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@TiborGY TiborGY commented Aug 10, 2022

Description

Remove the approximate excitation level (AEL) code. It is not called anywhere C++-side, it is not PSI_API and I do not think it is exported to Py-side. So dead code as far as I can tell.

Plus, it might also be somehow broken as well, judging by this comment:

** I was never able to get these results to agree with those of JFS or
** the current ACES2 so I'm not going to use this right now.

There is an AEL expert option for the ccdensity module, however as far as I can tell setting it true would not do anything at all, as there is no code that would call the AEL function removed by this PR. Therefore this PR also removes the defunct option.

Please note that this PR does not touch the AEL calculation in cclambda/projections.cc, as it is completely unrelated.

If this is merged I will submit the file to psi4attic. This is another shard of the #2642 mega-PR that can be merged independently.

Todos

  • The unused AEL code is deleted
  • The defunct AEL option is removed

Status

  • Ready for review
  • Ready for merge

@loriab loriab added cc For all issues involving the CC module, ground-state energies to response properties. cleanup For issues where the goal is to make Psi4 a little cleaner. labels Aug 10, 2022
@loriab loriab added this to the Psi4 1.7 milestone Aug 10, 2022
@loriab loriab merged commit e8cb326 into psi4:master Aug 10, 2022
TiborGY added a commit to TiborGY/psi4attic that referenced this pull request Aug 10, 2022
@TiborGY TiborGY deleted the patch-5 branch August 19, 2022 14:48
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4 participants