[lammbs-users] nanocluster simulation (invalide : Pair_style & kspace)

Dear Kang,

if the force field has not specific Mg-Mg Buckingham interactions, I would use the following command:

pair_coeff 1 1 0.0 1.0 0.0

The interaction energy between Mg-Mg pairs due to the Buckingham potential will be zero and only the electrostatics will be present.

HTH
Evangelos

Στις Παρ, 6 Δεκ 2019 στις 12:08 μ.μ., ο/η Science is the solution <kdg4206@…24…> έγραψε: