Issues

• bug: symmetry constraints fail silently for mismatched choice of origin

  diffpy/diffpy.srfit#213 · Filter by author ycexiao opened on Sep 8, 2026

• chore: CI badge fix

  diffpy/diffpy.srfit#212 · Filter by author stevenhua0320 opened on Aug 24, 2026

• refactor: small interface and style improvements for constraint handling

  diffpy/diffpy.srfit#211 · Filter by author ycexiao opened on Aug 24, 2026
  12

• move diffpy.srfit.sas to diffpy.cmisas.sas in a different repository

  diffpy/diffpy.srfit#210 · Filter by author sbillinge opened on Aug 15, 2026

• Ready for 3.3.0 PyPI/GitHub release

  diffpy/diffpy.srfit#180 · Filter by author cadenmyers13 opened on Apr 29, 2026 · 3.3.0
  1

• feat: create FitRecipe methods that save and load the recipe object as a pickle file

  diffpy/diffpy.srfit#163 · Filter by author cadenmyers13 opened on Feb 25, 2026 · 3.4.0

• bug: getBounds and getBounds2 in FitRecipe both return defaults even when bounds are set

  diffpy/diffpy.srfit#158 · Filter by author cadenmyers13 opened on Feb 22, 2026 · 3.4.0
  1

• Remove diffpy.utils from conda.txt and pip.txt when support for Python 3.12 is removed

  diffpy/diffpy.srfit#141 · Filter by author cadenmyers13 opened on Dec 12, 2025 · 3.4.0
  4

• chore: replace the call to setScatteringFactorTableByType

  diffpy/diffpy.srfit#137 · Filter by author zmx27 opened on Dec 2, 2025 · 3.4.0

• Output the Debye equation (reciprocal space) information in debyepdfgenerator.py

  diffpy/diffpy.srfit#135 · Filter by author Sparks29032 opened on Aug 22, 2025 · 3.4.0

• test with SAS when sasview is ready for Python >3.11

  diffpy/diffpy.srfit#127 · Filter by author sbillinge opened on Aug 2, 2025 · 3.4.0
  6

• Sasmodel not supporting numpy 2.x, re-check when available

  diffpy/diffpy.srfit#100 · Filter by author bobleesj opened on Nov 19, 2024 · 3.4.0
  13

• automatically removing ionization information from cif element information

  diffpy/diffpy.srfit#53 · Filter by author sbillinge opened on Jan 5, 2019 · 3.4.0
  2

• Calculate powder diffraction pattern of a material with stacking disorder

  diffpy/diffpy.srfit#52 · Filter by author rjkoch-zz opened on Nov 8, 2018 · 3.4.0
  1

• Have constrainAsSpaceGroup handle site occupancies

  diffpy/diffpy.srfit#50 · Filter by author sbanerjee23 opened on Jun 20, 2018 · 3.4.0

• constrainAsSpaceGroup result needs iteration

  diffpy/diffpy.srfit#47 · Filter by author pavoljuhas opened on Feb 23, 2018 · 3.4.0

• Improve FitResults

  diffpy/diffpy.srfit#46 · Filter by author pavoljuhas opened on Dec 13, 2017 · 3.4.0
  1

• add function for approximate error estimate in PDF fit

  diffpy/diffpy.srfit#45 · Filter by author pavoljuhas opened on Dec 13, 2017 · 3.4.0
  5

• add utility for evaluating phase ratios in PDFContribution

  diffpy/diffpy.srfit#44 · Filter by author pavoljuhas opened on Dec 13, 2017

• Memory leak in PDFGenerator.parallel

  diffpy/diffpy.srfit#43 · Filter by author pavoljuhas opened on Dec 7, 2017 · 3.4.0
  1

• RecipeOrganizer.show() fails when objcryst restraints are defined

  diffpy/diffpy.srfit#24 · Filter by author pavoljuhas opened on Jan 13, 2017 · 3.4.0
  1

• restraints do not apply when defined after FitRecipe

  diffpy/diffpy.srfit#23 · Filter by author pavoljuhas opened on Jan 13, 2017 · 3.4.0
  4

• ENH: add airspeed velocity

  diffpy/diffpy.srfit#21 · Filter by author CJ-Wright opened on Nov 19, 2016 · 3.4.0

• Create Profile in FitContribution initialization

  enhancement
  diffpy/diffpy.srfit#18 · Filter by author pavoljuhas opened on Sep 2, 2016 · 3.4.0