source: src/Jobs/MPQCDataFused.hpp@ 105b72

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Last change on this file since 105b72 was 4aee30, checked in by Frederik Heber <heber@…>, 12 years ago

Timings of MPQCJob are now gathered for total and for the gathering process.

  • the gathering process e.g. includes sampling of electron density.
  • Property mode set to 100644
File size: 1.2 KB
Line 
1/*
2 * MPQCDataFused.hpp
3 *
4 * Created on: 28.07.2012
5 * Author: heber
6 */
7
8#ifndef MPQCDATAFUSED_HPP_
9#define MPQCDATAFUSED_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16/** This namespace contains a key for each data member in MPQCData.
17 *
18 * We need these keys as enumeration of the data members to allow
19 * generic algorithms to work on it.
20 *
21 * \note forward declarations are not enough as we need the true (but empty)
22 * instance when going throughb the list with boost::mpl::for_each.
23 */
24namespace MPQCDataFused {
25 // keys for energy_t
26 struct energy_total {};
27 struct energy_nuclear_repulsion {};
28 struct energy_electron_coulomb {};
29 struct energy_electron_exchange {};
30 struct energy_correlation {};
31 struct energy_overlap {};
32 struct energy_kinetic {};
33 struct energy_hcore {};
34 struct energy_eigenvalues {};
35
36 // keys for forces
37 struct forces {};
38
39 // keys for sampled_grid
40 struct sampled_grid {};
41
42 // keys for fragment
43 struct fragment {};
44
45 // keys for times_t
46 struct times_total_walltime {};
47 struct times_total_cputime {};
48 struct times_total_flops {};
49 struct times_gather_walltime {};
50 struct times_gather_cputime {};
51 struct times_gather_flops {};
52}
53
54
55#endif /* MPQCDATAFUSED_HPP_ */
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