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root/OpenMD/trunk/src/math/SquareMatrix3.hpp
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Comparing trunk/src/math/SquareMatrix3.hpp (file contents):
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC vs.
Revision 2000 by gezelter, Sat May 31 22:35:05 2014 UTC

# Line 35 | Line 35
35   *                                                                      
36   * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37   * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38 < * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
38 > * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
39   * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40   * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
# Line 125 | Line 125 | namespace OpenMD {
125       * Sets this matrix to a rotation matrix by three euler angles
126       * @param phi
127       * @param theta
128 <     * @psi theta
128 >     * @param psi
129       */
130      void setupRotMat(Real phi, Real theta, Real psi) {
131        Real sphi, stheta, spsi;
# Line 569 | Line 569 | namespace OpenMD {
569    typedef SquareMatrix3<RealType> Mat3x3d;
570    typedef SquareMatrix3<RealType> RotMat3x3d;
571  
572 +  const Mat3x3d M3Zero(0.0);
573 +
574 +
575   } //namespace OpenMD
576   #endif // MATH_SQUAREMATRIX_HPP
577  

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