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Comparing:
trunk/src/math/DynamicRectMatrix.hpp (file contents), Revision 891 by tim, Wed Feb 22 20:35:16 2006 UTC vs.
branches/development/src/math/DynamicRectMatrix.hpp (file contents), Revision 1808 by gezelter, Mon Oct 22 20:42:10 2012 UTC

# Line 6 | Line 6
6   * redistribute this software in source and binary code form, provided
7   * that the following conditions are met:
8   *
9 < * 1. Acknowledgement of the program authors must be made in any
10 < *    publication of scientific results based in part on use of the
11 < *    program.  An acceptable form of acknowledgement is citation of
12 < *    the article in which the program was described (Matthew
13 < *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14 < *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15 < *    Parallel Simulation Engine for Molecular Dynamics,"
16 < *    J. Comput. Chem. 26, pp. 252-271 (2005))
17 < *
18 < * 2. Redistributions of source code must retain the above copyright
9 > * 1. Redistributions of source code must retain the above copyright
10   *    notice, this list of conditions and the following disclaimer.
11   *
12 < * 3. Redistributions in binary form must reproduce the above copyright
12 > * 2. Redistributions in binary form must reproduce the above copyright
13   *    notice, this list of conditions and the following disclaimer in the
14   *    documentation and/or other materials provided with the
15   *    distribution.
# Line 37 | Line 28
28   * arising out of the use of or inability to use software, even if the
29   * University of Notre Dame has been advised of the possibility of
30   * such damages.
31 + *
32 + * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33 + * research, please cite the appropriate papers when you publish your
34 + * work.  Good starting points are:
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).          
39 + * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40 + * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
42  
43   /**
# Line 52 | Line 53
53   #include <cmath>
54   #include "math/DynamicVector.hpp"
55  
56 < namespace oopse {
56 > namespace OpenMD {
57  
58    /**
59     * @class DynamicRectMatrix DynamicRectMatrix.hpp "math/DynamicRectMatrix.hpp"
# Line 66 | Line 67 | namespace oopse {
67      typedef DynamicRectMatrix<Real> SelfType;
68              
69      /** default constructor */
70 +    DynamicRectMatrix(){
71 +      nrow_ = 0;
72 +      ncol_ = 0;
73 +      data_ = NULL;
74 +    }
75 +
76      DynamicRectMatrix(int nrow, int ncol) {
77        allocate(nrow, ncol);
78  
# Line 226 | Line 233 | namespace oopse {
233      /**
234       * Tests if this matrix is identical to matrix m
235       * @return true if this matrix is equal to the matrix m, return false otherwise
236 <     * @m matrix to be compared
236 >     * @param m matrix to be compared
237       *
238       * @todo replace operator == by template function equal
239       */
# Line 243 | Line 250 | namespace oopse {
250      /**
251       * Tests if this matrix is not equal to matrix m
252       * @return true if this matrix is not equal to the matrix m, return false otherwise
253 <     * @m matrix to be compared
253 >     * @param m matrix to be compared
254       */
255      bool operator !=(const DynamicRectMatrix<Real> m) {
256        return !(*this == m);
# Line 433 | Line 440 | namespace oopse {
440      unsigned int nrow_;
441      unsigned int ncol_;
442    private:
443 <    void allocate(int nrow, int ncol) {
444 <        nrow_ = nrow;
445 <        ncol_ = ncol;
446 <        data_ = new Real*[nrow_];
447 <        for (int i = 0; i < nrow_; ++i)
448 <            data_[i] = new Real[ncol_];
443 >    void allocate( int nrow,  int ncol ) {
444 >      nrow_ = (unsigned int) nrow;
445 >      ncol_ = (unsigned int) ncol;
446 >      data_ = new Real*[nrow_];
447 >      for (unsigned int i = 0; i < nrow_; ++i)
448 >        data_[i] = new Real[ncol_];
449      }
450 <
450 >    
451      void deallocate() {
452 <      for (int i = 0; i < nrow_; ++i)
452 >      for (unsigned int i = 0; i < nrow_; ++i)
453          delete data_[i];
454        delete []data_;
455 <
455 >      
456        nrow_ = 0;
457        ncol_ = 0;
458        data_ = NULL;

Comparing:
trunk/src/math/DynamicRectMatrix.hpp (property svn:keywords), Revision 891 by tim, Wed Feb 22 20:35:16 2006 UTC vs.
branches/development/src/math/DynamicRectMatrix.hpp (property svn:keywords), Revision 1808 by gezelter, Mon Oct 22 20:42:10 2012 UTC

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