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Introduce an event on_lees_edwards_change #4977

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merged 3 commits into from
Sep 11, 2024

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davidbbeyer
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@davidbbeyer davidbbeyer commented Aug 13, 2024

Fixes #4874

Description of changes:

  • introduced a new event function on_lees_edwards_change() to be triggered when the LE BC is changed
  • the order of instantiation of LB and LEbc no longer matters: collision kernel is automatically updated

@RudolfWeeber
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LGTM. Could you please check the codecov tst for the patch (which shows that coverage deceased slightly) and make sure, we don't have important code untested?
Thanks!

@davidbbeyer
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As far as I can tell, it is only complaining about the function LBWalberla::on_lees_edwards_change() which I added. However, this function is (indirectly) tested in the additional test in /testsuite/python/lb_lees_edwards.py , so I guess it should not be a problem.

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Thanks for taking care of this! I have selected a few lines were we potentially have edge cases that may need extra attention.

src/core/lb/LBWalberla.cpp Outdated Show resolved Hide resolved
src/core/lb/LBWalberla.cpp Outdated Show resolved Hide resolved
src/core/lb/LBWalberla.cpp Outdated Show resolved Hide resolved
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jngrad commented Aug 22, 2024

I noticed a lot of commits don't pass CI. Would you kindly update your virtual environment using our pep8 instructions?

@jngrad jngrad force-pushed the python branch 5 times, most recently from ed29e9a to 8434cb6 Compare September 11, 2024 09:25
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Thanks a lot!

@jngrad jngrad added this to the ESPResSo 4.3.0 milestone Sep 11, 2024
@jngrad jngrad added BugFix automerge Merge with kodiak waLBerla Issues regarding waLBerla integration labels Sep 11, 2024
@kodiakhq kodiakhq bot merged commit 38946bf into espressomd:python Sep 11, 2024
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Lees-Edwards update after LB construction
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