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Published July 8, 2023 | Version 1.2.2rc1
Software Open

lmfit/lmfit-py: 1.2.2rc1

Authors/Creators

  • 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. Amazon Web Services, Center for Quantum Networking

Description

Version 1.2.2 Release Notes (July 14, 2023)

New features:

  • add ModelResult.uvars output to a ModelResult after a successful fit that contains ufloats from the uncertainties package which can be used for downstream calculations that propagate the uncertainties (and correlations) of the variable Parameters. (PR #888)

  • Outputs of residual functions, including Model._residual, are more explicitly coerced to 1d-arrays of dataype Float64. This decreases the expectation for the user-supplied code to return ndarrays, and increases the tolerance for more "array-like" objects or ndarrays that are not Float64 or 1-dimensional. (PR #899)

  • Model.fit now takes a coerce_farray option, defaulting to True to control whether to input data and independent variables that are "array-like" are coerced to ndarrays of datatype Float64 or Complex128. If set to False then independent data that "array-like" (pandas.Series, int32 arrays, etc) will be sent to the model function unaltered. The user may then use other features of these objects, but may also need to explicitly coerce the datatype of the result the change described above about coercing the result causes problems. (Discussion #873; PR #899)

Bug fixes/enhancements:

  • fixed bug in Model.make_params() for non-composite models that use a prefix (Discussion #892; Issue #893; PR #895)

  • fixed bug with aborted fits for several methods having incorrect or invalid fit statistics. (Discussion #894; Issue #896; PR #897)

  • Model.eval_uncertainty now correctly calculates complex (real/imaginary pairs) uncertainties for Models that generate complex results. (Issue #900; PR #901)

  • Model.eval now returns and array-like value. This adds to the coercion features above and fixes a bug for composite models that return lists (Issue #875; PR #901)

  • the HTML representation for a ModelResult or MinimizerResult are improved, and create fewer entries in the Table of Contents for Jupyter lab. (Issue #884; PR #883; PR #902)

Files

lmfit/lmfit-py-1.2.2rc1.zip

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Additional details

Related works

Is supplement to
https://github.com/lmfit/lmfit-py/tree/1.2.2rc1 (URL)