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restore missing line

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This commit is contained in:
Axel Kohlmeyer
2024-04-15 11:24:54 -04:00
parent 3a94e4df2d
commit b2fded3933
1 changed files with 1 additions and 0 deletions
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src/MANYBODY/pair_eam.cpp
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@ -241,6 +241,7 @@ void PairEAM::compute(int eflag, int vflag)
phi = ((coeff[3]*p + coeff[4])*p + coeff[5])*p + coeff[6]; phi = ((coeff[3]*p + coeff[4])*p + coeff[5])*p + coeff[6];
if (rho[i] > rhomax) { if (rho[i] > rhomax) {
phi += fp[i] * (rho[i]-rhomax); phi += fp[i] * (rho[i]-rhomax);
beyond_rhomax = 1;
} }
phi *= scale[type[i]][type[i]]; phi *= scale[type[i]][type[i]];
if (eflag_global) eng_vdwl += phi; if (eflag_global) eng_vdwl += phi;