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espressomd / espresso

The ESPResSo package
https://espressomd.org
GNU General Public License v3.0
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Lees Edwards update after LB construciton #4874

Open RudolfWeeber opened 4 months ago

RudolfWeeber commented 4 months ago

LB ignores Lees Edwares boundary condition, if it is set up after LB. To reproduce, switch the initializaiton order from

  1. LE
  2. LB to the opposite in the Lb Lees Edwards tests.

As an aside, the code that constructs the LeesEdwards Pack pased to LbWalberla should probbably be somewhere in teh core rather than in the script interface.

jngrad commented 2 weeks ago

Offline discussion: the best way forward would be for the lattice-Boltzmann object to update its collision operator whenever the Lees-Edwards protocol changes using a hook.