QM/MM image charges

Frank von Horsten xxx.f... at gmail.com
Wed Jul 29 15:09:06 UTC 2015


Dear all,

Is there a way to print out the value of the image charges of a QM/MM 
calculation ( CP2K_INPUT 
<http://manual.cp2k.org/cp2k-2_6-branch/CP2K_INPUT.html> / FORCE_EVAL 
<http://manual.cp2k.org/cp2k-2_6-branch/CP2K_INPUT/FORCE_EVAL.html> / QMMM 
<http://manual.cp2k.org/cp2k-2_6-branch/CP2K_INPUT/FORCE_EVAL/QMMM.html> / 
IMAGE_CHARGE 
<http://manual.cp2k.org/cp2k-2_6-branch/CP2K_INPUT/FORCE_EVAL/QMMM/IMAGE_CHARGE.html>
)?

Thanks!

Frank
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