High Efficiency Configuration Space Sampler
copied from cf-staging / hecssHECSS is a Markow chain Monte-Carlo, configuration space sampler using Metropolis-Hastings algorithm for probablity distribution sampling. It provides an alternative way to create representations of systems at thermal equilibrium without running a very expensive molecular dynamics simulation. The theoretical foundation of the code are presented in the section Background in the Documentation. More detailed examples are included in the LAMMPS and VASP tutorials.
