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DPD should work with rigid bodies #278

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joaander opened this issue Oct 16, 2017 · 9 comments
Open

DPD should work with rigid bodies #278

joaander opened this issue Oct 16, 2017 · 9 comments
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enhancement New feature or request essential Work that must be completed. eventually Things that might get done, eventually stale There has been no activity on this for some time.

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@joaander
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Original report by Jens Glaser (Bitbucket: jens_glaser, GitHub: jglaser).


From my recollection, the DPD force compute operates on all particles
and computes friction forces. The integrator only operates on the central particles.
Therefore computed temperature values are wrong.

The underlying reason is likely the constituent particles have no velocities. If these
were computed from the angular velocity, it should work.

A user reported this and the reproducer script is attached.

@joaander
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How would this work with MPI? It would be fairly trivial to implement velocity setting in updateCompositeParticles, but comments seem to indicate that this is run after the ghost update and that ghost constituent particles don't necessarily have their parent central particle ghost available.

@joaander
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joaander commented Oct 4, 2018

Rescheduling to v2.5. It is not clear how to implement this.

@joaander joaander added major bug Something isn't working and removed major labels Feb 12, 2019
@joaander joaander added this to the v2.6 milestone Feb 18, 2019
@joaander joaander removed the v2.5 label Feb 18, 2019
@joaander joaander added enhancement New feature or request and removed bug Something isn't working labels Feb 19, 2019
@bdice
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bdice commented Feb 19, 2019

This could be temporarily resolved via a documentation update that emphasizes that these two features do not currently interoperate.

@joaander joaander added the eventually Things that might get done, eventually label Mar 5, 2019
@joaander joaander removed this from the v2.6 milestone Mar 5, 2019
@github-actions
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This issue 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 Apr 11, 2022
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This issue has been automatically closed because it has not had recent activity.

@joaander
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After the changes in #1469, this should now be possible to implement.

@joaander joaander reopened this Jan 27, 2023
@joaander joaander added good first issue Good for newcomers and removed stale There has been no activity on this for some time. good first issue Good for newcomers labels Jan 27, 2023
@joaander
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Maybe not a good first issue, as this would require adding angular momentum to the ghost particle communication.

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This issue 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 Oct 14, 2023
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This issue has been automatically closed because it has not had recent activity.

@github-actions github-actions bot closed this as not planned Won't fix, can't repro, duplicate, stale Oct 24, 2023
@joaander joaander reopened this Feb 13, 2024
@joaander joaander added the essential Work that must be completed. label Feb 13, 2024
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