lmfit/lmfit-py: 1.0.3

Citations Over Time

Abstract

Version 1.0.3 Release Notes (October 14, 2021) Potentially breaking change: argument x is now required for the guess method of Models (Issue #747; PR #748) To get reasonable estimates for starting values one should always supply both x and y values; in some cases it would work when only providing data (i.e., y-values). With the change above, x is now required in the guess method call, so scripts might need to be updated to explicitly supply x. Bug fixes/enhancements: do not overwrite user-specified figure titles in Model.plot() functions and allow setting with title keyword argument (PR #711) preserve Parameters subclass in deepcopy (@jenshnielsen; PR #719) coerce data and indepdent_vars to NumPy array with dtype=float64 or dtype=complex128 where applicable (Issues #723 and #728) fix collision between parameter names in built-in models and user-specified parameters (Issue #710 and PR #732) correct error message in PolynomialModel (@kremeyer; PR #737) improved handling of altered JSON data (Issue #739; PR #740, reported by Matthew Giammar) map max_nfev to maxiter when using differential_evolution (PR #749, reported by Olivier B.) correct use of noise versus experimental uncertainty in the documentation (PR #751, reported by Andrés Zelcer) specify return type of eval method more precisely and allow for plotting of (Complex)ConstantModel by coercing their float, int, or complex return value to a numpy.ndarray (Issue #684 and PR #754) fix dho (Damped Harmonic Oscillator) lineshape (PR #755; @rayosborn) reset Minimizer._abort to False before starting a new fit (Issue #756 and PR #757; @azelcer) fix typo in guess_from_peak2d (@ivan-usovl; PR #758) Various: update asteval dependency to >= 0.9.22 to avoid DeprecationWarnings from NumPy v1.20.0 (PR #707) remove incorrectly spelled DonaichModel and donaich lineshape, deprecated in version 1.0.1 (PR #707) remove occurrences of OrderedDict throughout the code; dict is order-preserving since Python 3.6 (PR #713) update the contributing instructions (PR #718; @martin-majlis) (again) defer import of matplotlib to when it is needed (@zobristnicholas; PR #721) fix description of name argument in Parameters.add (@kristianmeyerr; PR #725) update dependencies, make sure a functional development environment is installed on Windows (Issue #712) use setuptools_scm for version info instead of versioneer (PR #729) transition to using f-strings (PR #730) mark test_manypeaks_speed.py as flaky to avoid intermittent test failures (repeat up to 5 times; PR #745) update scipy dependency to >= 1.14.0 (PR #751) improvement to output of examples in sphinx-gallery and use higher resolution figures (PR #753) remove deprecated functions lmfit.printfuncs.report_errors and asteval argument in Parameters class (PR #759)

Related Papers

• → Formation of mixed ligand complexes of cobalt(II) with chloride and substituted pyridines in 1,2-dichloroethane(1981)18 cited
• → Formation of Mixed-ligand Complexes of Cobalt(II) with Bromide and Substituted Pyridines in 1,2-Dibromoethane(1982)10 cited
• → py4dstem/py4DSTEM: DOI release(2019)8 cited
• → Studies on utilization of petroleum grown yeast for feed(1970)
• → ChemInform Abstract: PREPARATION OF DIHALOPENTATHIODIPHOSPHATES FROM PY2.P2S5 (PY = PYRIDINE)(1982)