--- branches/development/src/math/SquareMatrix3.hpp 2011/08/03 20:20:37 1600 +++ branches/development/src/math/SquareMatrix3.hpp 2012/07/06 22:01:58 1767 @@ -36,7 +36,8 @@ * [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). - * [4] Vardeman & Gezelter, in progress (2009). + * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). + * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ /** @@ -47,6 +48,8 @@ */ #ifndef MATH_SQUAREMATRIX3_HPP #define MATH_SQUAREMATRIX3_HPP +#include "config.h" +#include #include #include "Quaternion.hpp" #include "SquareMatrix.hpp" @@ -109,6 +112,7 @@ namespace OpenMD { return *this; } + /** * Sets this matrix to a rotation matrix by three euler angles * @ param euler @@ -187,7 +191,6 @@ namespace OpenMD { } - /** * Returns the quaternion from this rotation matrix * @return the quaternion from this rotation matrix