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Table of Contents
CASTEP .phonon
file import for the Density Of States interface and SimulatedDensityOfStates algorithm. The bug was causing some q-points to be misidentified as duplicate Gamma-points and removed.ISISCalibration
in the Indirect Data Reduction interface. The first bug caused the resolution data to not be updated when the reflection was changed. The second bug sometimes caused a bad energy range selection for the resolution data.Autoconvolution
option, which now results in the expected high-frequency wing
.Forward
and Backward
detector settings for TOSCA, which were reversed from their conventional definition. The default behaviour has not changed: results will only be affected for calculations which explicitly selected the Forward (TOSCA)
or Backward (TOSCA)
options.