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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