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Fix d2k function #3932

Merged
merged 12 commits into from
Aug 6, 2024
Merged

Fix d2k function #3932

merged 12 commits into from
Aug 6, 2024

Commits on Jul 17, 2024

  1. Fix d2k function 

    Need to use the transpose of the inverse matrix for recipmatrix
    @tpurcell90
    tpurcell90 committed Jul 17, 2024
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Commits on Jul 19, 2024

  1. Merge branch 'master' into aims_kpoint_density_fix

    @tpurcell90
    tpurcell90 authored Jul 19, 2024
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Commits on Jul 30, 2024

  1. Merge branch 'master' into aims_kpoint_density_fix

    @tpurcell90
    tpurcell90 authored Jul 30, 2024
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Commits on Aug 5, 2024

  1. breaking: snake_case method args kpt_density and recip_cell (better t… 

    …o do early while user base small)
    @janosh
    janosh committed Aug 5, 2024
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  2. d2k_recip_cell fix kpt_density type anno and doc str

    @janosh
    janosh committed Aug 5, 2024
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  3. Merge branch 'master' into aims_kpoint_density_fix

    @janosh
    janosh authored Aug 5, 2024
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  4. Add test for aims density conversions

    @tpurcell90
    tpurcell90 committed Aug 5, 2024
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  5. Fix mypy errors

    @tpurcell90
    tpurcell90 committed Aug 5, 2024
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  6. Add print line to see what the actual errors look like 

    All tests pass locally
    @tpurcell90
    tpurcell90 committed Aug 5, 2024
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  7. for supercell round coords 

    should fix error in tests
    @tpurcell90
    tpurcell90 committed Aug 5, 2024
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  8. remove extra print line

    @tpurcell90
    tpurcell90 committed Aug 5, 2024
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Commits on Aug 6, 2024

  1. refactor test_static_si_no_kgrid

    @janosh
    janosh committed Aug 6, 2024
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