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Added direct RHF based MO optimization. #118

Merged
merged 1 commit into from
Oct 8, 2022
Merged

Added direct RHF based MO optimization. #118

merged 1 commit into from
Oct 8, 2022

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frankwswang
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codecov-commenter commented Oct 8, 2022

Codecov Report

Base: 97.73% // Head: 97.61% // Decreases project coverage by -0.11% ⚠️

Coverage data is based on head (f4b7060) compared to base (2e6b402).
Patch coverage: 92.30% of modified lines in pull request are covered.

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #118      +/-   ##
==========================================
- Coverage   97.73%   97.61%   -0.12%     
==========================================
  Files          18       18              
  Lines        2781     2811      +30     
==========================================
+ Hits         2718     2744      +26     
- Misses         63       67       +4     
Impacted Files Coverage Δ
src/Tools.jl 95.19% <40.00%> (-1.23%) ⬇️
src/Differentiation.jl 89.07% <100.00%> (ø)
src/HartreeFock.jl 96.33% <100.00%> (+0.20%) ⬆️
src/Optimization.jl 98.59% <100.00%> (+0.03%) ⬆️

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@frankwswang frankwswang merged commit ece04e1 into main Oct 8, 2022
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2 participants