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root/OpenMD/branches/development/src/math/SquareMatrix.hpp
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Comparing trunk/src/math/SquareMatrix.hpp (file contents):
Revision 93 by tim, Sun Oct 17 01:19:11 2004 UTC vs.
Revision 113 by tim, Tue Oct 19 23:01:03 2004 UTC

# Line 78 | Line 78 | namespace oopse {
78              return m;
79          }
80  
81 <        /** Retunrs  the inversion of this matrix. */
81 >        /**
82 >         * Retunrs  the inversion of this matrix.
83 >         * @todo need implementation
84 >         */
85           SquareMatrix<Real, Dim>  inverse() {
86               SquareMatrix<Real, Dim> result;
87  
88               return result;
89          }        
90  
91 <        /** Returns the determinant of this matrix. */
92 <        double determinant() const {
93 <            double det;
91 >        /**
92 >         * Returns the determinant of this matrix.
93 >         * @todo need implementation
94 >         */
95 >        Real determinant() const {
96 >            Real det;
97              return det;
98          }
99  
100          /** Returns the trace of this matrix. */
101 <        double trace() const {
102 <           double tmp = 0;
101 >        Real trace() const {
102 >           Real tmp = 0;
103            
104              for (unsigned int i = 0; i < Dim ; i++)
105                  tmp += data_[i][i];
# Line 142 | Line 148 | namespace oopse {
148              return true;
149          }        
150  
151 +        /** @todo need implementation */
152          void diagonalize() {
153 <            jacobi(m, eigenValues, ortMat);
153 >            //jacobi(m, eigenValues, ortMat);
154          }
155  
156          /**
# Line 158 | Line 165 | namespace oopse {
165              SquareMatrix<Real, Dim> ortMat;
166              
167              if ( !isSymmetric()){
168 <                throw();
168 >                //throw();
169              }
170              
171              SquareMatrix<Real, Dim> m(*this);
# Line 175 | Line 182 | namespace oopse {
182           * @param w output eigenvalues
183           * @param v output eigenvectors
184           */
185 <        bool jacobi(const SquareMatrix<Real, Dim>& a, Vector<Real, Dim>& w,
185 >        bool jacobi(SquareMatrix<Real, Dim>& a, Vector<Real, Dim>& w,
186                                SquareMatrix<Real, Dim>& v);
187      };//end SquareMatrix
188  
# Line 184 | Line 191 | template<typename Real, int Dim>
191   #define MAX_ROTATIONS 60
192  
193   template<typename Real, int Dim>
194 < bool SquareMatrix<Real, Dim>::jacobi(const SquareMatrix<Real, Dim>& a, Vector<Real, Dim>& w,
194 > bool SquareMatrix<Real, Dim>::jacobi(SquareMatrix<Real, Dim>& a, Vector<Real, Dim>& w,
195                                SquareMatrix<Real, Dim>& v) {
196      const int N = Dim;                                                                      
197      int i, j, k, iq, ip;
198 <    double tresh, theta, tau, t, sm, s, h, g, c;
199 <    double tmp;
198 >    Real tresh, theta, tau, t, sm, s, h, g, c;
199 >    Real tmp;
200      Vector<Real, Dim> b, z;
201  
202      // initialize
# Line 256 | Line 263 | bool SquareMatrix<Real, Dim>::jacobi(const SquareMatri
263  
264                      for (j=iq+1; j<N; j++)
265                          ROT(a,ip,j,iq,j);
266 +                    
267                      for (j=0; j<N; j++)
268                          ROT(v,j,ip,j,iq);
269                  }

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