Const Qty & EXT_RESTART

[Rolf David]

I'll try that just in case

I've tried the same with other system, the "restart transition"  is very 
smooth so i deducted there was something wrong with my systems and the 
restart file cannot handle the "exoticity" of the system. But without a 
'faulty' system the transition is like it the same calculation all along 
not a lot divided by restart.

So no problems with CP2K here.


On Friday, March 20, 2015 at 8:24:20 AM UTC+1, Samuel Andermatt wrote:
>
> Could you try to do it without changing the project name? I am not 
> familiar with QM/MM but if any other data is needed for the restart except 
> the run_0-1000.restart file cp2k will probably look for this file under a 
> path that contains the current project name.
>
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