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freud 2.13.0 documentation
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Getting Started

  • Introduction
  • Installation
  • Quickstart Guide
  • Tutorial
    • Periodic Boundary Conditions
    • Compute Classes
    • Finding Neighbors
    • Pair Computations
  • Examples
    • freud.box.Box
    • freud.locality.Filter
    • freud.locality.PeriodicBuffer: Unit Cell RDF
    • freud.locality.Voronoi
    • freud.cluster.Cluster and freud.cluster.ClusterProperties
    • freud.density.CorrelationFunction
    • freud.density.GaussianDensity
    • freud.density.LocalDensity
    • freud.density.RDF: Accumulating g(r) for a Fluid
    • freud.density.RDF: Choosing Bin Widths
    • freud.diffraction.DiffractionPattern
    • freud.diffraction.StaticStructureFactorDirect and freud.diffraction.StaticStructureFactorDebye
    • freud.environment.AngularSeparation
    • freud.environment.BondOrder
    • freud.environment.EnvironmentCluster
    • freud.environment.LocalDescriptors: Steinhardt Order Parameters from Scratch
    • freud.interface.Interface
    • freud.order.Hexatic: Hard Hexagons
    • freud.order.Hexatic: 2D Minkowski Structure Metrics
    • freud.order.Nematic
    • freud.order.Steinhardt
    • freud.pmft.PMFTXY
    • freud.pmft.PMFTXYZ: Shifting Example
    • Implementing Common Neighbor Analysis as a custom method
    • Analyzing simulation data from HOOMD-blue at runtime
    • Analyzing GROMACS data with freud and MDTraj: Computing an RDF for Water
    • Analyzing data from LAMMPS
    • Using Machine Learning for Structural Identification
    • Handling Multiple Particle Types (A-B Bonds)
    • Calculating the Radial Distribution Function (RDF) from Simulation Data
    • Calculating Strain via Voxelization
    • Visualizing analyses with fresnel
    • Visualization with plato
    • Visualizing 3D Voronoi and Voxelization
    • Benchmarking Neighbor Finding against scipy
    • Benchmarking RDF against MDAnalysis

Topic Guides

  • Query API
  • Using freud Efficiently
  • Reading Simulation Data for freud

API

  • Box Module
  • Cluster Module
  • Data Module
  • Density Module
  • Diffraction Module
  • Environment Module
  • Interface Module
  • Locality Module
  • MSD Module
  • Order Module
  • Parallel Module
  • PMFT Module

Reference

  • Development Guide
    • Design Principles
    • Contributing to freud
    • Special Topics
      • Memory Management
      • Neighbor Finding
      • Histograms
    • Making freud Releases
  • How to cite freud
  • References
  • License
  • Credits
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Development of freud is led by the Glotzer Group at the University of Michigan (supported by NSF DMR 1808342) with many external contributions.

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