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Use fermi sentence in qchem dipole and number functions #4546

Merged
merged 17 commits into from
Sep 6, 2023
Merged

Use fermi sentence in qchem dipole and number functions #4546

merged 17 commits into from
Sep 6, 2023

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soranjh
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@soranjh soranjh commented Aug 29, 2023 •
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Context:
The qchem.particle_number and qchem.fermionic_dipole functions use a fermi sentence internally to represent a fermionic spin operator.

Description of the Change:

Benefits:

Possible Drawbacks:

Related GitHub Issues:

@soranjh soranjh added the qchem ⚛️ Related to the QChem package label Aug 29, 2023
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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.

@lillian542
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[sc-43900]

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codecov bot commented Aug 30, 2023 •
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Codecov Report

Patch coverage: 100.00% and project coverage change: -0.01% ⚠️

Comparison is base (c28e5fc) 99.65% compared to head (8f14b39) 99.65%.

Additional details and impacted files 
@@            Coverage Diff             @@
##           master    #4546      +/-   ##
==========================================
- Coverage   99.65%   99.65%   -0.01%     
==========================================
  Files         376      376              
  Lines       33156    33152       -4     
==========================================
- Hits        33042    33038       -4     
  Misses        114      114
Files Changed Coverage Δ
pennylane/qchem/dipole.py 100.00% <100.00%> (ø)
pennylane/qchem/number.py 100.00% <100.00%> (ø)

☔ View full report in Codecov by Sentry.
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lillian542
lillian542 approved these changes Aug 30, 2023
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A couple of small suggestions for documentation changes, but looks good to me!

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Jaybsoni
Jaybsoni reviewed Sep 6, 2023
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Just some small clarifications and suggestions, happy to approve after

doc/releases/changelog-dev.md Outdated Show resolved Hide resolved
pennylane/qchem/dipole.py Show resolved Hide resolved
pennylane/qchem/dipole.py Show resolved Hide resolved
pennylane/qchem/dipole.py Show resolved Hide resolved
pennylane/qchem/number.py Outdated Show resolved Hide resolved
pennylane/qchem/number.py Outdated Show resolved Hide resolved
tests/qchem/test_hamiltonians.py Show resolved Hide resolved
Jaybsoni
Jaybsoni approved these changes Sep 6, 2023
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💯

@soranjh soranjh merged commit 92b8e83 into master Sep 6, 2023
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@soranjh soranjh deleted the qchem_dipole_fermisentence branch September 6, 2023 21:47
mudit2812 pushed a commit that referenced this pull request Sep 7, 2023
@soranjh @mudit2812
Use fermi sentence in qchem dipole and number functions (#4546)
32563c0
mudit2812 pushed a commit that referenced this pull request Sep 8, 2023
@soranjh @mudit2812
Use fermi sentence in qchem dipole and number functions (#4546)
bcd09c4
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@Jaybsoni Jaybsoni Jaybsoni approved these changes

@lillian542 lillian542 lillian542 approved these changes

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@soranjh @lillian542 @Jaybsoni