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Fix and test LB Lees Edwards particle coupling #4948

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merged 2 commits into from
Jul 8, 2024
Merged

Fix and test LB Lees Edwards particle coupling #4948

merged 2 commits into from
Jul 8, 2024

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RudolfWeeber
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@RudolfWeeber RudolfWeeber commented Jul 4, 2024 •
edited by jngrad
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  • When finding ghosts of a position for applying forces to LB, take Lees-Edwards offset into account
  • Correct interpolated fluid velocities for Lees-Edwards velocity shift when using an interpolation position across an LE boundary
  • Simplify and correct the shifting and interpolation of LB PDF ghost layers, when a Lees-Edwards offset is applied
  • Move application of forces from MD to the correct place for LB with pull scheme
  • More extensive testing of LB Lees-Edwards particle coupling

@RudolfWeeber RudolfWeeber requested a review from jngrad July 8, 2024 11:29
RudolfWeeber and others added 2 commits July 8, 2024 18:06
@RudolfWeeber @jngrad
Fix and test LB Lees-Edwards particle coupling
4284116
@jngrad
Refactor Lees-Edwards code
91bff8b 
Capture Lees-Edwards parameters by reference, remove mention of Python
in the core, improve code coverage.
jngrad
jngrad approved these changes Jul 8, 2024
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LGTM

@jngrad jngrad added Testcase Core automerge Merge with kodiak waLBerla Issues regarding waLBerla integration labels Jul 8, 2024
@kodiakhq kodiakhq bot merged commit fe94b6a into espressomd:python Jul 8, 2024
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