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Separate refprep and Uprep #259

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JonathonMisiewicz
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Description

Several PQE-like functions need to know how to prepare the reference determinant and assume it can be done by applying self._Uprep. This can break down if a user supplied an initial Uprep circuit, so this task is now delegated to refprep.

User Notes

  • Fixed bugs that could occur if a user supplied an initial circuit for a PQE computation or a calculation with moment corrections

Checklist

  • Ready to go!

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Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 81.95%. Comparing base (47959c4) to head (690b568).
Report is 1 commits behind head on master.

Additional details and impacted files
@@           Coverage Diff           @@
##           master     #259   +/-   ##
=======================================
  Coverage   81.95%   81.95%           
=======================================
  Files          25       25           
  Lines        2372     2372           
=======================================
  Hits         1944     1944           
  Misses        428      428           

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@imagoulas imagoulas left a comment

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Just one minor suggestion. Feel free to merge when you feel like it.

src/qforte/utils/state_prep.py Outdated Show resolved Hide resolved
@JonathonMisiewicz JonathonMisiewicz merged commit 0a515a9 into evangelistalab:master May 21, 2024
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@JonathonMisiewicz JonathonMisiewicz deleted the ref_u_separate branch May 21, 2024 23:10
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3 participants