/tools/freud

freud

glotzerlab/freud

315 stars52 forksC++WebsiteAdded February 4, 2026
summary

freud is a Python library that provides powerful tools for analyzing particle trajectories from molecular dynamics and Monte Carlo simulations. It includes features for computing various analysis metrics such as radial distribution functions and potentials of mean force, facilitating research in materials science and computational chemistry.

description

Powerful, efficient particle trajectory analysis in scientific Python.

topics

molecular-dynamicsanalysisscientific-computingpythonmonte-carlo-simulationdata-analysisspatial-analysisparticle-systemcomputational-chemistrycomputational-physicsscience

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