[Pw_forum] Simulated annealing

[Yonas Abraham]

--- Stefano Baroni ssissa wrote:


> This is not quite "simulated annealing", but rather
> "simulated  
> quenching". Simulated annealing requires a real-time
> control of  
> temperature (not just "on/off") which I do not know
> if it is  
> available in either code, but which should be not so
> difficult to  
> implement, should anyone be interested.
> 
> SB

I think this could be a real use of the "steering"
functionality of espresso. by steering  i mean, change
input parameters on the fly. I am pretty sure that I
have used to change the temperature while the
simulation is running for cp.x

Yonas