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LB coupling should use per particle gamma #3734

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fweik opened this issue May 26, 2020 · 2 comments · Fixed by #4743
Closed

LB coupling should use per particle gamma #3734

fweik opened this issue May 26, 2020 · 2 comments · Fixed by #4743
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ApiChange CodingDay Core Improvement waLBerla Issues regarding waLBerla integration

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@fweik
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fweik commented May 26, 2020

Currently the behavior of the LB and the Langevin thermostat differ in that the latter does use per partticle gamma's and particle anisotropy, while the former only support a global, scalar friction coefficient. This shouldn't be hard to change, and would allow for anisotropic point particles with dispersity. (In principle this is also true for the per particle temperature, but this is even more of a foot gun than for Langevin, so not a big fan...)

@RudolfWeeber
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This should be done in the Walberla branch.

@jngrad jngrad added the waLBerla Issues regarding waLBerla integration label Jan 31, 2022
@RudolfWeeber
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Moderate difficulty.

  • check the lagnevin thermostat code to find out, hwo the gamma is chosen (either the system-wide default, or the one set per particle)
  • Intoduce the same logic in src/grid_based_algorithms/lb_particle_coupling.cpp
  • I.e, instead of the plane lattice-Boltzmann thermostat gamma should be used if no value is given on the particle, but otherwise the one from the particle.
  • Note that the same coordinate transformation as for the Langevin thermostat is needed, when the particle specific friction coefficient is anisotropic.

@kodiakhq kodiakhq bot closed this as completed in #4743 Jun 13, 2023
kodiakhq bot added a commit that referenced this issue Jun 13, 2023
Fixes #3734 

Description of changes:
- use particle-specific gamma in LB
- check that particle gamma is not anisotropic (not supported by LB)
-  update test with more 'physical' paameters
@github-project-automation github-project-automation bot moved this from Todo to Done in Propagation refactoring Jun 13, 2023
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Labels
ApiChange CodingDay Core Improvement waLBerla Issues regarding waLBerla integration
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3 participants