From a6e79606be1bfeb717ef835fb84283f0d4bab3b7 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 12 Feb 2009 20:45:31 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2579 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/REAX/pair_reax.cpp | 2 +- src/REAX/pair_reax.h | 1 - 2 files changed, 1 insertion(+), 2 deletions(-) diff --git a/src/REAX/pair_reax.cpp b/src/REAX/pair_reax.cpp index a23f04cc35..1e730a8f95 100644 --- a/src/REAX/pair_reax.cpp +++ b/src/REAX/pair_reax.cpp @@ -53,8 +53,8 @@ PairREAX::PairREAX(LAMMPS *lmp) : Pair(lmp) { single_enable = 0; one_coeff = 1; + no_virial_compute = 1; - Lmidpoint = false; cutmax = 0.0; hbcut = 6.0; iprune = 4; diff --git a/src/REAX/pair_reax.h b/src/REAX/pair_reax.h index dd48c12474..23b83a0a1d 100644 --- a/src/REAX/pair_reax.h +++ b/src/REAX/pair_reax.h @@ -39,7 +39,6 @@ class PairREAX : public Pair { double cutmax; double rcutvsq,rcutbsq; int iprune,ihb; - bool Lmidpoint; double hbcut,swb; double swa; double swc0, swc1, swc2, swc3, swc4, swc5, swc6, swc7;