Powerful, efficient particle trajectory analysis in scientific Python.
conda install -c conda-forge freud
conda install -c conda-forge/label/gcc7 freud
conda install -c conda-forge/label/cf201901 freud
conda install -c conda-forge/label/cf202003 freud
The freud Python library provides a simple, flexible, powerful set of tools for analyzing trajectories obtained from molecular dynamics or Monte Carlo simulations. High performance, parallelized C++ is used to compute standard tools such as radial distribution functions, correlation functions, order parameters, and clusters, as well as original analysis methods including potentials of mean force and torque (PMFTs) and local environment matching. The freud library uses NumPy arrays for input and output, enabling integration with the scientific Python ecosystem for many typical materials science workflows.