[CP2K-user] [CP2K:18930] Multiple non-bonded forces for atom pairs in FIST

[Rajorshi Chattopadhyay]

Hello all,

I am trying to run simulations with a new potential which is not available
in Cp2k FIST. This potential is very similar to the BMHFT/BMHFTD potentials
in FIST, except that this has 2 exponential repulsive walls instead of 1.
Can this be done by creating two different &BMHFT code blocks for each atom
pair where the first repulsive wall and dispersion terms are put in the
first block and the second repulsive wall is put in the second block ? Will
the second block override the first block ?

I thank you in advance for your help/suggestions.

-- 
With Regards,
Rajorshi Chattopadhyay,
PhD Researcher in Mineralogy/Crystallography,
Institut für Geologie und Mineralogie,
Universität zu Köln, Germany

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