From 2676e30a502b21f1c9e7314e43a956ed5e8ffd47 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 26 Aug 2010 15:27:00 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4597 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/MANYBODY/pair_airebo.cpp | 2 +- src/MANYBODY/pair_comb.cpp | 2 +- src/MANYBODY/pair_tersoff.cpp | 2 +- src/pair_hybrid.cpp | 3 ++- 4 files changed, 5 insertions(+), 4 deletions(-) diff --git a/src/MANYBODY/pair_airebo.cpp b/src/MANYBODY/pair_airebo.cpp index 72a44983e5..0f59fbafb0 100644 --- a/src/MANYBODY/pair_airebo.cpp +++ b/src/MANYBODY/pair_airebo.cpp @@ -90,7 +90,7 @@ PairAIREBO::~PairAIREBO() void PairAIREBO::compute(int eflag, int vflag) { if (eflag || vflag) ev_setup(eflag,vflag); - else evflag = vflag_fdotr = 0; + else evflag = vflag_fdotr = vflag_atom = 0; REBO_neigh(); FREBO(eflag,vflag); diff --git a/src/MANYBODY/pair_comb.cpp b/src/MANYBODY/pair_comb.cpp index 9ed7d0c93a..0dbcc648d6 100644 --- a/src/MANYBODY/pair_comb.cpp +++ b/src/MANYBODY/pair_comb.cpp @@ -126,7 +126,7 @@ void PairComb::compute(int eflag, int vflag) evdwl = ecoul = 0.0; if (eflag || vflag) ev_setup(eflag,vflag); - else evflag = vflag_fdotr = 0; + else evflag = vflag_fdotr = vflag_atom = 0; // grow coordination array if necessary diff --git a/src/MANYBODY/pair_tersoff.cpp b/src/MANYBODY/pair_tersoff.cpp index cfa133d3d7..6be89f9877 100755 --- a/src/MANYBODY/pair_tersoff.cpp +++ b/src/MANYBODY/pair_tersoff.cpp @@ -86,7 +86,7 @@ void PairTersoff::compute(int eflag, int vflag) evdwl = 0.0; if (eflag || vflag) ev_setup(eflag,vflag); - else evflag = vflag_fdotr = 0; + else evflag = vflag_fdotr = vflag_atom = 0; double **x = atom->x; double **f = atom->f; diff --git a/src/pair_hybrid.cpp b/src/pair_hybrid.cpp index 5d1e644c91..f66e67a27b 100644 --- a/src/pair_hybrid.cpp +++ b/src/pair_hybrid.cpp @@ -78,7 +78,8 @@ void PairHybrid::compute(int eflag, int vflag) if (no_virial_compute && vflag % 4 == 2) vflag = 1 + vflag/4 * 4; if (eflag || vflag) ev_setup(eflag,vflag); - else evflag = vflag_fdotr = 0; + else evflag = vflag_fdotr = eflag_global = vflag_global = + eflag_atom = vflag_atom = 0; // check if global component of incoming vflag = 2 // if so, reset vflag passed to substyle as if it were 0