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One more bug in pair_granular.cpp, where JKR cutoff was incorrectly computed. Thanks to Ishan Srivastava for finding this one

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Dan S. Bolintineanu
2019-04-23 22:58:42 -06:00
parent 0673f6f2b9
commit 6088f2a6a2
1 changed files with 1 additions and 1 deletions
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src/GRANULAR/pair_granular.cpp
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@ -1728,7 +1728,7 @@ double PairGranular::pulloff_distance(double radi, double radj,
if (Reff <= 0) return 0;
coh = normal_coeffs[itype][jtype][3];
E = normal_coeffs[itype][jtype][0]*THREEQUARTERS;
a = cbrt(9*MY_PI*coh*Reff/(4*E));
a = cbrt(9*MY_PI*coh*Reff*Reff/(4*E));
return a*a/Reff - 2*sqrt(MY_PI*coh*a/E);
}