From 598f1e227460d1a2ea04330ed7d35a7a461ba69d Mon Sep 17 00:00:00 2001 From: athomps Date: Mon, 22 Jan 2007 21:20:21 +0000 Subject: [PATCH] Enabled zero-valued twobody Tersoff parameters git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@248 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/MANYBODY/pair_tersoff.cpp | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/MANYBODY/pair_tersoff.cpp b/src/MANYBODY/pair_tersoff.cpp index a8ed72aacb..63e2327120 100755 --- a/src/MANYBODY/pair_tersoff.cpp +++ b/src/MANYBODY/pair_tersoff.cpp @@ -450,12 +450,12 @@ void PairTersoff::read_file(char *file) params[nparams].lam1 = atof(words[13]); params[nparams].biga = atof(words[14]); - if (params[nparams].lam3 < 0.0 || params[nparams].c <= 0.0 || - params[nparams].d <= 0.0 || params[nparams].powern <= 0.0 || + if (params[nparams].lam3 < 0.0 || params[nparams].c < 0.0 || + params[nparams].d < 0.0 || params[nparams].powern < 0.0 || params[nparams].beta < 0.0 || params[nparams].lam2 < 0.0 || params[nparams].bigb < 0.0 || params[nparams].bigr < 0.0 || params[nparams].bigd < 0.0 || - params[nparams].bigd >= params[nparams].bigr || + params[nparams].bigd > params[nparams].bigr || params[nparams].lam3 < 0.0 || params[nparams].biga < 0.0) error->all("Illegal Tersoff parameter");