Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

DPD should work with rigid bodies #278

Open
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
Labels
enhancement New feature or request eventually Things that might get done, eventually

Comments

@joaander
Copy link
Member

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
Copy link
Member Author

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
Copy link
Member Author

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
Copy link
Member

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
Copy link

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
@github-actions
Copy link

This issue has been automatically closed because it has not had recent activity.

@joaander
Copy link
Member Author

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
Copy link
Member Author

Maybe not a good first issue, as this would require adding angular momentum to the ghost particle communication.

@github-actions
Copy link

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
@github-actions
Copy link

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
@joaander joaander removed the essential Work that must be completed. label Nov 6, 2024
@github-actions github-actions bot removed the stale There has been no activity on this for some time. label Nov 6, 2024
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
enhancement New feature or request eventually Things that might get done, eventually
Projects
None yet
Development

No branches or pull requests

2 participants