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Published March 26, 2018 | Version v0.9.9

NCrystal 0.9.9

  • 1. European Spallation Source ERIC
  • 2. Technical University of Denmark

Description

  • Atomic positions and mean-squared-displacement parameters are now optionally available in Info objects (for now, they are filled when using .ncmat files only).
  • Expose loadNCMAT function to client C++ code, making it possible to work with .ncmat files completely independent from the factory infrastructure.
  • Rename standard factories to stdnxs, stdncmat, stdlaz, stdscat and stdabs respectively and allow factory-specific parameters to be passed along to info factories. Thus, expandhkl which was until now a global NCMatCfg parameter, is now a parameter specific to the .ncmat factory. It can be set using a cfg like: "infofact=stdncmat:expandhkl".
  • For .nxs files running with "bkgd=external" will now result in background curves from nxslib which fully correspond to those in NXSG4 (except for a few cases such as with mono-/tri-clinic crystals where that nxslib version crashed, but the version in NCrystal was patched). For comparison studies, it is now possible to select a bkgd curve exactly like the one seen in Sample_nxs.comp with McStas by the configuration "bkgd=external;infofact=stdnxs:mcstaslikebkgd".
  • Other changes: Cleanup internal .ncmat loading code splitting out fillHKL to a new utility file, rename NonOrientedScatter to IsotropicScatter and fix compilation error in NCRCBase.hh seen with some compilers.

Files

mctools/ncrystal-v0.9.9.zip

Files (334.5 kB)

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Additional details

Related works

Funding

European Commission
BrightnESS - Building a research infrastructure and synergies for highest scientific impact on ESS 676548