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Add SAP basis set #346

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Add SAP basis set #346

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@kshitij-05 kshitij-05 commented Aug 27, 2024 •
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This PR adds SAP basis sets provided in https://doi.org/10.1063/5.0004046.

Bugfixes:

  • Updated the element 105 names from Hahnium to Dubnium.
  • Fixed a bug where if Z=118 is present in the basis set file, libint couldn't read the basis set.

@kshitij-05 kshitij-05 changed the title Support for SAP integrals Add SAP basis set Feb 26, 2025
@kshitij-05 kshitij-05 requested a review from evaleev February 26, 2025 21:34
@kshitij-05 kshitij-05 marked this pull request as ready for review March 5, 2025 20:08
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@evaleev evaleev evaleev approved these changes

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