diff --git a/src/MESONT/pair_mesocnt.cpp b/src/MESONT/pair_mesocnt.cpp index 9137b19e7c..03227fd483 100644 --- a/src/MESONT/pair_mesocnt.cpp +++ b/src/MESONT/pair_mesocnt.cpp @@ -42,6 +42,7 @@ using namespace MathExtra; #define SMALL 1.0e-6 #define SWITCH 1.0e-6 #define QUADRATURE 100 +#define RHOMIN 10.0 /* ---------------------------------------------------------------------- */ @@ -1515,7 +1516,7 @@ void PairMesoCNT::weight(const double *r1, const double *r2, const double *p1, c dr = sqrt(0.25 * distsq3(r1, r2) + rsq); dp = sqrt(0.25 * distsq3(p1, p2) + rsq); rhoc = dr + dp + rc; - rhomin = 20.0 * ang; + rhomin = RHOMIN * ang; rho = sqrt(distsq3(r, p)); frac = 1.0 / (rhoc - rhomin);