Interaction energy for DLVO potential

Submitted by saad2311 on Wed, 09/18/2019 - 16:46

Hello everyone !

I have adapted "pair_style_colloid" and "pair_style_yukawa/colloid" from LAMMPS into LIGGGHTS (v3.8.0). The implementation works fine. I just want to know is it possible or does LIGGGHTS also calculates the interaction energy ?

I have gone through LIGGGHTS documentation and found some hints like using compute group/group command,
https://www.cfdem.com/media/DEM/docu/compute_group_group.html

I'm having difficulties, as I intend to calculate interaction energy between two particles (e.g. particle id 78 and 79). I intend to plot the classic DLVO interaction graph (energy vs. distance profiles)

best regards
Saad
P.S. Attached figure source; Israelachvili, Jacob N., Intermolecular and surface Forces, 3rd Edition, ISBN 978-0-12-391927-4 (2011)

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Image icon DLVO Potential37.59 KB