/*
* Project: MoleCuilder
* Description: creates and alters molecular systems
* Copyright (C) 2012 University of Bonn. All rights reserved.
* Copyright (C) 2013 Frederik Heber. All rights reserved.
*
*
* This file is part of MoleCuilder.
*
* MoleCuilder is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 2 of the License, or
* (at your option) any later version.
*
* MoleCuilder is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with MoleCuilder. If not, see .
*/
/*
* VMGData.cpp
*
* Created on: Aug 6, 2012
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
#include "CodePatterns/MemDebug.hpp"
#include "VMGData.hpp"
#include
VMGData::VMGData(const SamplingGridProperties &_props) :
sampled_potential(_props),
nuclei_long(0.),
electron_long(0.)
{}
VMGData::VMGData()
{}
std::ostream & operator<<(std::ostream &ost, const VMGData &data)
{
ost << "Nuclei long-Range energy: " << data.nuclei_long << std::endl;
ost << "Electron long-Range energy: " << data.electron_long << std::endl;
return ost;
}