| [358ddb] | 1 | /*
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| 2 | * VMGDataMap.hpp
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| 3 | *
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| 4 | * Created on: Aug 8, 2012
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef VMGDATAMAP_HPP_
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| 9 | #define VMGDATAMAP_HPP_
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| 10 |
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| 11 |
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| 12 | // include config.h
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| 13 | #ifdef HAVE_CONFIG_H
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| 14 | #include <config.h>
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| 15 | #endif
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| 16 |
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| 17 | #include <boost/fusion/container/map.hpp>
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| 18 | #include <boost/mpl/list.hpp>
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| 19 |
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| [d200ae] | 20 | #include <vector>
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| 21 |
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| [fbf143] | 22 | #include "Fragmentation/Summation/Containers/VMGDataFused.hpp"
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| [358ddb] | 23 |
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| 24 | class SamplingGrid;
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| [d200ae] | 25 | class IndexedVectors;
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| [358ddb] | 26 |
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| 27 | /** This boost::fusion map defines key-value or rather key-type pairs with
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| 28 | * which we associate all sampled_grid data members in VMGData and their type.
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| 29 | *
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| 30 | * This lets us resolves any ambiguitites of types in VMGData, e.g.
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| 31 | * to know vector<double> is forces or energy_eigenvalues.
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| 32 | *
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| 33 | */
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| 34 | typedef boost::fusion::map<
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| [e2925fd] | 35 | boost::fusion::pair<VMGDataFused::nuclei_long, double >,
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| [94db13] | 36 | boost::fusion::pair<VMGDataFused::electron_long, double >
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| [358ddb] | 37 | > VMGDataMap_t;
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| 38 |
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| 39 | typedef boost::mpl::list<
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| [e2925fd] | 40 | VMGDataFused::nuclei_long,
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| [94db13] | 41 | VMGDataFused::electron_long
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| [358ddb] | 42 | > VMGDataVector_t;
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| 43 |
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| [94db13] | 44 | /** This boost::fusion map defines key-value or rather key-type pairs with
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| 45 | * which we associate all forces data members in VMGData and their type.
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| 46 | *
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| 47 | * This lets us resolves any ambiguitites of types in VMGData, e.g.
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| 48 | * to know vector<double> is forces or energy_eigenvalues.
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| 49 | *
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| 50 | */
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| 51 | typedef boost::fusion::map<
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| 52 | boost::fusion::pair<VMGDataFused::forces, IndexedVectors >
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| 53 | > VMGDataForceMap_t;
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| 54 |
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| 55 | typedef boost::mpl::list<
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| 56 | VMGDataFused::forces
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| 57 | > VMGDataForceVector_t;
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| 58 |
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| [83a425] | 59 | typedef boost::fusion::map<
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| 60 | boost::fusion::pair<VMGDataFused::sampled_potential, SamplingGrid >,
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| 61 | boost::fusion::pair<VMGDataFused::both_sampled_potential, SamplingGrid >
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| 62 | > VMGDataGridMap_t;
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| 63 |
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| 64 | typedef boost::mpl::list<
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| 65 | VMGDataFused::sampled_potential,
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| 66 | VMGDataFused::both_sampled_potential
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| 67 | > VMGDataGridVector_t;
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| 68 |
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| [a2295a] | 69 | /** This boost::fusion map defines key-value or rather key-type pairs with
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| 70 | * which we associate all sampled_grid data members in VMGData and their type.
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| 71 | *
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| 72 | * This lets us resolves any ambiguitites of types in VMGData, e.g.
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| 73 | * to know vector<double> is forces or energy_eigenvalues.
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| 74 | *
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| 75 | */
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| 76 | typedef boost::fusion::map<
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| [67fec1] | 77 | boost::fusion::pair<VMGDataFused::electron_longrange, double >,
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| 78 | boost::fusion::pair<VMGDataFused::electron_shortrange, double >,
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| [e2925fd] | 79 | boost::fusion::pair<VMGDataFused::mixed_longrange, double >,
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| 80 | boost::fusion::pair<VMGDataFused::mixed_shortrange, double >,
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| [67fec1] | 81 | boost::fusion::pair<VMGDataFused::nuclei_longrange, double >,
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| 82 | boost::fusion::pair<VMGDataFused::nuclei_shortrange, double >,
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| 83 | boost::fusion::pair<VMGDataFused::total_longrange, double >,
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| 84 | boost::fusion::pair<VMGDataFused::total_shortrange, double >
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| [a2295a] | 85 | > VMGDataLongRangeMap_t;
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| 86 |
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| 87 | typedef boost::mpl::list<
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| [67fec1] | 88 | VMGDataFused::electron_longrange,
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| 89 | VMGDataFused::electron_shortrange,
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| [e2925fd] | 90 | VMGDataFused::mixed_longrange,
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| 91 | VMGDataFused::mixed_shortrange,
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| [67fec1] | 92 | VMGDataFused::nuclei_longrange,
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| 93 | VMGDataFused::nuclei_shortrange,
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| 94 | VMGDataFused::total_longrange,
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| 95 | VMGDataFused::total_shortrange
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| [a2295a] | 96 | > VMGDataLongRangeVector_t;
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| 97 |
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| [ff347f] | 98 | typedef boost::fusion::map<
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| 99 | boost::fusion::pair<VMGDataFused::forces_longrange, IndexedVectors >,
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| 100 | boost::fusion::pair<VMGDataFused::forces_shortrange, IndexedVectors >
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| 101 | > VMGDataLongRangeForceMap_t;
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| 102 |
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| 103 | typedef boost::mpl::list<
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| 104 | VMGDataFused::forces_longrange,
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| 105 | VMGDataFused::forces_shortrange
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| 106 | > VMGDataLongRangeForceVector_t;
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| 107 |
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| [358ddb] | 108 |
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| 109 | #endif /* VMGDATAMAP_HPP_ */
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