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Mesh volume conservation #1794

Merged
merged 73 commits into from
Oct 21, 2024
Merged

Mesh volume conservation #1794

merged 73 commits into from
Oct 21, 2024

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SchoeniPhlippsn
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Description

This adds a global volume constraint potential which can be applied to the mesh data structure.

Motivation and context

This volume constraint allows applying a global target volume per mesh type to closed membranes 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 volume constraint mesh potential

Checklist:

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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 github-actions bot added the stale There has been no activity on this for some time. label Sep 25, 2024
@joaander joaander removed the stale There has been no activity on this for some time. label Sep 26, 2024
@SchoeniPhlippsn
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pre-commit.ci autofix

@SchoeniPhlippsn
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pre-commit.ci autofix

@SchoeniPhlippsn
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@joaander @Charlottez112
Ready for review!

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@joaander joaander left a comment

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Thanks! I have a some suggestions for improvement. You will also need to merge trunk-minor with this branch.

hoomd/md/VolumeConservationMeshForceCompute.cc Outdated Show resolved Hide resolved
hoomd/md/mesh/conservation.py Show resolved Hide resolved
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pre-commit.ci autofix

@SchoeniPhlippsn
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pre-commit.ci autofix

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Thanks!

@joaander joaander merged commit 3d46eb3 into trunk-minor Oct 21, 2024
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@joaander joaander deleted the mesh_volume_conservation branch October 21, 2024 12:33
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3 participants