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Adds Hubbard-Kanamori example + small related improvements - #19

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ryanlevy merged 7 commits into
SFQMC:mainfrom
bkesk:main
Jun 1, 2026
Merged

ryanlevy merged 7 commits into
SFQMC:mainfrom
bkesk:main

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@bkesk

@bkesk bkesk commented May 26, 2026

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The main contributions are:

  1. The Hubbard-Kanamori model example (with no reference to the lattice model builder in afqmctools)
  2. Added doc strings to the AutoHFHamiltonian to explain the input parameter conventions
  3. fixed an indentation bug in setting the one-body Hamiltonian in AutoHFHamiltonian

@bkesk
bkesk requested a review from ryanlevy May 26, 2026 15:05

@ryanlevy ryanlevy left a comment

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Thanks Kyle, good catches! Some nit picky requests but nearly there

Comment thread autohf/hamiltonian.py Outdated
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Comment thread autohf/hamiltonian.py
Comment thread autohf/hamiltonian.py
Comment thread examples/10_kanamori/kanamori.py
Comment thread examples/10_kanamori/kanamori.py
Comment thread examples/10_kanamori/kanamori.py Outdated
Comment thread examples/10_kanamori/kanamori.py
Comment thread examples/10_kanamori/kanamori.py Outdated
@bkesk

bkesk commented May 28, 2026

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I made changes to the Doc strings in AutoHFHamiltonian in 0e7766a based on your comments @ryanlevy, please confirm that they have been adequately addressed.

I think the only lingering issue here is in the intro to the Hubbard-Kanamori example. See my response to your comment!

@ryanlevy

ryanlevy commented Jun 1, 2026

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Thanks Kyle!

@ryanlevy
ryanlevy merged commit bef3dd6 into SFQMC:main Jun 1, 2026
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2 participants