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Use only upper triangle to define the orbital optimization rotation #130

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merged 7 commits into from
Jan 30, 2025
Merged

Use only upper triangle to define the orbital optimization rotation #130

merged 7 commits into from
Jan 30, 2025

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caleb-johnson
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@caleb-johnson caleb-johnson commented Jan 29, 2025 •
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Fixes #122

@caleb-johnson caleb-johnson marked this pull request as draft January 29, 2025 14:59
@caleb-johnson caleb-johnson marked this pull request as ready for review January 29, 2025 20:04
kevinsung
kevinsung reviewed Jan 30, 2025
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Thank you! So it looks like this change significantly improved the performance of the optimization, is that correct?

@caleb-johnson
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Thank you! So it looks like this change significantly improved the performance of the optimization, is that correct?

I had changed some of the SQD parameters in the notebook. I went back and restored the defaults and the energy improvement went from .001 to .007. Cutting the search space in >half is definitely great :)

caleb-johnson and others added 2 commits January 30, 2025 08:32
@caleb-johnson @kevinsung
Update qiskit_addon_sqd/fermion.py
819c19f 
Co-authored-by: Kevin J. Sung <kevjsung@umich.edu>
@caleb-johnson
peer review
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@caleb-johnson caleb-johnson merged commit b2782dc into main Jan 30, 2025
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@caleb-johnson caleb-johnson deleted the ooo branch January 30, 2025 15:31
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Orbital optimization uses redundant parameters
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