It would be cool to be able to vary the ensemble temperature while the simulation is running to dynamically simulate phase transitions. It's important to do this in a way that doesn't introduce too many numerical artefacts due to the thermostat (e.g. large temperature oscillations). Need to find the most physically realistic way to do this, which could involve "ramping" the NH thermostat over time. Relevant documentation: https://docs.lammps.org/fix_nh.html and https://docs.lammps.org/fix_nvt_sllod.html.
It would be cool to be able to vary the ensemble temperature while the simulation is running to dynamically simulate phase transitions. It's important to do this in a way that doesn't introduce too many numerical artefacts due to the thermostat (e.g. large temperature oscillations). Need to find the most physically realistic way to do this, which could involve "ramping" the NH thermostat over time. Relevant documentation: https://docs.lammps.org/fix_nh.html and https://docs.lammps.org/fix_nvt_sllod.html.