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Dev kun #30

Merged
merged 22 commits into from
Oct 25, 2022
Merged

Dev kun #30

merged 22 commits into from
Oct 25, 2022

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kunyuan
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@kunyuan kunyuan commented Oct 24, 2022

Add _reduced_uniform_meshmap for even and odd kgrid size, and with or without shift
Add integration test for DFTK symmetrized mesh .
Closes #26

@kunyuan kunyuan added the enhancement New feature or request label Oct 24, 2022
@assert !isempty(symmetries) # Identity has to be always present.
_kgrid_size = ones(Int, DIM)
_kgrid_size[1:DIM] = kgrid_size[1:DIM]
_kshift = kshift ? [1 // 2, 1 // 2, 1 // 2] : [0, 0, 0]
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what if DIM=2?

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fixed

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codecov-commenter commented Oct 24, 2022

Codecov Report

Merging #30 (b821b9f) into dev (45365d6) will increase coverage by 11.73%.
The diff coverage is 51.13%.

❗ Current head b821b9f differs from pull request most recent head d655426. Consider uploading reports for the commit d655426 to get more accurate results

@@             Coverage Diff             @@
##              dev      #30       +/-   ##
===========================================
+ Coverage   31.58%   43.32%   +11.73%     
===========================================
  Files          19       20        +1     
  Lines        1143     1198       +55     
===========================================
+ Hits          361      519      +158     
+ Misses        782      679      -103     
Impacted Files Coverage Δ
src/AbstractMeshes.jl 50.00% <0.00%> (-1.73%) ⬇️
src/Model.jl 47.72% <0.00%> (-47.73%) ⬇️
src/printing.jl 0.00% <0.00%> (ø)
src/symmetry/PointSymmetry.jl 0.00% <ø> (ø)
src/symmetry/bzmesh.jl 0.00% <0.00%> (ø)
src/symmetry/symmetry.jl 6.94% <ø> (+6.94%) ⬆️
src/BZMeshes.jl 70.00% <40.00%> (-10.00%) ⬇️
src/symmetry/spglib.jl 76.54% <60.00%> (+76.54%) ⬆️
src/meshes/reduced_uniform_map.jl 61.38% <61.38%> (ø)
src/BaseMesh.jl 85.07% <81.25%> (-0.72%) ⬇️
... and 4 more

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return klinearidx
end

function reduced_uniform_meshmap(model::UniformKMeshSym.Model, dim; kgrid_size::Vector{Int})
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file name uiniform->uniform

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fixed

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4 participants