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Libxc citation #2877

Merged
merged 1 commit into from
Feb 16, 2023
Merged

Libxc citation #2877

merged 1 commit into from
Feb 16, 2023

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loriab
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@loriab loriab commented Feb 16, 2023

Description

closes #2867

User API & Changelog headlines

Dev notes & details

  • functionals created by dict (like TPSS or custom) weren't hitting XC_build where the libxc citation was being set. Fixed by setting the citation from a static fn on LibXCFunctional

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Status

  • Ready for review
  • Ready for merge

@loriab loriab added the dft For issues specific to DFT and their many functionals. label Feb 16, 2023
@loriab loriab added this to the Psi4 1.8 milestone Feb 16, 2023
@maxscheurer maxscheurer merged commit 4bf6af3 into psi4:master Feb 16, 2023
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@maxscheurer maxscheurer maxscheurer approved these changes

@JonathonMisiewicz JonathonMisiewicz JonathonMisiewicz approved these changes

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dft For issues specific to DFT and their many functionals.
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Psi4 1.8
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Successfully merging this pull request may close these issues.

Libxc reference is not printed out
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@loriab @maxscheurer @JonathonMisiewicz