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WIP: short range and cells refactor #3787

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wants to merge 38 commits into from
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WIP: short range and cells refactor #3787

wants to merge 38 commits into from

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fweik
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@fweik fweik commented Jul 2, 2020

Depends on #3780.

Exposition only for now.

Description of changes:

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codecov bot commented Jul 2, 2020

Codecov Report

Merging #3787 into python will decrease coverage by 0%.
The diff coverage is 88%.

Impacted file tree graph

@@           Coverage Diff           @@
##           python   #3787    +/-   ##
=======================================
- Coverage      89%     89%    -1%     
=======================================
  Files         554     549     -5     
  Lines       24166   23847   -319     
=======================================
- Hits        21566   21277   -289     
+ Misses       2600    2570    -30     
Impacted Files Coverage Δ
src/core/BoxGeometry.hpp 100% <ø> (ø)
src/core/DomainDecomposition.cpp 93% <ø> (ø)
src/core/EspressoSystemInterface.hpp 48% <ø> (ø)
src/core/ParticleDecomposition.hpp 100% <ø> (ø)
src/core/collision.hpp 94% <ø> (-6%) ⬇️
src/core/energy_inline.hpp 83% <ø> (-1%) ⬇️
src/core/forces.cpp 100% <ø> (ø)
src/core/forces_inline.hpp 92% <ø> (+1%) ⬆️
src/core/immersed_boundary/ImmersedBoundaries.hpp 100% <ø> (ø)
src/core/particle_data.cpp 96% <ø> (-1%) ⬇️
... and 65 more

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fweik added 27 commits August 17, 2020 15:38
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fweik commented Aug 21, 2020

I currently don't have time to work on this.

@fweik fweik closed this Aug 21, 2020
@jngrad jngrad self-assigned this Aug 24, 2020
kodiakhq bot added a commit that referenced this pull request Sep 2, 2020
Rewrite of #3787

Description of changes:
- simplify short range loop
   - remove `for_each_pair.hpp ` and `verlet_ia.hpp` helper functions
   - delegate distance calculation and cell iteration to the `CellStructure` class
- hide implementation details of `CellStructure`
   - make `local_cells()` private
   - encapsulate debug functions
   - remove global variables `n_verlet_updates` and `rebuild_verletlist`
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2 participants