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Published November 28, 2022 | Version 1.1.0
Software Open

lmfit/lmfit-py: 1.1.0

  • 1. University of Chicago
  • 2. Universität Potsdam
  • 3. Brookhaven National Lab
  • 4. Insitut Pasteur
  • 5. HeidelbergCement
  • 6. Brookhaven National Laboratory
  • 7. Contractor U.S. Geological Survey
  • 8. Google Quantum AI
  • 9. University of Heidelberg
  • 10. University of Colorado Boulder
  • 11. @qdev-dk
  • 12. Pritzker School of Molecular Engineering, University of Chicago

Description

Version 1.1.0 Release Notes (November 27, 2022)

Supported Python Versions: 3.7, 3.8, 3.9, 3.10, 3.11 Minimal requirements: numpy>=1.19, scipy>=1.6, uncertainties>=3.1.4, asteval>=0.9.28

New features:

  • add Pearson4Model (@lellid; PR #800)
  • add SplineModel (PR #804)
  • add R^2 rsquared statistic to fit outputs and reports for Model fits (Issue #803; PR #810)
  • add calculation of dely for model components of composite models (Issue #761; PR #826)

Bug fixes/enhancements:

  • make sure variable spercent is always defined in params_html_table functions (reported by @MySlientWind; Issue #768, PR #770)
  • always initialize the variables success and covar the MinimizerResult (reported by Marc W. Pound; PR #771)
  • build package following PEP517/PEP518; use pyproject.toml and setup.cfg; leave setup.py for now (PR #777)
  • components used to create a CompositeModel can now have different independent variables (@Julian-Hochhaus; Discussion #787; PR #788)
  • fixed function definition for StepModel(form='linear'), was not consistent with the other ones (@matpompili; PR #794)
  • fixed height factor for Gaussian2dModel, was not correct (@matpompili; PR #795)
  • for covariances with negative diagonal elements, we set the covariance to None (PR #813)
  • fixed linear mode for RectangleModel (@arunpersaud; Issue #815; PR #816)
  • report correct initial values for parameters with bounds (Issue #820; PR #821)
  • allow recalculation of confidence intervals (@jagerber48; PR #798)
  • include 'residual' in JSON output of ModelResult.dumps (@mac01021; PR #830)
  • supports and is tested against Python 3.11; updated minimum required version of SciPy, NumPy, and asteval (PR #832)

Deprecations:

  • remove support for Python 3.6 which reached EOL on 2021-12-23 (PR #790)

Files

lmfit/lmfit-py-1.1.0.zip

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