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Remove now-unused libqt Davidson solver #2925

Merged
merged 1 commit into from
Apr 21, 2023
Merged

Remove now-unused libqt Davidson solver #2925

merged 1 commit into from
Apr 21, 2023

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TiborGY
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@TiborGY TiborGY commented Apr 20, 2023 •
edited

Description

PR #2684 has removed the last remaining call site of the libqt Davidson solver. This PR removes this unused function and file.
The file will be submitted to the attic after this is merged.

User API & Changelog headlines

  • None, david was not PSI_API

Dev notes & details

  • Unused libqt function david and its file are removed.
  • Declared-but-never-defined function print_block is removed from qt.h

Checklist

  • No new features
  • CI tests are passing

Status

  • Ready for review
  • Ready for merge

davpoolechem
davpoolechem reviewed Apr 21, 2023
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Everything looks good, but one question before I approve.

What's the plan with libqt's schmidt_add function? It seems that, with this PR, libqt's schmidt_add finds no other use in the code. Given it is already deprecated, I take it that will be removed in a later PR?

@TiborGY
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TiborGY commented Apr 21, 2023

Everything looks good, but one question before I approve.

What's the plan with libqt's schmidt_add function? It seems that, with this PR, libqt's schmidt_add finds no other use in the code. Given it is already deprecated, I take it that will be removed in a later PR?

Exactly.

@davpoolechem
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Everything looks good, but one question before I approve.
What's the plan with libqt's schmidt_add function? It seems that, with this PR, libqt's schmidt_add finds no other use in the code. Given it is already deprecated, I take it that will be removed in a later PR?

Exactly.

All right, that works for me!

@davpoolechem davpoolechem added this pull request to the merge queue Apr 21, 2023
Merged via the queue into psi4:master with commit bba1fc6 Apr 21, 2023
@loriab loriab added this to the Psi4 1.8 milestone Apr 21, 2023
@loriab loriab added the cleanup For issues where the goal is to make Psi4 a little cleaner. label Apr 21, 2023
@TiborGY TiborGY deleted the rem_qt_david branch April 21, 2023 15:51
TiborGY added a commit to TiborGY/psi4attic that referenced this pull request Apr 22, 2023
@TiborGY
Update libqt Davidson solver to its final version
c06c974 
Removed from main repo by psi4/psi4#2925
@TiborGY TiborGY mentioned this pull request Apr 22, 2023
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@davpoolechem davpoolechem davpoolechem approved these changes

@JonathonMisiewicz JonathonMisiewicz JonathonMisiewicz approved these changes

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@TiborGY @davpoolechem @JonathonMisiewicz @loriab