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Add seed: int = 0 parameter to Structure.perturb() method#4270

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shyuep merged 2 commits intomaterialsproject:masterfrom
janosh:struct-perturb-seed
Jan 28, 2025
Merged

Add seed: int = 0 parameter to Structure.perturb() method#4270
shyuep merged 2 commits intomaterialsproject:masterfrom
janosh:struct-perturb-seed

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@janosh
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@janosh janosh commented Jan 27, 2025

  • Update tests to verify reproducible random perturbations with same seed
  • Add test cases for different seed values and min_distance parameter

- Update tests to verify reproducible random perturbations with same seed
- Add test cases for different seed values and min_distance parameter
@shyuep
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shyuep commented Jan 27, 2025

I am confused why this is really needed. The definition of a random perturbation means it is non-deterministic. The only determinism is an inequality based on the amplitude of the perturbation.

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janosh commented Jan 27, 2025

needed for downstream packages that use the perturb method in testing

@shyuep shyuep merged commit f82ce1f into materialsproject:master Jan 28, 2025
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@janosh janosh deleted the struct-perturb-seed branch January 28, 2025 22:50
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2 participants