--- trunk/src/math/SquareMatrix3.hpp	2009/11/25 20:02:06	1390
+++ trunk/src/math/SquareMatrix3.hpp	2014/05/31 22:35:05	2000
@@ -35,8 +35,9 @@
  *                                                                      
  * [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).                        
+ * [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).
  */
  
 /**
@@ -47,6 +48,8 @@
  */
 #ifndef MATH_SQUAREMATRIX3_HPP
 #define  MATH_SQUAREMATRIX3_HPP
+#include "config.h"
+#include <cmath>
 #include <vector>
 #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
@@ -121,7 +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;
@@ -187,7 +191,6 @@ namespace OpenMD {
     }
 
 
-
     /**
      * Returns the quaternion from this rotation matrix
      * @return the quaternion from this rotation matrix
@@ -417,7 +420,7 @@ namespace OpenMD {
     Vector3<Real> v_maxI, v_k, v_j;
 
     // diagonalize using Jacobi
-    jacobi(a, w, v);
+    SquareMatrix3<Real>::jacobi(a, w, v);
     // if all the eigenvalues are the same, return identity matrix
     if (w[0] == w[1] && w[0] == w[2] ) {
       v = SquareMatrix3<Real>::identity();
@@ -566,6 +569,9 @@ namespace OpenMD {
   typedef SquareMatrix3<RealType> Mat3x3d;
   typedef SquareMatrix3<RealType> RotMat3x3d;
 
+  const Mat3x3d M3Zero(0.0);
+
+
 } //namespace OpenMD
 #endif // MATH_SQUAREMATRIX_HPP