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Add TD-DFT psivar access pattern #2506

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merged 1 commit into from
Mar 29, 2022

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JonathonMisiewicz
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Description

Ticks off an item on #2486 and #2477 by allowing "TD-DFT" to be a way to access TD-DFT psivars. As far as I'm aware, TD-DFT psivars are now as we want them.

Checklist

  • tdscf tests pass

Status

  • Ready for review
  • Ready for merge

@JonathonMisiewicz JonathonMisiewicz added api Involves the Psi4 API. How do users access "stuff"? dft For issues specific to DFT and their many functionals. labels Mar 26, 2022
@JonathonMisiewicz JonathonMisiewicz added this to the Psi4 1.6 milestone Mar 26, 2022
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@jeffschriber jeffschriber left a comment

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lgtm

@JonathonMisiewicz JonathonMisiewicz merged commit aa6b5da into psi4:master Mar 29, 2022
@JonathonMisiewicz JonathonMisiewicz deleted the tdscf_var branch March 29, 2022 14:44
zachglick pushed a commit to zachglick/psi4 that referenced this pull request Apr 18, 2022
zachglick pushed a commit to zachglick/psi4 that referenced this pull request Apr 18, 2022
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4 participants