Welcome to QENSmodels’s documentation!

Contents

• Introduction
• Getting started
  • Install the QENS models
  • Documentation
    • Quick example to use the models
    • Physical units
  • Needing help / Reporting a bug
  • Contributing
  • Referring to the library
  • License

Information on models and units

• Handling of units
  • Introduction
  • Dynamical structure factor
  • Wavector transfer
  • Energy exchange
  • Output units
    • Lorentzian or Gaussian models
    • Self-diffusion coefficient
    • Distance parameters (e.g. jump length or radius)
    • Time parameters
    • Rotational diffusion coefficient
    • Dimensionless parameters
• Tools

Examples

• Introduction
• Summary of the Jupyter notebooks
• Using the jupyter notebooks in a virtual environment
• Short tutorials on Jupyter notebooks
• Brownian Translational diffusion ∗ Resolution with bumps
• Chudley-Elliott diffusion with bumps
• Delta and Lorentzian ∗ Resolution with bumps
• Isotropic Rotational Diffusion ∗ Resolution with bumps
• Water Teixeira ∗ Resolution with bumps
• Jump Translational diffusion ∗ Resolution with bumps
• Delta and two Lorentzian ∗ Resolution with bumps (2 wavelengths)
• Lorentzian + Isotropic Rotational diffusion ∗ Resolution with bumps
• Water Teixeira ∗ Resolution with bumps (2 wavelengths)
• Equivalent sites circle with lmfit
• Gaussian Model 3D with lmfit
• Lorentzian + background with lmfit
• Two Lorentzian ∗ resolution with lmfit
• Water Teixeira ∗ Resolution with lmfit
• Jump sites log norm diffusion with scipy
• Lorentzian with lmfit
• QENS models and Mantid

QENSmodels

• QENSmodels package
  • Submodules
  • QENSmodels.background_polynomials module
    • background_polynomials()
  • QENSmodels.brownian_translational_diffusion module
    • hwhmBrownianTranslationalDiffusion()
    • sqwBrownianTranslationalDiffusion()
  • QENSmodels.chudley_elliott_diffusion module
    • hwhmChudleyElliottDiffusion()
    • sqwChudleyElliottDiffusion()
  • QENSmodels.delta module
    • delta()
  • QENSmodels.delta_lorentz module
    • sqwDeltaLorentz()
  • QENSmodels.delta_two_lorentz module
    • sqwDeltaTwoLorentz()
  • QENSmodels.equivalent_sites_circle module
    • hwhmEquivalentSitesCircle()
    • sqwEquivalentSitesCircle()
  • QENSmodels.gaussian module
    • gaussian()
  • QENSmodels.gaussian_model_3d module
    • hwhmGaussianModel3D()
    • sqwGaussianModel3D()
  • QENSmodels.isotropic_rotational_diffusion module
    • hwhmIsotropicRotationalDiffusion()
    • sqwIsotropicRotationalDiffusion()
  • QENSmodels.jump_sites_log_norm_dist module
    • hwhmJumpSitesLogNormDist()
    • sqwJumpSitesLogNormDist()
  • QENSmodels.jump_translational_diffusion module
    • hwhmJumpTranslationalDiffusion()
    • sqwJumpTranslationalDiffusion()
  • QENSmodels.lorentzian module
    • lorentzian()
  • QENSmodels.water_teixeira module
    • sqwWaterTeixeira()
  • Module contents

Indices and tables

• Index

• Module Index

• Search Page