We'll update and merge this PR shortly.

@jchodera jchodera changed the title add dihedral move class Add dihedral MCMove class Mar 17, 2022
@egreenberg7 egreenberg7 mentioned this pull request Jan 14, 2026
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5 participants