--- trunk/OOPSE/libmdtools/SimInfo.cpp 2003/08/12 21:44:06 690 +++ trunk/OOPSE/libmdtools/SimInfo.cpp 2003/09/15 16:52:02 763 @@ -26,6 +26,7 @@ SimInfo::SimInfo(){ SimInfo::SimInfo(){ excludes = NULL; n_constraints = 0; + nZconstraints = 0; n_oriented = 0; n_dipoles = 0; ndf = 0; @@ -598,4 +599,9 @@ vector SimInfo::getProperties(){ return result; } +double SimInfo::matTrace3(double m[3][3]){ + double trace; + trace = m[0][0] + m[1][1] + m[2][2]; + return trace; +}