simulated annealing using CP2K
MattWa... at gmail.com
Wed Jul 15 10:46:33 CEST 2015
There is an ANNEALING variable in the MD section. My understanding is that
at each step velocities would be rescaled by this factor (I've never used
On Wednesday, July 15, 2015 at 9:41:57 AM UTC+1, Samuel Andermatt wrote:
> I don't think you can change the temperature over the course of a
> simulation, you will have to do multiple runs, one for each temperature.
> Fixed cell you have by choosing the NVT ensamble.
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