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Improving the uncertainty quantification methodology #1

Merged
merged 2 commits into from
Jun 23, 2022
Merged

Improving the uncertainty quantification methodology #1

merged 2 commits into from
Jun 23, 2022

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lipelopesoliveira
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@lipelopesoliveira lipelopesoliveira commented Jun 22, 2022 •
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Summary

This PR adds improved versions for quantifying the uncertainty of the mean over the equilibrated portion of the GCMC simulation.

List of changes:

  • Downgrade requirements for Python from python>=3.10 to python>=3.9
  • Add the Standard Error (SE) as possible uncertainty of the average
  • Add the uncorrelated Standard Error (uSE) as possible uncertainty of the average
  • Add the uncorrelated Standard Deviation (uSD) as possible uncertainty of the average and set it as default
  • Small bug fixes

Checklist

  • I ran the appropriate tests.
  • I ran flake8 --max-line-length=100.
  • I wrote documentation for all new features.
  • I have added any new dependencies (libraries and/or tools) to setup.py, Pipfile and README.md.

Related Issue(s)

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@lipelopesoliveira lipelopesoliveira added the enhancement New feature or request label Jun 22, 2022
@lipelopesoliveira lipelopesoliveira self-assigned this Jun 22, 2022
@lipelopesoliveira lipelopesoliveira changed the title Transfer the updated version to the public repository Improving the uncertainty quantification methodology Jun 23, 2022
neumannrf
neumannrf approved these changes Jun 23, 2022
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@neumannrf neumannrf left a comment

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Thanks a lot @lipelopesoliveira !!!

@neumannrf neumannrf merged commit 48ffa3b into main Jun 23, 2022
@neumannrf neumannrf deleted the update branch June 23, 2022 13:35
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@neumannrf neumannrf neumannrf approved these changes

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@lipelopesoliveira @neumannrf