Simpatico  v1.10
mcMd/trajectory/LammpsDumpReader.h
1 #ifndef MCMD_LAMMPS_DUMP_READER_H
2 #define MCMD_LAMMPS_DUMP_READER_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 <mcMd/trajectory/TrajectoryReader.h> // base class
12 #include <util/containers/DArray.h> // member template
13 #include <util/space/Vector.h> // template argument
14 
15 namespace McMd
16 {
17 
18  using namespace Util;
19 
31  {
32 
33  public:
34 
38  LammpsDumpReader(System& system);
39 
43  virtual ~LammpsDumpReader();
44 
50  void open(std::string filename);
51 
57  bool readFrame();
58 
62  void close();
63 
64  private:
65 
67  std::ifstream file_;
68 
70  DArray< Vector > positions_;
71 
72  };
73 
74 }
75 #endif
A set of interacting Molecules enclosed by a Boundary.
Definition: System.h:115
TrajectoryReader for Lammps dump trajectory files.
Utility classes for scientific computation.
Definition: accumulators.mod:1
Trajectory file reader (base class).
Dynamically allocatable contiguous array template.
Definition: DArray.h:31
Single-processor Monte Carlo (MC) and molecular dynamics (MD).