source: src/Fragmentation/Summation/Containers/VMGData.cpp@ 97d6ab

Last change on this file since 97d6ab was 5aaa43, checked in by Frederik Heber <heber@…>, 12 years ago

FIX: Fixed new copyright line since start of 2013 in CodeChecks test.

  • we must look for either Uni Bonn or myself.
  • added second copyright line since from 1st of Jan 2013 I am not employed by University of Bonn anymore, hence changes to the code are my own copyright.
  • Property mode set to 100644
File size: 1.5 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2012 University of Bonn. All rights reserved.
5 * Copyright (C) 2013 Frederik Heber. All rights reserved.
6 *
7 *
8 * This file is part of MoleCuilder.
9 *
10 * MoleCuilder is free software: you can redistribute it and/or modify
11 * it under the terms of the GNU General Public License as published by
12 * the Free Software Foundation, either version 2 of the License, or
13 * (at your option) any later version.
14 *
15 * MoleCuilder is distributed in the hope that it will be useful,
16 * but WITHOUT ANY WARRANTY; without even the implied warranty of
17 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18 * GNU General Public License for more details.
19 *
20 * You should have received a copy of the GNU General Public License
21 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
22 */
23
24/*
25 * VMGData.cpp
26 *
27 * Created on: Aug 6, 2012
28 * Author: heber
29 */
30
31
32// include config.h
33#ifdef HAVE_CONFIG_H
34#include <config.h>
35#endif
36
37#include "CodePatterns/MemDebug.hpp"
38
39#include "VMGData.hpp"
40
41#include <iostream>
42
43VMGData::VMGData(const SamplingGridProperties &_props) :
44 sampled_potential(_props),
45 nuclei_long(0.),
46 electron_long(0.)
47{}
48
49VMGData::VMGData()
50{}
51
52std::ostream & operator<<(std::ostream &ost, const VMGData &data)
53{
54 ost << "Nuclei long-Range energy: " << data.nuclei_long << std::endl;
55 ost << "Electron long-Range energy: " << data.electron_long << std::endl;
56 return ost;
57}
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