Commit 598f1e22 authored by athomps's avatar athomps
Browse files

Enabled zero-valued twobody Tersoff parameters

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@248 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent b1f5b7aa
Loading
Loading
Loading
Loading
+3 −3
Original line number Diff line number Diff line
@@ -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");