--- trunk/src/math/SquareMatrix3.hpp 2012/08/22 02:28:28 1782 +++ trunk/src/math/SquareMatrix3.hpp 2014/05/31 22:35:05 2000 @@ -35,7 +35,7 @@ * * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). - * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ @@ -125,7 +125,7 @@ namespace OpenMD { * Sets this matrix to a rotation matrix by three euler angles * @param phi * @param theta - * @psi theta + * @param psi */ void setupRotMat(Real phi, Real theta, Real psi) { Real sphi, stheta, spsi; @@ -569,6 +569,9 @@ namespace OpenMD { typedef SquareMatrix3 Mat3x3d; typedef SquareMatrix3 RotMat3x3d; + const Mat3x3d M3Zero(0.0); + + } //namespace OpenMD #endif // MATH_SQUAREMATRIX_HPP