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Add option for different backends for SpatialHashingCellList.

Please have a look @efaulhaber .

@svchb svchb added the enhancement New feature or request label May 14, 2025
@RubberLanding RubberLanding force-pushed the SpatialHashingBackend branch from 558bd39 to 5628e27 Compare May 22, 2025 09:05
@RubberLanding RubberLanding force-pushed the SpatialHashingBackend branch from 5628e27 to d5f2960 Compare May 22, 2025 09:08
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codecov bot commented May 22, 2025

Codecov Report

❌ Patch coverage is 82.85714% with 12 lines in your changes missing coverage. Please review.
✅ Project coverage is 86.94%. Comparing base (12ad0b3) to head (a1e1fb9).

Files with missing lines Patch % Lines
src/cell_lists/spatial_hashing.jl 87.23% 6 Missing ⚠️
src/gpu.jl 0.00% 6 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #111      +/-   ##
==========================================
- Coverage   87.84%   86.94%   -0.90%     
==========================================
  Files          15       15              
  Lines         625      659      +34     
==========================================
+ Hits          549      573      +24     
- Misses         76       86      +10     
Flag Coverage Δ
unit 86.94% <82.85%> (-0.90%) ⬇️

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- Move functions from cell_lists_util.jl to cell_lists.jl
- Change dispatch in `supported_update_strategies()`
- Change doc string of SHCL (SpatialHashingCellList)
- Add `@inbounds` in `push_cell_atomic!`
- Improved type dispatch for `supported_update_strategies`
- Clarified and cleaned up cell list initialization and emptying,
- General code cleanup.
@RubberLanding RubberLanding force-pushed the SpatialHashingBackend branch from 62a464a to 24fddaf Compare June 12, 2025 13:36
@RubberLanding RubberLanding requested a review from efaulhaber June 22, 2025 05:00
Make cell_list.coords primitive to use Atomix.
@efaulhaber efaulhaber closed this Jul 10, 2025
@efaulhaber efaulhaber reopened this Jul 10, 2025
@RubberLanding RubberLanding marked this pull request as ready for review July 10, 2025 07:57
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@efaulhaber efaulhaber left a comment

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Let's finally finish this old PR.

Please add a test with the new backend to the general NHS tests comparing against trivial.

- Update the tests
- Improve the documentation
- Minor changes
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3 participants