Simpatico  v1.10
DdMdTrajectoryWriter.h
1 #ifndef DDMD_DDMD_TRAJECTORY_WRITER_H
2 #define DDMD_DDMD_TRAJECTORY_WRITER_H
3 
4 /*
5 * Simpatico - Simulation Package for Polymeric and Molecular Liquids
6 *
7 * Copyright 2010 - 2017, The Regents of the University of Minnesota
8 * Distributed under the terms of the GNU General Public License.
9 */
10 
11 #include <ddMd/analyzers/trajectory/TrajectoryWriter.h> // base class
12 
13 namespace DdMd
14 {
15 
16  using namespace Util;
17 
24  {
25 
26  public:
27 
33  DdMdTrajectoryWriter(Simulation& simulation);
34 
38  virtual ~DdMdTrajectoryWriter();
39 
45  void writeHeader(std::ofstream &file);
46 
53  void writeFrame(std::ofstream &file, long iStep);
54 
55  private:
56 
58  int nAtom_;
59 
60  #if 0
61 
64  template <int N>
65  int writeGroups(BinaryFileOArchive& ar,
66  GroupStorage<N>& storage,
67  GroupCollector<N>& collector);
68  #endif
69 
70  };
71 
72 }
73 #endif
Base class to write a trajectory to a single file.
Parallel domain decomposition (DD) MD simulation.
Main object for a domain-decomposition MD simulation.
Saving / output archive for binary ostream.
Class for collecting Groups from processors to master processor.
Utility classes for scientific computation.
Definition: accumulators.mod:1
A container for all the Group<N> objects on this processor.
Native binary trajectory format for ddSim.