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[lammps-users] special_bonds apply to Tersoff pair style
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[lammps-users] special_bonds apply to Tersoff pair style

From: Jibao Lu <jibaolu2012@...24...>
Date: Wed, 20 Dec 2017 21:55:33 +0800

Dear Sir/Madam,

I found that the weighting factors set by special_bonds ARE used by the pair style Tersoff, which compute many-body interactions. 
For example, for a system that uses Tersoff for a structure with lists of bonds, angles, dihedrals (for debuging purpose, the bonded interactions are set to zero by settin K = 0.0), seting "special_bonds lj 0.0 0.0 0.5 coul 0.0 0.0 0.5" will apply the factor 0.0 to the Tersoff interactions; If setting ""special_bonds lj 1.0 1.0 1.0 coul 1.0 1.0 1.0", the Tersoff interactions are calculated as if for the same structure but without list of bonds, angles, and dihedrals. 

Could you please check for that? Thank you!

I'm using lammps-11Aug17.

Best regards,