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