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SH: Tests and minor refactor#133

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danielhollas merged 9 commits intomasterfrom
sh-integ-cleanup
May 24, 2022
Merged

SH: Tests and minor refactor#133
danielhollas merged 9 commits intomasterfrom
sh-integ-cleanup

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@danielhollas danielhollas commented May 20, 2022

  • Add tests for energy conservation tests
  • do not precalculate electronic populations, calculate them as needed from the coefficients
  • privatize SH input parameters, make an auxiliary function for reading the from the input file
  • minor refactor in sh_integ

@danielhollas danielhollas self-assigned this May 20, 2022
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codecov Bot commented May 20, 2022

Codecov Report

Merging #133 (3cbadf7) into master (d3f7483) will increase coverage by 0.26%.
The diff coverage is 94.80%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #133      +/-   ##
==========================================
+ Coverage   94.38%   94.64%   +0.26%     
==========================================
  Files          42       42              
  Lines        5873     5883      +10     
==========================================
+ Hits         5543     5568      +25     
+ Misses        330      315      -15     
Flag Coverage Δ
unittests 25.79% <1.29%> (-0.05%) ⬇️

Flags with carried forward coverage won't be shown. Click here to find out more.

Impacted Files Coverage Δ
src/landau_zener.F90 89.02% <60.00%> (+0.36%) ⬆️
src/sh_integ.F90 97.62% <96.77%> (-0.41%) ⬇️
src/surfacehop.F90 98.33% <97.29%> (+3.25%) ⬆️
src/analysis.F90 98.82% <100.00%> (+<0.01%) ⬆️
src/force_abin.F90 93.92% <100.00%> (ø)
src/init.F90 90.95% <100.00%> (-0.03%) ⬇️

@danielhollas danielhollas changed the title WIP: Minor refactor in sh_integ SH: Tests and minor refactor May 23, 2022
@danielhollas danielhollas marked this pull request as ready for review May 23, 2022 17:03
@danielhollas danielhollas requested a review from suchanj May 23, 2022 17:06
@danielhollas danielhollas merged commit 4c0b4a1 into master May 24, 2022
@danielhollas danielhollas deleted the sh-integ-cleanup branch May 24, 2022 10:25
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2 participants