From a0909204ee2f9600eece990aa5634430071ebde2 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 2 Oct 2012 14:10:47 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8842 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/USER-MISC/pair_edip.cpp | 26 +++++++++++++------------- 1 file changed, 13 insertions(+), 13 deletions(-) diff --git a/src/USER-MISC/pair_edip.cpp b/src/USER-MISC/pair_edip.cpp index 0e121ab7b4..feba3c06ad 100755 --- a/src/USER-MISC/pair_edip.cpp +++ b/src/USER-MISC/pair_edip.cpp @@ -340,13 +340,13 @@ void PairEDIP::compute(int eflag, int vflag) f_ij[1] = forceMod2B * directorCos_ij_y; f_ij[2] = forceMod2B * directorCos_ij_z; - f[j][0] += f_ij[0]; - f[j][1] += f_ij[1]; - f[j][2] += f_ij[2]; + f[i][0] += f_ij[0]; + f[i][1] += f_ij[1]; + f[i][2] += f_ij[2]; - f[i][0] -= f_ij[0]; - f[i][1] -= f_ij[1]; - f[i][2] -= f_ij[2]; + f[j][0] -= f_ij[0]; + f[j][1] -= f_ij[1]; + f[j][2] -= f_ij[2]; // potential energy @@ -455,7 +455,7 @@ void PairEDIP::compute(int eflag, int vflag) // forces due to environment coordination f(Z) for (int idx = 0; idx < numForceCoordPairs; idx++) { - double dr_ij[3], f_ij[3]; + double dr_ij[3],f_ij[3]; preForceCoord_counter = idx * 5; zeta_iDerivedInvR_ij=preForceCoord[preForceCoord_counter+0]; @@ -470,13 +470,13 @@ void PairEDIP::compute(int eflag, int vflag) f_ij[1] = forceModCoord_ij * dr_ij[1]; f_ij[2] = forceModCoord_ij * dr_ij[2]; - f[j][0] -= f_ij[0]; - f[j][1] -= f_ij[1]; - f[j][2] -= f_ij[2]; + f[i][0] -= f_ij[0]; + f[i][1] -= f_ij[1]; + f[i][2] -= f_ij[2]; - f[i][0] += f_ij[0]; - f[i][1] += f_ij[1]; - f[i][2] += f_ij[2]; + f[j][0] += f_ij[0]; + f[j][1] += f_ij[1]; + f[j][2] += f_ij[2]; // potential energy