A tool for calculating dynamical structure factors

Installers

Info: This package contains files in non-standard labels.

conda install

  • linux-64  v1.0
  • osx-64  v1.0
To install this package with conda run one of the following:
conda install -c conda-forge dynasor
conda install -c conda-forge/label/cf202003 dynasor

Description

dynasor is a simple tool for calculating total and partial dynamical structure factors as well as current correlation functions from molecular dynamics (MD) simulations. The main input consists of a trajectory output from a MD simulation, i.e., a file containing snapshots of the particle coordinates and optionally velocities that correspond to consecutive, equally spaced points in (simulation) time.


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