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Releases: CPrescher/Glassure

Glassure 1.4.5

20 Jun 08:35
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Bugfixes

  • fixes an issue which caused glassure not to start with some pyqt6 versions

Glassure 1.4.4

14 Nov 16:40
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Bugfixes

  • subtraction and addition of patterns work now correctly when both have different x values

Glassure 1.4.3

02 Nov 13:47
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1.4.3 (2023/11/02)

Bugfixes

  • fix recursion error due to recent extrapolation gui changes

Glassure 1.4.2

31 Oct 06:59
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Bug fixes:

  • not specifically dependent on pyside anymore, glassure should now also work with pyqt6, pyqt5 or pyside2, default
    is still pyside6

Glassure 1.4.1

27 Oct 15:44
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Bug fixes:

  • fix error with s0 auto calculation when using brown hubbell form factors.
  • fix python compatibility for 3.9 and 3.10

Glassure 1.3.0

26 Apr 11:47
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New features:

  • changed to pyqt 6 which should reduce issues with high dpi screens
  • added support for brown et al. 2006 scattering factors (from international tables of crystallography) and
    Hubbell et al. 1975 compton scattering intensities

Glassure 1.0.0

01 Sep 07:36
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Everything is working now, except for the density optimization.

The key new features, are the usage of different configurations in order to be able to compare different parameter sets.