6.1

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Direct Inelastic Changes

Performance

Several system tests for the Direct Inelastic technique area are reporting significant improvements in speed. These are the result of some core framework changes. See Framework notes for more information.

Algorithms

New

  • CreateEPP: generate EPP tables compatible with FindEPP directly from instrument geometry.

Improved

  • LoadILLTof now loads the monitor spectra last making the spectrum numbers and detectors IDs match.
  • In CorrectTOFAxis, the sample to detector distance can now be directly given using the new L2 property.
  • DPDFReduction now detects \(\theta^*\) such that \(\langle S(\theta^*,E) \rangle_E \ll \langle S(\theta,E) \rangle_{\theta,E}\)

Deprecated

  • The already deprecated version 1 of LoadILLTOF has been removed completely. Use LoadILLTOF version 2 instead.

Crystal Field

  • Now accepts arbitrary J (or S - angular momentum quantum number, determining the basis states) values with the syntax: Ion=S<n> or Ion=J<n> where <n> is an integer or half integer.
  • Crystal field parameters from a point charge model can now be calculated using the PointCharge class, from a defined crystal structure or CIF file. See the Crystal Field Python Interface for details of the syntax.

Full list of changes on GitHub