A C++ implementation of a propagator for the Nose-Hoover chains thermostat. The thermostat itself is described in the following papers:
The algorithms are from:
J. Phys. A: Math. Gen. 39 p.5629 (2006); DOI: 10.1088/0305-4470/39/19/S18 "A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal--isobaric ensemble" Mark E Tuckerman, José Alejandre, Roberto López-Rendón, Andrea L Jochim and Glenn J Martyna
An example barostat implementation is also provided.