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Add Hamiltonian transform functions for qubit tapering #1966

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merged 55 commits into from
Dec 17, 2021

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soranjh
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@soranjh soranjh commented Dec 1, 2021

Context:
This PR adds functions to transform a Hamiltonian, based on molecular symmetries, such that it acts trivially on a subset of qubits. These qubits can then be removed from the Hamiltonian.

Description of the Change:
The function transform_hamiltonian is added.

Benefits:

Possible Drawbacks:

Related GitHub Issues:

@soranjh soranjh added WIP 🚧 Work-in-progress qchem ⚛️ Related to the QChem package labels Dec 1, 2021
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github-actions bot commented Dec 1, 2021

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.

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codecov bot commented Dec 1, 2021

Codecov Report

Merging #1966 (11878c0) into master (995f04f) will increase coverage by 0.00%.
The diff coverage is 100.00%.

Impacted file tree graph

@@           Coverage Diff           @@
##           master    #1966   +/-   ##
=======================================
  Coverage   99.16%   99.17%           
=======================================
  Files         223      223           
  Lines       17090    17150   +60     
=======================================
+ Hits        16948    17008   +60     
  Misses        142      142           
Impacted Files Coverage Δ
pennylane/hf/__init__.py 100.00% <ø> (ø)
pennylane/hf/tapering.py 100.00% <100.00%> (ø)

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@soranjh soranjh changed the title [WIP] add Hamiltonian transform functions for qubit tapering Add Hamiltonian transform functions for qubit tapering Dec 6, 2021
@soranjh soranjh removed the WIP 🚧 Work-in-progress label Dec 6, 2021
@soranjh soranjh marked this pull request as ready for review December 6, 2021 17:55
@soranjh soranjh mentioned this pull request Dec 16, 2021
@soranjh soranjh merged commit 49b4fe9 into master Dec 17, 2021
@soranjh soranjh deleted the qubit_tapering_hamiltonian branch December 17, 2021 22:01
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6 participants