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History for src - diffpy/pyobjcryst · GitHub

Commits

History for

Commits on Jun 19, 2026

chore: update pre-commit hook with latest version
stevenhua0320
committed

Commits on Apr 6, 2026

chore: update copyright dates again to match standards
zmx27
committed

Commits on Apr 3, 2026

Commits on Feb 6, 2026

Expose `GetPowderPatternObsSigma` and `SetPowderPatternObsSigma` (#84)

clemisch
and
vincefn
authored

Commits on Aug 5, 2025

remove fallback version
Tieqiong
committed

Commits on Jul 23, 2025

Remove nbstripout from pre-commit config
Tieqiong
committed

Commits on Jul 19, 2025

Commits on Jul 17, 2025

Update build script for skpkg standard
Tieqiong
committed

Commits on Oct 24, 2024

Correct powder pattern plotting with a non-empty name
vincefn
committed

Commits on Oct 17, 2024

Commits on Sep 8, 2024

DiffractionDataSingleCrystal: add SetHklIobs, SetIobs, SetSigma, GetSigma, GetChi2, FitScaleFactorForRw and FitScaleFactorForR. Add a unittest.
vincefn
committed

Commits on Feb 2, 2024

Add python access to MolZAtom
vincefn
committed

Commits on Mar 14, 2023

Release 2.2.6.
vincefn
committed

Commits on Mar 13, 2023

Fix pyobjcryst for windows with (c)python>=3.8. Fixes #33 .
vincefn
committed

Commits on Mar 3, 2023

Handle matplotlib >=3.7.0 when removing hkl labels
vincefn
committed

Commits on Dec 7, 2022

Add UnitCell.ChangeSpaceGroup()
vincefn
committed

Commits on Nov 22, 2022

Avoid duplication of plots when using ipympl
vincefn
committed

Commits on Nov 6, 2022

Commits on Nov 5, 2022

Allow to increase verbosity of test. Correct powder pattern tests to avoid uninitialised observed data which gives warnings in valgrind
vincefn
committed

Commits on Nov 3, 2022

Update ScatteringData extension so it works with libobjcryst 2022.1.3, allowing the automatic update of the reflection list in a PowderPatternDiffraction when the spacegroup or a lattice parameter …
vincefn
committed

Commits on Oct 30, 2022

Update powder pattern indexing test. Fixes #35
vincefn
committed

Commits on Sep 25, 2022

Merge remote-tracking branch 'vincefn/master' into windows
vincefn
committed

Commits on Sep 11, 2022

Fixes for Fourier map calculations
vincefn
committed

Commits on Sep 4, 2022

Update build configuration for windows (visual studio) & associated code fixes.
vincefn
committed

Commits on Aug 28, 2022

Add Fourier maps calculation. Add gDiffractionDataSingleCrystalRegistry to globals.
vincefn
committed

Commits on Aug 21, 2022

Add correct wrapping for C++-instantiated objects available through global registries, e.g. when loading an XML file. The objects are decorated with the python functions when accessed through the g…
vincefn
committed

Commits on Aug 19, 2022

PowderPattern: avoid NaN warning for arcsin calculation. Use matplotlib's axes text.clear() (setting to [] is not possible with matplotlib>=3.5)
vincefn
committed

Commits on Dec 21, 2021