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FIX/TST: Adjust MIN_SITE_FRACTION and add tests #344

merged 2 commits into from Jun 1, 2021


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@richardotis richardotis commented May 31, 2021

  • Change MIN_SITE_FRACTION to 1e-14
  • Add a test to confirm the high-temperature jitter in Al-Ni is fixed by the change (was checked before and after)
  • Adjust test_degree_of_ordering tolerance to account for sensitivity of our degree-of-ordering metric to differences in MIN_SITE_FRACTION
  • Add a test to close Chemical potential conditions not converging for Al-Fe B2_BCC #259
  • Add Windows compiled extension type .pyd to .gitignore

@richardotis richardotis added this to the 0.9 milestone May 31, 2021
@richardotis richardotis requested a review from bocklund May 31, 2021 22:28
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codecov bot commented May 31, 2021

Codecov Report

Merging #344 (7aa0207) into develop (90696b6) will increase coverage by 0.04%.
The diff coverage is 100.00%.

Impacted file tree graph

@@             Coverage Diff             @@
##           develop     #344      +/-   ##
+ Coverage    89.70%   89.75%   +0.04%     
  Files           44       44              
  Lines         4255     4275      +20     
+ Hits          3817     3837      +20     
  Misses         438      438              
Impacted Files Coverage Δ
pycalphad/core/ 100.00% <100.00%> (ø)
pycalphad/tests/ 97.33% <100.00%> (+0.19%) ⬆️
pycalphad/tests/ 100.00% <100.00%> (ø)

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@richardotis richardotis merged commit 373d121 into pycalphad:develop Jun 1, 2021
@richardotis richardotis deleted the fix-259 branch June 1, 2021 01:07
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Chemical potential conditions not converging for Al-Fe B2_BCC
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