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VRQ mie fixes #133

Merged
merged 16 commits into from
Dec 20, 2022
Merged

VRQ mie fixes #133

merged 16 commits into from
Dec 20, 2022

Commits on Dec 16, 2022

  1. add k, l BIP to SaftFRQMie, change mixing rule for Mw

    @longemen3000
    longemen3000 committed Dec 16, 2022
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  2. incorrect promotion of d

    @longemen3000
    longemen3000 committed Dec 16, 2022
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Commits on Dec 17, 2022

  1. add integral21 function, working on Bibtex

    @longemen3000
    longemen3000 committed Dec 17, 2022
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  2. VRQMie should be around 9x faster

    @longemen3000
    longemen3000 committed Dec 17, 2022
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  3. non-additive a_hs, remove AD from integral21 for now

    @longemen3000
    longemen3000 committed Dec 17, 2022
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Commits on Dec 18, 2022

  1. add cite(model,:bib) and doi2bib util. fixes #130

    @longemen3000
    longemen3000 committed Dec 18, 2022
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  2. docs for doi2bib

    @longemen3000
    longemen3000 committed Dec 18, 2022
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  3. add VRQ single ref, remove malformed HTTP header warning

    @longemen3000
    longemen3000 committed Dec 18, 2022
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  4. typo for ortho and para hydrogen in VRQ db

    @longemen3000
    longemen3000 committed Dec 18, 2022
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  5. nfc changes in VR

    @longemen3000
    longemen3000 committed Dec 18, 2022
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  6. ζ_X in VRQ uses d[i,j] instead of (di + dj)/2

    @longemen3000
    longemen3000 committed Dec 18, 2022
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  7. remove some repeated calcs in VR

    @longemen3000
    longemen3000 committed Dec 18, 2022
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  8. misc typos, VRQ now runs with multiple comps

    @longemen3000
    longemen3000 committed Dec 18, 2022
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Commits on Dec 19, 2022

  1. fix inconsistency with volume_virial, improve numerical stability

    @longemen3000
    longemen3000 committed Dec 19, 2022
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  2. add cross virial functions, test multi VRQ mie

    @longemen3000
    longemen3000 committed Dec 19, 2022
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Commits on Dec 20, 2022

  1. bump to NLSolvers 0.4

    @longemen3000
    longemen3000 committed Dec 20, 2022
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