restore missing line

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