Version 2 (modified by butler, 6 years ago) (diff)

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Sasmodels Enhancement Discussion

  • From Roadmap
    • reparametrization of models -
      • What types: simple (e.g. sld → solvent fractions), complex (e.g. molecular constraints), other?
      • How to implement (using categories, on the fly change, constrained fit special workflows, other?)
      • Resources - when?
    • Inclusion of more complex structure factors
      • Locally Monodisperse approximation, others
      • Structure factors that include the form factor directly
      • How/who? resources?
    • scatter 2D modeling of crystal structures
    • 1D oriented data (i.e. 1D cuts through anisotropic data)
      • Do we bother?
      • How: separate function in model file (e.g. Iqxy1D), calculate in 2D and slice (e.g. use existing models and add infrastructure), other?
      • How/who?
  • New item
    • Computational speeds - exploring integration options
      • Options (golden vectors, adaptive, other?, combos?)
      • Precision with single precision and compatibility with openCL
      • Do we punt again? who/how resources?
    • Optimizer benchmarking
      • Project description
      • Use cases covering broad base of different types of problems