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Fix bug in lpb fock routine and update tests #2963

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merged 4 commits into from
May 15, 2023
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mfherbst
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Description

Closes #2962.

Status

  • Ready for review
  • Ready for merge

@loriab
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loriab commented May 12, 2023

Thanks very much for investigating. 1.8.0 is minted, but I'll definitely backport this for 1.8.1

@loriab loriab added bug backport external-interface For issues about interfaces with external programs: ADCC, CheMPS2, GDMA, MRCC... labels May 13, 2023
@loriab loriab added this pull request to the merge queue May 15, 2023
Merged via the queue into psi4:master with commit cf00cd6 May 15, 2023
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@loriab loriab added this to the Psi4 1.9 milestone May 27, 2023
loriab pushed a commit that referenced this pull request Jul 10, 2023
* Fix bug in lpb fock routine and update tests

* Slightly more stable tolerances

* fix typo

* And another one
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Bug in LPB fock matrix
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