ilya ily... at
Thu Dec 4 10:25:02 UTC 2008

Dear all!

I am trying to figure out how CP2K_INPUT / MOTION / CONSTRAINT /
COLLECTIVE works. I have several questions.

- If i do not specify TARGET value is it set to the value from initial
coordinates? I am asking because i observe a slow change during
geo_opt (TARGET_GROWTH is default (0.0)).

- How does TARGET_GROWTH works. Is it an inc per GEO_OPT step from
initial value to target? Or it is the grows of TARGET value? If so
when does the target increments (after completing optimization for
current target??)

Thanks in advance.


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