source: src/Fragmentation/Summation/Containers/VMGData.hpp@ d200ae

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Last change on this file since d200ae was d200ae, checked in by Frederik Heber <heber@…>, 9 years ago

Added new SetValues FragmentForces.

  • struct is particle_forces used in fusion maps and vectors.
  • Property mode set to 100644
File size: 1.6 KB
Line 
1/*
2 * VMGData.hpp
3 *
4 * Created on: Aug 6, 2012
5 * Author: heber
6 */
7
8#ifndef VMGDATA_HPP_
9#define VMGDATA_HPP_
10
11
12// include config.h
13#ifdef HAVE_CONFIG_H
14#include <config.h>
15#endif
16
17
18#include <boost/serialization/access.hpp>
19#include <boost/serialization/vector.hpp>
20
21#include <iosfwd>
22#include <vector>
23
24#include "Fragmentation/Summation/SetValues/FragmentForces.hpp"
25#include "Fragmentation/Summation/SetValues/SamplingGrid.hpp"
26
27/** This struct contains all returned data from an VMGJob
28 *
29 */
30struct VMGData
31{
32 /** Constructor for class VMGData.
33 *
34 * \param _props properties of sampled potential
35 */
36 VMGData(const SamplingGridProperties &_props);
37
38 /** Default constructor for class VMGData.
39 *
40 */
41 VMGData();
42
43 //!> sampled potential on the grid as output
44 SamplingGrid sampled_potential;
45 //!> sampled potential on the grid as output
46 SamplingGrid both_sampled_potential;
47 //!> nuclei long-range contribution to energy
48 double nuclei_long;
49 //!> electron long-range contribution to energy
50 double electron_long;
51 //!> force vectors of all nuclei
52 FragmentForces particle_forces;
53
54private:
55 friend class boost::serialization::access;
56 // serialization
57 template <typename Archive>
58 void serialize(Archive& ar, const unsigned int version)
59 {
60 ar & sampled_potential;
61 if (version > 1)
62 ar & both_sampled_potential;
63 if (version > 0)
64 ar & nuclei_long;
65 ar & electron_long;
66 if (version > 2)
67 ar & particle_forces;
68 }
69};
70
71BOOST_CLASS_VERSION(VMGData, 3)
72
73std::ostream & operator<<(std::ostream &ost, const VMGData &data);
74
75
76#endif /* VMGDATA_HPP_ */
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