From 29f66ff37581d41dede78f4c80eb5edaa05c9a81 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 28 May 2014 14:02:41 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12037 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/USER-REAXC/reaxc_hydrogen_bonds.cpp | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/src/USER-REAXC/reaxc_hydrogen_bonds.cpp b/src/USER-REAXC/reaxc_hydrogen_bonds.cpp index 9806716d2f..640c398fe3 100644 --- a/src/USER-REAXC/reaxc_hydrogen_bonds.cpp +++ b/src/USER-REAXC/reaxc_hydrogen_bonds.cpp @@ -166,10 +166,10 @@ void Hydrogen_Bonds( reax_system *system, control_params *control, /* tally into per-atom virials */ if (system->pair_ptr->vflag_atom || system->pair_ptr->evflag) { - rvec_ScaledSum( delij, 1., system->my_atoms[i].x, - -1., system->my_atoms[j].x ); - rvec_ScaledSum( delkj, 1., system->my_atoms[k].x, - -1., system->my_atoms[j].x ); + rvec_ScaledSum( delij, 1., system->my_atoms[j].x, + -1., system->my_atoms[i].x ); + rvec_ScaledSum( delkj, 1., system->my_atoms[j].x, + -1., system->my_atoms[k].x ); rvec_Scale(fi_tmp, CEhb2, dcos_theta_di); rvec_Scale(fk_tmp, CEhb2, dcos_theta_dk);