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add note about potentially using LLL-reduction in nigglibasis one day
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@thchr
thchr committed Oct 8, 2024
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8 changes: 8 additions & 0 deletions Bravais/src/niggli.jl
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Expand Up @@ -74,6 +74,14 @@ function nigglibasis(
# tolerance
D = 3 # algorithm assumes 3D setting (TODO: extend to 2D?)
ϵ = rtol * abs(volume(Rs))^(1/D)

# NB: it would make sense in principle to start by doing a conventional lattice
# reduction step here, e.g., `lll` from LLLplus.jl, to make sure we have a good
# "starting point" for the algorithm; this would mean we'd need to do fewer of the
# iterations below, especially for very skewed input. But LLLplus.jl is not very
# fast - usually slower than `nigglibasis` itself, so don't do it for now.
# Rs_lll = lll(stack(Rs))[1] # LLL-reduced basis
# Rs = DirectBasis(eachcol(Rs))

# initialization
A, B, C, ξ, η, ζ = niggli_parameters(Rs)
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@thchr thchr commented on 45f25bd Oct 8, 2024

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Registration pull request created: JuliaRegistries/General/116852

Tip: Release Notes

Did you know you can add release notes too? Just add markdown formatted text underneath the comment after the text
"Release notes:" and it will be added to the registry PR, and if TagBot is installed it will also be added to the
release that TagBot creates. i.e.

@JuliaRegistrator register

Release notes:

## Breaking changes

- blah

To add them here just re-invoke and the PR will be updated.

Tagging

After the above pull request is merged, it is recommended that a tag is created on this repository for the registered package version.

This will be done automatically if the Julia TagBot GitHub Action is installed, or can be done manually through the github interface, or via:

git tag -a v0.6.5 -m "<description of version>" 45f25bd7afca9067a7e2f4a460f43e2699f955f6
git push origin v0.6.5

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