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external force density in first integration step #3144

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merged 12 commits into from
Sep 11, 2019

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KaiSzuttor
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@KaiSzuttor KaiSzuttor commented Sep 9, 2019

Fixes #2875

Description of changes:

  • initialize the force density member with the external force density set by the user
  • if node velocity is set from the interface, the force density on this node is reset

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codecov bot commented Sep 10, 2019

Codecov Report

Merging #3144 into python will increase coverage by <1%.
The diff coverage is 100%.

Impacted file tree graph

@@           Coverage Diff            @@
##           python   #3144     +/-   ##
========================================
+ Coverage      84%     84%    +<1%     
========================================
  Files         526     523      -3     
  Lines       26091   24881   -1210     
========================================
- Hits        22138   21142    -996     
+ Misses       3953    3739    -214
Impacted Files Coverage Δ
src/core/grid_based_algorithms/lbgpu.hpp 100% <ø> (ø) ⬆️
src/core/grid_based_algorithms/lb.hpp 100% <ø> (ø) ⬆️
src/core/grid_based_algorithms/lb_interface.cpp 72% <100%> (-4%) ⬇️
src/core/grid_based_algorithms/lb.cpp 96% <100%> (-1%) ⬇️
...ore/grid_based_algorithms/lb_particle_coupling.cpp 86% <0%> (-12%) ⬇️
src/core/specfunc.cpp 72% <0%> (-9%) ⬇️
src/core/rotation.cpp 91% <0%> (-7%) ⬇️
src/core/RuntimeErrorStream.cpp 60% <0%> (-4%) ⬇️
...ipt_interface/constraints/ShapeBasedConstraint.hpp 90% <0%> (-4%) ⬇️
... and 155 more

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@KaiSzuttor KaiSzuttor changed the title WIP: external force density in first integration step external force density in first integration step Sep 10, 2019
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ready for review @RudolfWeeber

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The call

    lbfields = lb_get_initialized_fields(lbpar, lblattice);

might result in the fields array to be allocated twice (once the previous value of fields, once the one instanced in the funciton.).
Probably better pass fields as a reference to the funciton.
Also, please add doxgen for teh funciotn since it has some non-obvious logic.

There is a lot of unrelated formatting in there. Please check that your autopep8 args and version match the one in the CI.

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sorry, I forgot to enable some formatting flags... the version is the same as in the CI

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bors r+

bors bot added a commit that referenced this pull request Sep 11, 2019
3144: external force density in first integration step r=RudolfWeeber a=KaiSzuttor

Fixes #2875

Description of changes:
 - initialize the force density member with the external force density set by the user
 - if node velocity is set from the interface, the force density on this node is reset

Co-authored-by: Kai Szuttor <[email protected]>
Co-authored-by: RudolfWeeber <[email protected]>
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bors bot commented Sep 11, 2019

Build succeeded

@bors bors bot merged commit 583da85 into espressomd:python Sep 11, 2019
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LB CPU+GPU: ext_force_density ignored in 1st time step
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