Bond cutoff length RMIN depends on radii of particles

Submitted by venkatkrisshna on Wed, 06/22/2022 - 17:47

Hello, I am using LIGGGHTS-WITH-BONDS and I would like to set my bond cutoff length as
cutoff = (R1 + R2) + G*(R1 + R2)
where R1 and R2 are the radii of the two particles and G is a value defined by me. How can I implement this into the line
fix bondcr all bond/create/gran 1 1 1 cutoff 1 26

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venkatkrisshna | Wed, 07/06/2022 - 00:44

I think I figured it out. In case others have this question, the best way (I think) to do it is to change the cutoff criterion in the code in line 400 of fix_bond_create_gran.cpp

double cutoffsq = 0.0;
double G = 0.24;
cutoffsq= (radius[i]+radius[j])*(1.0 + G)*(radius[i]+radius[j])*(1. + G);
if (rsq >= cutoffsq) continue;