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broadenedTR added to TR module #2034

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broadenedTR added to TR module #2034

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Danbr4d
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@Danbr4d Danbr4d commented Jan 9, 2025

Added in the ability to calculate the TR from the FT partialSQs into the TR module

@Danbr4d Danbr4d self-assigned this Jan 9, 2025
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⚠️ Performance Alert ⚠️

Possible performance regression was detected for benchmark.
Benchmark result of this commit is worse than the previous benchmark result exceeding threshold 2.

Benchmark suite Current: f920f83 Previous: a61638e Ratio
BM_Box_MinimumDistance<CubicBox> 17.432889804294614 ns/iter 5.671768850847747 ns/iter 3.07
BM_Box_MinimumDistanceSquared<CubicBox> 18.040541376176296 ns/iter 5.598936994065313 ns/iter 3.22
BM_Box_MinimumDistance<OrthorhombicBox> 17.410151282217303 ns/iter 5.352243727138727 ns/iter 3.25
BM_Box_MinimumDistanceSquared<OrthorhombicBox> 17.412168083992864 ns/iter 5.631994645033911 ns/iter 3.09
BM_Box_MinimumDistance<MonoclinicAlphaBox> 17.420973279816295 ns/iter 5.604479397391105 ns/iter 3.11
BM_Box_MinimumDistanceSquared<MonoclinicAlphaBox> 17.415885406220756 ns/iter 4.9961470077808565 ns/iter 3.49

This comment was automatically generated by workflow using github-action-benchmark.

CC: @disorderedmaterials/dissolve-devs

@Danbr4d Danbr4d requested a review from trisyoungs February 5, 2025 10:14
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