[CP2K-user] precision definition in cp2k

Alfio Lazzaro alfio.... at gmail.com
Fri May 17 14:08:57 UTC 2019

I'm not sure, but I think what CP2K users is the equivalent representation 
of the Fortran 77...


Il giorno venerdì 17 maggio 2019 15:40:12 UTC+2, Wei Lai ha scritto:
> Dear cp2k developers,
> I have a couple of questions regarding the precision definition in cp2k.
> 1) I could see that the double precision is defined as 
> SELECTED_REAL_KIND(14, 200) in base/kinds.F.  I am wondering why a decimal 
> digit of 14 instead of 15 was used?  Could I switch to (15,307)?
> 2) I am wondering where single precision is used.  It seems that single 
> precision types were defined but double precision was the default.  So by 
> default all cp2k is double precision?
> Thanks, Wei
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