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Support freezing Hartree-Fock energies at each forging iteration #307

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merged 36 commits into from
Aug 14, 2023

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@caleb-johnson caleb-johnson commented Jul 5, 2023

This PR allows users to set the HF energy explicitly, rather than calculating it at each iteration with quantum experiments. This can improve the runtime of the algorithm, and it can also improve results.

  • Make release note
  • Link to explanatory in docstring
  • Change variable names in knitter to reflect that the hf_energy has been shifted
  • Get new code up to 100% coverage

@caleb-johnson caleb-johnson added enhancement New feature or request forging labels Jul 5, 2023
@caleb-johnson caleb-johnson added this to the 0.3.0 milestone Jul 5, 2023
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coveralls commented Jul 5, 2023

Pull Request Test Coverage Report for Build 5615729580

  • 34 of 34 (100.0%) changed or added relevant lines in 2 files are covered.
  • 3 unchanged lines in 2 files lost coverage.
  • Overall coverage increased (+0.8%) to 90.823%

Files with Coverage Reduction New Missed Lines %
circuit_knitting/forging/entanglement_forging_operator.py 1 59.09%
circuit_knitting/utils/orbital_reduction.py 2 60.0%
Totals Coverage Status
Change from base Build 5433896893: 0.8%
Covered Lines: 2593
Relevant Lines: 2855

💛 - Coveralls

@caleb-johnson caleb-johnson marked this pull request as draft July 5, 2023 16:48
@caleb-johnson caleb-johnson marked this pull request as ready for review July 12, 2023 00:19
@caleb-johnson caleb-johnson marked this pull request as draft July 12, 2023 16:19
@caleb-johnson caleb-johnson removed the request for review from garrison July 12, 2023 16:19
@caleb-johnson caleb-johnson marked this pull request as ready for review July 12, 2023 23:39
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@garrison garrison left a comment

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This looks basically good, I just marked a few things that were not entirely clear to me. 🙂

@caleb-johnson caleb-johnson merged commit 0e7be5e into main Aug 14, 2023
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@caleb-johnson caleb-johnson deleted the fixed-hf branch August 14, 2023 21:06
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3 participants