feat: Chiral nanotube and graphene sheet creator - #2195
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trisyoungs
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July 9, 2025 14:25
rprospero
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One minor suggestion that could result a negligible performance gain, but everything else looks good.
Co-authored-by: Adam Washington <adam.washington@stfc.ac.uk>
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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: 124cde4 | Previous: 1eb5245 | Ratio |
|---|---|---|---|
BM_HistogramBinning_1d/16777216 |
28.820826313604883 ns/iter |
10.285278507054207 ns/iter |
2.80 |
This comment was automatically generated by workflow using github-action-benchmark.
CC: @disorderedmaterials/dissolve-devs
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This PR replaces the previous simplistic nanotube creation with one which implements the proper (n,m) system. It will also generate plain graphene sheets, periodic or not.
TODO