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Backport of support for SSSP v1.3 and PseudoDojo v0.5 #157

Merged
merged 3 commits into from
Sep 3, 2023
Merged

Backport of support for SSSP v1.3 and PseudoDojo v0.5 #157

merged 3 commits into from
Sep 3, 2023

Commits on Aug 30, 2023

  1. Add support for SSSP v1.3 

    The pseudopotentials of elements At, Fr, Ra are added from PSlibrary.
The pseudopotentials for the actinides are added from the dataset of:
https://www.uni-marburg.de/de/fb15/arbeitsgruppen/anorganische_chemie/ag-kraus/forschung/paw_datasets_for_the_actinoids

Cherry-pick: 5709f27
    @unkcpz @sphuber
    unkcpz authored and sphuber committed Aug 30, 2023
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  2. Add support for Pseudo-dojo v0.5 

    Add the various configurations/urls for Pseudo-dojo v0.5, and
add the option to the CLI install command.

Since the `.djrepo` files are missing the `hints` generated
using the delta factor, fall back on the `ppgen_hints` provided
by ONCVPSP in this case.

Cherry-pick: 2796a7f
    @mbercx @sphuber
    mbercx authored and sphuber committed Aug 30, 2023
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Commits on Sep 3, 2023

  1. Add upper limit for docutils

    @mbercx
    mbercx committed Sep 3, 2023
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