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Symmetry shift for double factorization #6574

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merged 34 commits into from
Nov 27, 2024
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@obliviateandsurrender obliviateandsurrender commented Nov 12, 2024

Context: Adds BLISS-based symmetry shift for double factorization.

Description of the Change: Adds a labs.qchem.factorization.symmetry_shift function to perform BLISS.

Benefits: This can be used as a pre-processing step to reduce one-norm and spectral range before performing compressed double factorization.

Possible Drawbacks: N/A

Related GitHub Issues: [sc-72646]

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Hello. You may have forgotten to update the changelog!
Please edit doc/releases/changelog-dev.md with:

  • A one-to-two sentence description of the change. You may include a small working example for new features.
  • A link back to this PR.
  • Your name (or GitHub username) in the contributors section.

@obliviateandsurrender obliviateandsurrender changed the base branch from master to cholesky-factorize November 12, 2024 12:54
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codecov bot commented Nov 12, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 99.65%. Comparing base (c198e2b) to head (c74f057).
Report is 1 commits behind head on master.

Additional details and impacted files
@@           Coverage Diff           @@
##           master    #6574   +/-   ##
=======================================
  Coverage   99.65%   99.65%           
=======================================
  Files         455      455           
  Lines       42839    42876   +37     
=======================================
+ Hits        42690    42727   +37     
  Misses        149      149           

☔ View full report in Codecov by Sentry.
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Base automatically changed from cholesky-factorize to master November 27, 2024 22:28
@obliviateandsurrender obliviateandsurrender merged commit 00eb1e5 into master Nov 27, 2024
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@obliviateandsurrender obliviateandsurrender deleted the symmetry-shift branch November 27, 2024 23:26
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3 participants