glotzerlab / hoomd-blue

Molecular dynamics and Monte Carlo soft matter simulation on GPUs.
http://glotzerlab.engin.umich.edu/hoomd-blue
BSD 3-Clause "New" or "Revised" License
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Mesh helfrich energy #1793

Open SchoeniPhlippsn opened 1 month ago

SchoeniPhlippsn commented 1 month ago

Description

This adds a Helfrich potential which can be applied to the mesh data structure.

Motivation and context

This bending rigidity formulated by Helfrich allows for applying a bending modulus that closely behaves like a lipid mono-/bi-layer membrane represented by a particle mesh.

How has this been tested?

I added pytests and used this potential in my current studies.

Change log

Addition of a Helfrich mesh bending rigidity potential 

Checklist:

SchoeniPhlippsn commented 1 month ago

This is the second bending rigidity. I decided to split them into two PRs because this potential is still very slow when used in parallel on GPU.

github-actions[bot] commented 3 weeks ago

This pull request has been automatically marked as stale because it has not had recent activity. It will be closed if no further activity occurs.

github-actions[bot] commented 3 days ago

This pull request has been automatically marked as stale because it has not had recent activity. It will be closed if no further activity occurs.