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Add contraction-expansion geometry for MPCD #1775

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tzortziskoul opened this issue May 6, 2024 · 1 comment
Open

Add contraction-expansion geometry for MPCD #1775

tzortziskoul opened this issue May 6, 2024 · 1 comment
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enhancement New feature or request mpcd MPCD component

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@tzortziskoul
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tzortziskoul commented May 6, 2024

Description

We want to implement a new channel for mpcd streaming geometry in hoomd v4. It will be a constriction-expansion channel described by two cosines.

Proposed solution

The new geometry will be implemented as follows:

channel = hoomd.mpcd.geometry.CosineExpansionContraction(...)
hoomd.mpcd.stream.BounceBack(period=..., geometry=channel)

Additional context

We already have a plugin that implements some of the necessary infrastructure for hoomd v2, which we will port to hoomd v4. A similar issue will be opened for the symmetric wavy channel.

@tzortziskoul tzortziskoul added the enhancement New feature or request label May 6, 2024
@mphoward mphoward added the mpcd MPCD component label May 6, 2024
@mphoward
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mphoward commented May 6, 2024

I have discussed this with @tzortziskoul and @astatt, and we will support them in implementing this feature.

@mphoward mphoward changed the title Add contraction-expansion channel for hoomd v4 Add contraction-expansion geometry for MPCD May 6, 2024
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Labels
enhancement New feature or request mpcd MPCD component
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