Contents Menu Expand Light mode Dark mode Auto light/dark, in light mode Auto light/dark, in dark mode Skip to content
Smooth Disorder 1.0.0 documentation
Logo
Smooth Disorder 1.0.0 documentation

Getting started

  • Installation

Background Theory

  • Background Theory

Tutorials

  • Tutorials
    • Allen-Feldman Diffusivity Tutorial
      • 1a_calc_vel_ops.py — Compute Velocity Operators
      • 2a_convergence_serial.py — AF Smearing Convergence Study
      • 2b_save_convergence.py — Save Convergence Summary
      • 2c_plot_convergence.py — Plot Smearing Convergence
      • 3a_tensor_conductivity_save.py — Per-q Conductivity Tensor
      • 3b_tensor_conductivity_save_process.py — Assemble Conductivity Tensors
      • 3c_launch_serial.py — Serial Conductivity Launcher
      • 4a_prepare_inputs_for_dl_fitting.py — Prepare DL Fitting Inputs
    • Bond-Network Entropy Tutorials
      • Notebook 1 — Structure Preparation and Bonding
      • Notebook 2 — Coordination Number Distribution
      • Notebook 3 — H₁ Barcode from the Bond Network
      • Notebook 4 — Bond-Network Entropy
      • 5_BNE_workflow.py — BNE Batch Script
      • Notebook 6 — BNE Growth Rate and Saturation
    • Disorder Linewidth Tutorials
      • Notebook 1 - Disorder linewidth tutorial
      • Notebook 2 - VDOS of crystal and irradiated graphite
      • Notebook 3 - Debye model and theory of spectral functions
      • Notebook 4 - Applying frequency shift due to density change in graphite
      • Notebook 5 - Showcase of influence of disorder on the VDOS, disorder linewidth and mean free path
      • Notebook 6 - Fitting disorder linewidth parameters
      • 7a_workflow_precompute_quantities.py — Precompute Phonon Quantities
      • 7b_fit_dl_parameters.py — Fit L and R Parameters
      • 7c_diffusivity_decomposition.py — Transport Decomposition

Workflows

  • Workflows
    • config.py — Shared Workflow Configuration
    • 1a_BNE_workflow.py — Compute Bond-Network Entropy
    • 1b_BNE_plot.py — Plot BNE Growth Rate
    • 2a_DL_workflow_precompute.py — Precompute Phonon Quantities
    • 2b_DL_fit_params.py — Fit L and R Parameters
    • 2c_DL_diffusivity_decomposition.py — Diffusivity Decomposition

API Reference

  • API Reference
    • smooth_disorder.barcode
    • smooth_disorder.structural
    • smooth_disorder.disorder_linewidth
    • smooth_disorder.vis.interactive

About

  • Citation and Licence
Back to top
View this page
Edit this page

API Reference¶

  • smooth_disorder.barcode
  • smooth_disorder.structural
  • smooth_disorder.disorder_linewidth
  • smooth_disorder.vis.interactive
Next
smooth_disorder.barcode
Previous
2c_DL_diffusivity_decomposition.py — Diffusivity Decomposition
Copyright © 2026, Kamil Iwanowski and Michele Simoncelli
Made with Sphinx and @pradyunsg's Furo