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Add Hessian support#180

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TyBalduf merged 3 commits intomainfrom
hessian
Nov 28, 2022
Merged

Add Hessian support#180
TyBalduf merged 3 commits intomainfrom
hessian

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@TyBalduf
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awvwgk and others added 3 commits October 12, 2022 15:11
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codecov bot commented Nov 21, 2022

Codecov Report

Merging #180 (9059219) into main (5bb34b8) will decrease coverage by 0.62%.
The diff coverage is 50.00%.

@@            Coverage Diff             @@
##             main     #180      +/-   ##
==========================================
- Coverage   60.12%   59.50%   -0.63%     
==========================================
  Files          44       46       +2     
  Lines        3130     3215      +85     
  Branches     1019     1049      +30     
==========================================
+ Hits         1882     1913      +31     
- Misses        667      704      +37     
- Partials      581      598      +17     
Impacted Files Coverage Δ
src/dftd4/output.f90 50.00% <14.28%> (-1.40%) ⬇️
app/cli.f90 56.94% <20.00%> (-0.61%) ⬇️
app/driver.f90 40.00% <33.33%> (-1.59%) ⬇️
src/dftd4/api.f90 40.53% <46.87%> (-0.15%) ⬇️
src/dftd4/numdiff.f90 66.66% <66.66%> (ø)
test/api/example.c 62.06% <88.88%> (+10.84%) ⬆️
src/dftd4/disp.f90 64.10% <100.00%> (ø)
python/dftd4/data.py 0.00% <0.00%> (ø)

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@TyBalduf TyBalduf merged commit aec3ff7 into main Nov 28, 2022
@TyBalduf TyBalduf deleted the hessian branch November 28, 2022 14:28
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2 participants