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.
dynasor and its development are hosted on gitlab. Bugs and feature requests are ideally submitted via the gitlab issue tracker. The development team can also be reached by email via firstname.lastname@example.org.
- Getting started
- Theoretical background
- Command line interface
- Python interface
- Some implementation details
dynasor has been developed at Chalmers University of Technology in Gothenburg, Sweden, in the Materials and Surface Theory division at the Department of Physics.