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MuPT Back-mapping Model [DRAFT]#259

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StephMcCallum wants to merge 19 commits into
cmelab:mainfrom
StephMcCallum:mupt-model
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MuPT Back-mapping Model [DRAFT]#259
StephMcCallum wants to merge 19 commits into
cmelab:mainfrom
StephMcCallum:mupt-model

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@StephMcCallum

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This PR adds a polymer and forcefield class to create an easier back-mapping model in MuPT. More information in MuPT issue 45.

The TriangleChain polymer class creates a triangular monomer, with a center and two anchor points. A linear chain is created by placing triangle bead in a random walk and then by bonding the neighboring centers and anchor points. There are harmonic bonds within the triangles and within monomers. Positions of the anchor points are given by the user.

The TriangleChain_DPDFF forcefield class applies the DPD forcefield to the 'center' atom of the triangle.

@StephMcCallum StephMcCallum self-assigned this May 7, 2026
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