ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/math/DynamicVector.hpp
(Generate patch)

Comparing trunk/src/math/DynamicVector.hpp (file contents):
Revision 891 by tim, Wed Feb 22 20:35:16 2006 UTC vs.
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 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]  Vardeman & Gezelter, in progress (2009).                        
40   */
41  
42   /**
# Line 56 | Line 56
56   #include <algorithm>
57   #include <vector>
58  
59 < namespace oopse {
59 > namespace OpenMD {
60      
61    /**
62     * @class DynamicVector DynamicVector.hpp "math/DynamicVector.hpp"
# Line 126 | Line 126 | namespace oopse {
126          DynamicVector(_InputIterator first, _InputIterator last,
127                 const allocator_type& alloc = allocator_type())
128          : std::vector<Real, Alloc>(first, last, alloc) {}
129 <            
129 >      
130 >    inline Real operator()(unsigned int i) const{
131 >      return (*this)[i];
132 >    }
133 >    
134 >    inline Real& operator()(unsigned int i){
135 >      return (*this)[i];
136 >    }    
137      /**
138       * Tests if this vetor is equal to other vector
139       * @return true if equal, otherwise return false
# Line 287 | Line 294 | namespace oopse {
294  
295        len = length();
296                  
297 <      //if (len < oopse:epsilon)
297 >      //if (len < OpenMD::NumericConstant::epsilon)
298        //  throw();
299                  
300        *this /= len;
# Line 300 | Line 307 | namespace oopse {
307      inline bool isNormalized() {
308        return equal(lengthSquare(), 1.0);
309      }          
310 +
311 +    template<class VectorType>
312 +    void getSubVector(unsigned int beginning, VectorType& v) {
313 +        assert(beginning + v.size() -1 <= this->size());
314 +
315 +        for (unsigned int i = 0; i < v.size(); ++i)
316 +             v(i) = (*this)[beginning+i];
317 +    }
318 +
319      
320    };
321  

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines