A set of algorithms described in [1] are implemented for estimating the structural and transport properties as from molecular dynamics simulations using Lucretius code [2].

References

[1] C. J. F. Solano, S. Jeremias, E. Paillard, D. Beljonne and R. Lazzaroni, J. Chem. Phys. 139, 034502 (2013).
[2] C. Ayyagari, D. Bredov, O. Borodin and G. D. Smith, Lucretius, MD simulation code.