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Comparing trunk/src/io/ZConsWriter.cpp (file contents):
Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 1442 by gezelter, Mon May 10 17:28:26 2010 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   #include <algorithm>
# Line 46 | Line 46
46  
47   #include "io/ZConsWriter.hpp"
48   #include "utils/simError.h"
49 + #ifdef IS_MPI
50 + #include <mpi.h>
51 + #endif
52  
53 <
51 < namespace oopse {
53 > namespace OpenMD {
54    ZConsWriter::ZConsWriter(SimInfo* info, const std::string& filename) : info_(info) {
55      //use master - slave mode, only master node writes to disk
56   #ifdef IS_MPI
# Line 110 | Line 112 | namespace oopse {
112  
113      MPI_Status ierr;
114      int zmolIndex;
115 <    double data[3];
115 >    RealType data[3];
116      
117      if (masterNode == 0) {
118  
# Line 130 | Line 132 | namespace oopse {
132          } else {
133            for(int k =0 ; k < nFixedZmolsInProc[i]; ++k) {
134              MPI_Recv(&zmolIndex, 1, MPI_INT, i, 0, MPI_COMM_WORLD,&ierr);
135 <            MPI_Recv(data, 3, MPI_DOUBLE, i, 0, MPI_COMM_WORLD,&ierr);
135 >            MPI_Recv(data, 3, MPI_REALTYPE, i, 0, MPI_COMM_WORLD,&ierr);
136              tmpData.zmolIndex = zmolIndex;
137              tmpData.zforce= data[0];
138              tmpData.zpos = data[1];
# Line 159 | Line 161 | namespace oopse {
161          data[1] = j->zpos;
162          data[2] = j->param.zTargetPos;
163          MPI_Send(&zmolIndex, 1, MPI_INT, masterNode, 0, MPI_COMM_WORLD);
164 <        MPI_Send(data, 3, MPI_DOUBLE, masterNode, 0, MPI_COMM_WORLD);
164 >        MPI_Send(data, 3, MPI_REALTYPE, masterNode, 0, MPI_COMM_WORLD);
165              
166        }
167      }

Comparing trunk/src/io/ZConsWriter.cpp (property svn:keywords):
Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC

# Line 0 | Line 1
1 + Author Id Revision Date

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