SimulationAnalysis.jl

SimulationAnalysis.jl is a Julia package for analyzing molecular dynamics simulations.

Features

  • Load simulation data from various formats.
  • Calculate various observables, such as:
    • Radial distribution function
    • Mean squared displacement
    • Intermediate scattering function
    • Structure factor
    • and more.

Documentation

  • API Reference: Detailed information about all public functions and types.
  • Tutorial: A step-by-step guide to using the package.
  • Examples: A collection of examples showcasing different features.