From 5a23d2d1da7559f904db9e2be82766d8b84ac462 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 26 May 2017 20:28:45 -0400 Subject: [PATCH] fix bug in computing mixed EAM potentials introduced by TI modifications --- src/MANYBODY/pair_eam.cpp | 1 + 1 file changed, 1 insertion(+) diff --git a/src/MANYBODY/pair_eam.cpp b/src/MANYBODY/pair_eam.cpp index a610ca1bf1..d3ac3951bf 100644 --- a/src/MANYBODY/pair_eam.cpp +++ b/src/MANYBODY/pair_eam.cpp @@ -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) {