ily... at gmail.com
Thu Dec 4 10:25:02 UTC 2008
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
Thanks in advance.
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