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Indirect Geometry Changes¶

Table of Contents

New Features ¶

The Bayes Fortran libraries have been moved to a separate quasielasticbayes package. This allows hose on non-Windows platforms to install them with pip: python -m pip install --user quasielasticbayes.
In Inelastic Data Analysis fitting tabs, a button has been added that will unify the fit range for all spectra selected.
VesuvioAnalysis now allows defining constraints for more than two masses using the ConstraintsProfile .

Based on existing options for AnalysisMode in the VesuvioAnalysis algorithm, two new options were introduced to allow reduction and analysis of spectra in the TOF domain without automatically carrying out a Y space analysis afterwards.
Added a validation check to the Apply Absorption Corrections Tab in the Corrections GUI that makes sure the sample workspace and corrections workspaces all have the same number of histograms.
The Indirect Simulation DensityOfStates interface (and corresponding SimulatedDensityOfStates algorithm) can import force constants data from CASTEP or Phonopy calculations, then sample an appropriate q-point mesh on-the-fly to create a phonon DOS. This feature requires the Euphonic library to be installed. This library is included in the Windows package, but for other platforms an installer is provided in the Script Repository.
In Inelastic Data Analysis the Elwin Tab has had its UI updated to be more user friendly.
VesuvioAnalysis excludes back scattering spectra for now to avoid problems with the analysis.
Updated documentation for VesuvioAnalysis.

The Abins Algorithm can also import force constants data from CASTEP or Phonopy calculations, using the Euphonic library. (See above.)
Contour workspaces are now saved when saving in Bayes stretch.
Fixed a bug which prevented workspaces being loaded into the Elwin Tab .
Fixed a bug that caused ISIS Calibration to ignore ScaleFactor if set to 1.0.
Fixed a bug that caused ISIS Calibration to not set valid defaults for certain runs.
Fixed a bug in the Symmetrise algorithm where workspaces in different bin widths would sometimes cause exceptions.
Fixed a bug which caused VesuvioAnalysis to crash when run with a single element.