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Update the geometry optimization function #6666

Merged
merged 6 commits into from
Dec 4, 2024
Merged

Update the geometry optimization function #6666

merged 6 commits into from
Dec 4, 2024

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ddhawan11
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Context:
Updated the geometry optimization function to perform a single task

Description of the Change:

Benefits:

Possible Drawbacks:

Related GitHub Issues:

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github-actions bot commented Dec 4, 2024

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.

@ddhawan11 ddhawan11 requested a review from soranjh December 4, 2024 14:18
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@soranjh soranjh left a comment

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Thanks @ddhawan11.

pennylane/qchem/vibrational/vibrational_class.py Outdated Show resolved Hide resolved
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codecov bot commented Dec 4, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 99.66%. Comparing base (bbcf0fb) to head (a1f3d48).
Report is 1 commits behind head on master.

Additional details and impacted files
@@           Coverage Diff           @@
##           master    #6666   +/-   ##
=======================================
  Coverage   99.66%   99.66%           
=======================================
  Files         464      464           
  Lines       43961    43962    +1     
=======================================
+ Hits        43812    43813    +1     
  Misses        149      149           

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

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@austingmhuang austingmhuang left a comment

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Make sure to address codecov before merging.

@ddhawan11 ddhawan11 enabled auto-merge (squash) December 4, 2024 16:51
@ddhawan11 ddhawan11 disabled auto-merge December 4, 2024 16:58
@ddhawan11 ddhawan11 merged commit b29127c into master Dec 4, 2024
46 checks passed
@ddhawan11 ddhawan11 deleted the optimize_geom branch December 4, 2024 17:24
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3 participants