\(\renewcommand\AA{\unicode{x212B}}\)

Indirect Geometry Changes

New Features

  • VesuvioPeakPrediction v1 now supports a Classical option. It is used to estimate the lower bounds of the width of the Neutron Compton Profiles when running analysis routines.

  • ISIS Energy Transfer tab now supports an output label that is appended to the output name and doesn’t override previous outputs.

Algorithms

New features

  • The Atoms field of Abins v1 and Abins2D v1 algorithms has been enhanced to support more kinds of input. Individual atoms may still be selected with e.g. atom1 or atom_1, but 1 is now also a valid input to select the first atom. In addition, ranges can be specified as e.g. 2-4 or 2..4. This makes the user input more concise, but will still create individual workspaces for atoms 2, 3, and 4.

  • A CacheDirectory parameter has been added to the Abins v1 and Abins2D v1 algorithms. This allows an explicit cache directory to be set independently for each calculation; the previous behaviour (to use the User Save Directory) remains available as the default value.

Release 6.13.0