print induced dipole in classical MD
jianbia... at gmail.com
jianbia... at gmail.com
Wed Sep 11 00:50:29 UTC 2013
Dear all,
The POL_SCF keyword in "CP2K_INPUT / FORCE_EVAL / MM / POISSON / EWALD /
MULTIPOLES" section specifies the method to obtain self consistent induced
multipole moments. My question is whether it's possible to print the
induced dipole moments. I cannot find corresponding keywords. Any
suggestions would be appreciated.
Best regards
Jian-Biao Liu
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