From 8d044dd3ee667ea7bc271e7486d770417155ab6a Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 17 Aug 2007 21:59:21 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@816 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/MANYBODY/pair_airebo.cpp | 11 ++++------- 1 file changed, 4 insertions(+), 7 deletions(-) diff --git a/src/MANYBODY/pair_airebo.cpp b/src/MANYBODY/pair_airebo.cpp index 247db9f733..5d0189c2f5 100644 --- a/src/MANYBODY/pair_airebo.cpp +++ b/src/MANYBODY/pair_airebo.cpp @@ -2977,7 +2977,7 @@ double PairAIREBO::PijSpline(double NijC, double NijH, int typei, int typej, double PairAIREBO::piRCSpline(double Nij, double Nji, double Nijconj, int typei, int typej, double dN3[3]) { - int x,y,z,i,j,k,l,trigger,done; + int x,y,z,i,j,k,l,done; double piRC,coeffs[64]; x=0; y=0; @@ -2985,10 +2985,9 @@ double PairAIREBO::piRCSpline(double Nij, double Nji, double Nijconj, i=0; j=0; done=0; - trigger=0; - for (i=0; i<64; i++) { - coeffs[i]=0.0; - } + + for (i=0; i<64; i++) coeffs[i]=0.0; + if (typei==0 && typej==0) { //if the inputs are out of bounds set them back to a point in bounds if (Nij