GLE Input generator

This page is designed to generate (or pick from a library) a set of parameters for a generalized Langevin equation, consistent with the kind of simulation and the system chosen. Options that are highlighted in red in the drop-down boxes are to be considered experimental, and it is recommended that the authors of the relevant papers are contacted before using them in a production run.

It will also output the parameters in a format such that they are ready to be used in the input of one of the MD codes which officially implement the GLE thermostat (currently, LAMMPS CP2K, CPMD and FHI-AIMS).