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Migrate cc40, cc41, cc42, cc43 #2461

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merged 2 commits into from
Mar 4, 2022
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JonathonMisiewicz
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Description

As of this PR, cctests 1-33, 35-45 are ported. cc44 and cc45 (which test EOM root energies) needed no modifications. The tests added here cover CC2 rotational proeprties. Next on the list is an EOM dipole test, possibly bundled with an oscillator strength test.

@loriab @lothian

Checklist

  • Changed tests pass

Status

  • Ready for review
  • Ready for merge

@JonathonMisiewicz JonathonMisiewicz added testing cc For all issues involving the CC module, ground-state energies to response properties. labels Mar 4, 2022
@JonathonMisiewicz JonathonMisiewicz added this to the Psi4 1.6 milestone Mar 4, 2022
tests/cc19/input.dat Show resolved Hide resolved
@JonathonMisiewicz JonathonMisiewicz merged commit 4c81d8b into psi4:master Mar 4, 2022
zachglick pushed a commit to zachglick/psi4 that referenced this pull request Apr 18, 2022
* Migrate cc40, cc41, cc42, cc43
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4 participants