dynasor

dynasor - Correlations for everyone. dynasor is a tool for calculating total and partial dynamical structure factors from molecular dynamics (MD) simulations. The main input consists of a trajectory from a MD simulation, i.e., a file containing snapshots of the particle coordinates, and optionally velocities that correspond to consecutively and equally spaced points in (simulation) time.

Keywords for this software

Anything in here will be replaced on browsers that support the canvas element


References in zbMATH (referenced in 1 article )

Showing result 1 of 1.
Sorted by year (citations)

  1. Fredrik Eriksson, Erik Fransson, Paul Erhart: The hiphive package for the extraction of high-order force constants by machine learning (2018) arXiv