[CP2K:8408] Lennard-jones wall

hut... at chem.uzh.ch hut... at chem.uzh.ch
Wed Nov 16 15:17:51 CET 2016


have a look into


for a list of available interaction potentials. You might be
able to get your specific choice through the QUIP library or
you 'program' it using the GENPOT option.


Juerg Hutter
Juerg Hutter                         Phone : ++41 44 635 4491
Institut für Chemie C                FAX   : ++41 44 635 6838
Universität Zürich                   E-mail: hut... at chem.uzh.ch
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland

-----cp... at googlegroups.com wrote: -----To: cp2k <cp... at googlegroups.com>
From: SaeeD PourasaD 
Sent by: cp... at googlegroups.com
Date: 11/16/2016 12:02PM
Subject: [CP2K:8408] Lennard-jones wall

Dear CP2K users , 
I want to do MD simulation by CP2K and I want to use Lennard-jones 9-3 wall in my system .I was wondering if CP2K has this possibility or not ( lj 9-3 wall )  ? 
I will be grateful if you can help me about that.


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