Commit 5a23d2d1 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

fix bug in computing mixed EAM potentials introduced by TI modifications

parent de446ace

src/MANYBODY/pair_eam.cpp

+1 −0
Original line number Diff line number Diff line
@@ -429,6 +429,7 @@ double PairEAM::init_one(int i, int j) 
  // for funcfl could be multiple files

  // for setfl or fs, just one file



  if (setflag[i][j] == 0) scale[i][j] = 1.0;

  scale[j][i] = scale[i][j];



  if (funcfl) {

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