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Add lattice vectors to kpoints

Merged Micael Oliveira requested to merge kpoints_lattice into develop
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Description

Add a copy of the lattice vectors to the kpoints and use this in a few places. Also took the opportunity to clean up a bit the kpoints module.

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  • Micael Oliveira added 3 commits

    added 3 commits

    • dcf4dc4a - Do not use MAX_DIM in kpoints anymore.
    • 7a753175 - Pass the full lattice vectors instead of passing only r/klattice arrays to...
    • edb7fe14 - Add a copy of the lattice vectors in the kpoints. Use this in a few places.

    Compare with previous version

  • Codecov Report

    Merging #1334 (0cfe8103) into develop (6860645f) will decrease coverage by 0.01%. The diff coverage is 26.92%.

    Impacted file tree graph

    @@             Coverage Diff             @@
    ##           develop    #1334      +/-   ##
    ===========================================
    - Coverage    65.60%   65.59%   -0.02%     
    ===========================================
      Files          522      522              
      Lines        93089    93076      -13     
    ===========================================
    - Hits         61068    61049      -19     
    - Misses       32021    32027       +6     
    Impacted Files Coverage Δ
    src/electrons/kpoints.F90 83.16% <ø> (-1.05%) :arrow_down:
    src/hamiltonian/singularity.F90 12.37% <0.00%> (-0.40%) :arrow_down:
    src/poisson/poisson_psolver.F90 57.43% <0.00%> (-0.40%) :arrow_down:
    src/hamiltonian/kick.F90 60.81% <20.00%> (ø)
    src/td/td.F90 69.35% <50.00%> (ø)
    src/utils/unfold.F90 85.50% <80.00%> (+0.84%) :arrow_up:

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  • Nicolas Tancogne-Dejean resolved all threads

    resolved all threads

  • Micael Oliveira added 3 commits

    added 3 commits

    • f28d79ed - Do not use MAX_DIM in kpoints anymore.
    • e1a022eb - Pass the full lattice vectors instead of passing only r/klattice arrays to...
    • 0cfe8103 - Add a copy of the lattice vectors in the kpoints. Use this in a few places.

    Compare with previous version

  • Nicolas Tancogne-Dejean approved this merge request

    approved this merge request

  • Micael Oliveira enabled an automatic merge when the pipeline for 0cfe8103 succeeds

    enabled an automatic merge when the pipeline for 0cfe8103 succeeds

  • Micael Oliveira mentioned in commit ceecdb45

    mentioned in commit ceecdb45

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