temperature boolean temp
boolean= t or f
t is true f is false
temp= non-negative real number
temperature t 10. temperature t 300.
This command sets whether the temperature is kept a constant in the system (
boolean) for the dynamic and hybrid CAC simulations; and if yes, what is the desired temperature in K (
A constant zero temperature is maintained in the system only when
dyn_style = ld or qd, i.e., Langevin dynamics or quenched dynamics. Note that in this case, the equation of motion for the Langevin dynamics reduces to that for the damped dynamics.
In quasi-static simulations,
boolean must be f and the temperature, which is effectively 0 K, is irrelevant.
boolean = t and
dyn_style = vv, the user will get a warning message and the temperature
temp becomes irrelevant, because the Velocity Verlet option cannot maintain a constant temperature.
temperature t 10.