GaussianFCHKParser.h

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//////////////////////////////////////////////////////////////////////////////////////
// This file is distributed under the University of Illinois/NCSA Open Source License.
// See LICENSE file in top directory for details.
//
// Copyright (c) 2016 Jeongnim Kim and QMCPACK developers.
//
// File developed by: Jeongnim Kim, jeongnim.kim@gmail.com, University of Illinois at Urbana-Champaign
//                    Jeremy McMinnis, jmcminis@gmail.com, University of Illinois at Urbana-Champaign
//
// File created by: Jeongnim Kim, jeongnim.kim@gmail.com, University of Illinois at Urbana-Champaign
//////////////////////////////////////////////////////////////////////////////////////


#ifndef QMCPLUSPLUS_TOOLS_GAUSSIAN_FCHK_H
#define QMCPLUSPLUS_TOOLS_GAUSSIAN_FCHK_H
#include "QMCTools/QMCGaussianParserBase.h"
#include <iostream>
#include <sstream>
#include <iomanip>
#include <vector>
#include "OhmmsPETE/TinyVector.h"
#include "OhmmsData/OhmmsElementBase.h"

class GaussianFCHKParser : public QMCGaussianParserBase, public OhmmsAsciiParser
{
public:
  GaussianFCHKParser();

  GaussianFCHKParser(int argc, char** argv);

  void parse(const std::string& fname) override;

  void getGeometry(std::istream& is);

  void getGaussianCenters(std::istream& is);
};
#endif