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Strong types - #527

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97gamjak wants to merge 12 commits into
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strong_types
Open

Strong types#527
97gamjak wants to merge 12 commits into
devfrom
strong_types

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@97gamjak
97gamjak requested review from ape33 and galjos August 25, 2026 00:21
@pq-perf-bot

pq-perf-bot Bot commented Aug 26, 2026

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⚡ Performance (instruction count) — 🎉 improvement: forceKernel -4.40%

per-benchmark breakdown
benchmark base Ir PR Ir Δ
bondedForces 38.24M 38.24M +0.00%
boxTransforms 10.67M 10.67M +0.00%
constraints 11.05M 11.06M +0.15%
coulombKernel 5.80M 5.80M +0.00%
forceKernel 14.16M 13.54M -4.40% 🎉
integrator 32.91M 32.91M +0.00%
interWater 1679.92M 1679.92M -0.00%
kinetics 8.55M 8.55M +0.00%
linearAlgebra 2.08M 2.08M +0.00%
nonCoulombPairs 5.48M 5.48M +0.01%
shiftVector 5.81M 5.81M +0.00%
virial 9.10M 9.10M +0.00%

Deterministic callgrind instruction counts vs the base branch; gated at ±2%. Not wall-clock.

@codecov

codecov Bot commented Aug 26, 2026

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Codecov Report

❌ Patch coverage is 99.48187% with 1 line in your changes missing coverage. Please review.
✅ Project coverage is 91.34%. Comparing base (8ae5a57) to head (3f4ca3d).
⚠️ Report is 2 commits behind head on dev.

Files with missing lines Patch % Lines
...input/parameterFileReader/nonCoulombicsSection.cpp 95.65% 0 Missing and 1 partial ⚠️
Additional details and impacted files
@@           Coverage Diff           @@
##              dev     #527   +/-   ##
=======================================
  Coverage   91.33%   91.34%           
=======================================
  Files         321      321           
  Lines       14748    14741    -7     
  Branches     4943     4946    +3     
=======================================
- Hits        13470    13465    -5     
+ Misses       1193     1192    -1     
+ Partials       85       84    -1     

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@97gamjak 97gamjak linked an issue Aug 26, 2026 that may be closed by this pull request
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strong types for noncoulomb pairs

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