Simpatico  v1.10
DdMdGroupTrajectoryWriter.h
1 #ifndef DDMD_DDMD_GROUP_TRAJECTORY_WRITER_H
2 #define DDMD_DDMD_GROUP_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 
34 
38  virtual ~DdMdGroupTrajectoryWriter();
39 
43  virtual void readParameters(std::istream& in);
44 
50  virtual void loadParameters(Serializable::IArchive &ar);
51 
57  virtual void save(Serializable::OArchive &ar);
58 
64  void writeHeader(std::ofstream &file);
65 
72  void writeFrame(std::ofstream &file, long iStep);
73 
74  private:
75 
77  unsigned int groupId_;
78 
80  int nAtom_;
81 
82  };
83 
84 }
85 #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.
Native binary trajectory format for ddSim, for one group.
Saving / output archive for binary ostream.
Utility classes for scientific computation.
Definition: accumulators.mod:1
Saving archive for binary istream.