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

mamico-cfg: Fix support for different boundary conditions #81

Open
5 of 6 tasks
rubenhorn opened this issue Nov 25, 2024 · 0 comments · May be fixed by #84
Open
5 of 6 tasks

mamico-cfg: Fix support for different boundary conditions #81

rubenhorn opened this issue Nov 25, 2024 · 0 comments · May be fixed by #84
Assignees
Labels
bug Something isn't working

Comments

@rubenhorn
Copy link
Contributor

rubenhorn commented Nov 25, 2024

TODO:

  • Add new option for boundary condition XY-periodic [1]
  • Rename current checkpoint to CheckpointSimpleMD_10000_XY-periodic_0.checkpoint
  • Create new checkpoint CheckpointSimpleMD_10000_fully_periodic_0.checkpoint
  • Select checkpoint based on the boundary condition during couette.xml.template substitution
  • Apply boudary condition settings appropriately (Usher, massflux, Zhou force)
    For XY-periodic: Usher disabled, massflux only XY, Zhou only Z ie
    <boundary-force type="zhou-boundary-force" west="no" east="no" north="no" south="no" bottom="yes" top="yes" density="0.81" temperature="1.1" />
  • Better checkpoint formats #85

[1]: XY-periodic boundary condition:

bottom-south-west="reflecting"
bottom-south="reflecting"
bottom-south-east="reflecting"
bottom-west="reflecting"
bottom="reflecting"
bottom-east="reflecting"
bottom-north-west="reflecting"
bottom-north="reflecting"
bottom-north-east="reflecting"

south-west="periodic"
south="periodic"
south-east="periodic"
west="periodic"
east="periodic"
north-west="periodic"
north="periodic"
north-east="periodic"

top-south-west="reflecting"
top-south="reflecting"
top-south-east="reflecting"
top-west="reflecting"
top="reflecting" 
top-east="reflecting"
top-north-west="reflecting"
top-north="reflecting"
top-north-east="reflecting"
@rubenhorn rubenhorn added the bug Something isn't working label Nov 25, 2024
@rubenhorn rubenhorn self-assigned this Nov 25, 2024
@rubenhorn rubenhorn linked a pull request Nov 29, 2024 that will close this issue
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
bug Something isn't working
Projects
None yet
Development

Successfully merging a pull request may close this issue.

1 participant