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Libxc6, take 2 #2817

Merged
merged 4 commits into from
Dec 6, 2022
Merged

Libxc6, take 2 #2817

merged 4 commits into from
Dec 6, 2022

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loriab
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@loriab loriab commented Dec 1, 2022

Description

User API & Changelog headlines

  • set_tweak(vec) killed off (deprecated since v1.5)
  • allows LibXC v5 or v6
  • fixes one test for python 3.11 and requires a new pb11 for it

Checklist

  • Tests added for any new features
  • full tests run with libxc6 and python 3.11

Status

  • Ready for review
  • Ready for merge

@loriab loriab added this to the Psi4 1.7 milestone Dec 2, 2022
@loriab loriab merged commit e96cb00 into psi4:master Dec 6, 2022
@loriab loriab deleted the libxc6_rb1 branch December 6, 2022 21:39
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4 participants