The equation of motion which Nose proposed is the form:
dp/dt = F–ξp
ξ means a friction term, and it governed by:
dξ/dt = (1/Q)*[(p*p/2m)-(gkT)]
Q = gkT/(τ*τ)
Q and τ refers to "thermal inertia" and "relaxation time" respectively. g is the degree of freedom.
My problems are:
1. Does the Nose-Hoover thermostat in LAMMPS's code write by the above formula?
2. Does τ set from "fix 1 all nvt temp T_start T_stop T_damp"?
Thanks very much!
Linesa Liu