source: src/Fragmentation/Summation/SetValues/IndexedPartialCharges.cpp@ f5d635

Add_FitFragmentPartialChargesAction Fix_ChargeSampling_PBC Fix_FitPartialCharges
Last change on this file since f5d635 was f5d635, checked in by Frederik Heber <heber@…>, 9 years ago

Added IndexedPartialCharges.

  • 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) 2016 Frederik Heber. All rights reserved.
5 *
6 *
7 * This file is part of MoleCuilder.
8 *
9 * MoleCuilder is free software: you can redistribute it and/or modify
10 * it under the terms of the GNU General Public License as published by
11 * the Free Software Foundation, either version 2 of the License, or
12 * (at your option) any later version.
13 *
14 * MoleCuilder is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17 * GNU General Public License for more details.
18 *
19 * You should have received a copy of the GNU General Public License
20 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
21 */
22
23/*
24 * IndexedPartialCharges.cpp
25 *
26 * Created on: Jun 12, 2016
27 * Author: heber
28 */
29
30
31// include config.h
32#ifdef HAVE_CONFIG_H
33#include <config.h>
34#endif
35
36#include "CodePatterns/MemDebug.hpp"
37
38#include <iostream>
39
40#include "IndexedPartialCharges.hpp"
41
42template <>
43IndexedPartialCharges ZeroInstance<IndexedPartialCharges>()
44{
45 IndexedPartialCharges returnvalue;
46 return returnvalue;
47}
48
49template <>
50partial_charge_t ZeroInstance<partial_charge_t>()
51{
52 partial_charge_t returnvalue;
53 return returnvalue;
54}
55
56std::ostream & operator<<(std::ostream &ost, const partial_charge_t &other)
57{
58 ost << other.charge;
59 return ost;
60}
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