Energy difference across different versions of cp2k

[Florian Schiffmann]

Hi Samuel,

as always attaching your input file makes things easier to check... I am 
just guessing but there have been a change in some defaults, e.g. 
REL_CUTOFF in MGRID which can cause such a change. Could you do a diff on 
the settings part of your output file and check what else might have 
changed.
What happens if you use the .restart file from the different versions? Most 
default values are explicitly set there.

Flo
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