| Last change
 on this file since 88bb6b 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 | 
        
          | File size:
            1.5 KB | 
      
      
| Rev | Line |  | 
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| [2bc560] | 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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| [5aaa43] | 5 | * Copyright (C)  2013 Frederik Heber. All rights reserved. | 
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| [2bc560] | 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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| [e2925fd] | 45 | nuclei_long(0.), | 
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|  | 46 | electron_long(0.) | 
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| [2bc560] | 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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| [e2925fd] | 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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| [2bc560] | 56 | return ost; | 
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|  | 57 | } | 
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