From 7162cf032dbcd6ca13db9dd540eef5b3eb6cfa9f Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 19 Nov 2013 15:22:17 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11024 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/REPLICA/fix_neb.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/REPLICA/fix_neb.cpp b/src/REPLICA/fix_neb.cpp index 4e9dfbd0b3..6a124457a6 100644 --- a/src/REPLICA/fix_neb.cpp +++ b/src/REPLICA/fix_neb.cpp @@ -178,7 +178,7 @@ void FixNEB::min_post_force(int vflag) double **f = atom->f; double fsq = 0.0; for (int i = 0; i < nlocal; i++) - fsq += f[i][0]*f[i][0] + f[i][1]*f[i][1]; //+ f[i][2]*f[i][2]; + fsq += f[i][0]*f[i][0] + f[i][1]*f[i][1] + f[i][2]*f[i][2]; MPI_Allreduce(&fsq,&gradvnorm,1,MPI_DOUBLE,MPI_MAX,world); gradvnorm = sqrt(gradvnorm);