Releases: CPrescher/Glassure
Releases · CPrescher/Glassure
Glassure 1.4.5
Glassure 1.4.4
Bugfixes
- subtraction and addition of patterns work now correctly when both have different x values
Glassure 1.4.3
1.4.3 (2023/11/02)
Bugfixes
- fix recursion error due to recent extrapolation gui changes
Glassure 1.4.2
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
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
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
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.