Dear Lammps users,
I was wondering if there is kind of thermostat in lammps which takes the vibration of bonds into account? ( where we use reactive forcefields)
Regards
Simin
If you mean a thermostat that explicitly alters a bond vibration
degree of freedom, then no. All the thermostats work on
individual atom velocities. However that will typically
partition energy correctly between atomic motion and
bond vibration, e.g. for a harmonic bond.
Steve