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Comparing trunk/src/math/Vector.hpp (file contents):
Revision 963 by tim, Wed May 17 21:51:42 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 54 | Line 54
54   #include <iostream>
55   #include <math.h>
56   #include "config.h"
57 < namespace oopse {
57 > namespace OpenMD {
58  
59    static const RealType epsilon = 0.000001;
60  
# Line 313 | Line 313 | namespace oopse {
313        return *this;
314      }
315  
316 +    /**
317 +     * Returns the sum of all elements of this vector.
318 +     * @return the sum of all elements of this vector
319 +     */
320 +    inline Real sum() {
321 +      Real tmp;
322 +      tmp = 0;
323 +      for (unsigned int i = 0; i < Dim; i++)
324 +        tmp += this->data_[i];
325 +      return tmp;  
326 +    }
327 +            
328      /**
329       * Returns the length of this vector.
330       * @return the length of this vector
# Line 335 | Line 347 | namespace oopse {
347  
348        len = length();
349                  
350 <      //if (len < oopse:epsilon)
350 >      //if (len < OpenMD::NumericConstant::epsilon)
351        //  throw();
352                  
353        *this /= len;

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