massive QMMM output file and system setup
Rolf David
rolf.d... at gmail.com
Mon Aug 1 07:53:03 UTC 2016
Hi,
for the first question, it is the print level which is Medium by default.
For runs with many steps, add the following into &GLOBAL
PRINT_LEVEL LOW
(https://manual.cp2k.org/trunk/CP2K_INPUT/GLOBAL.html#PRINT_LEVEL)
By default, if i'm correct, it's all periodic.
For the whole part CELL, defined by the PERIODIC
keyword https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/SUBSYS/CELL.html
And the QM CELL, it's is the same:
https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/QMMM/CELL.html
So by default you have periodicity.
Kind regards,
Rolf
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