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Remove non I/O features from the package. Implement bi-directional UPF <-> PSP8 conversion. Implement PSP8 writer. #13

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Remove non I/O features from the package. Implement bi-directional UPF <-> PSP8 conversion. Implement PSP8 writer. #13

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Commits on Dec 14, 2023

  1. Remove AbstractPsP and subtypes. Various tweaks. UPF betas not trunca… 

    …ted to cutoff_radius_index. Convert UPF <=> PSP8.
    @azadoks
    azadoks committed Dec 14, 2023
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  2. Fix unit conversion for Vlocal in UPF <=> PSP8

    @azadoks
    azadoks committed Dec 14, 2023
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  3. Extrapolate splines in UPF => PSP8 so that r=0.0 won't error when the… 

    … UPF mesh doesn't contain it
    @azadoks
    azadoks committed Dec 14, 2023
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  4. Support all-electron valence and core density in psp8. Add psp8 write… 

    …r. Fix UPF -> PSP8.
    @azadoks
    azadoks committed Dec 14, 2023
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