ConfinementPotential.h 1.46 KB
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////////////////////////////////////////////////////////////////////////////////
//
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// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
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// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
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// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
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// ConfinementPotential.h
//
////////////////////////////////////////////////////////////////////////////////
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// $Id: ConfinementPotential.h,v 1.7 2008-09-08 15:56:18 fgygi Exp $
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#ifndef CONFINEMENTPOTENTIAL_H
#define CONFINEMENTPOTENTIAL_H

#include <valarray>
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class Basis;
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class ConfinementPotential
{
  private:
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  double ecuts_, facs_, sigmas_;
  const Basis& basis_;
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  std::valarray<double> fstress_, dfstress_;
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  public:
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  double facs(void) const { return facs_; }
  double sigmas(void) const { return sigmas_; }
  double ecuts(void) const { return ecuts_; }
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  const std::valarray<double>& fstress(void) const { return fstress_; }
  const std::valarray<double>& dfstress(void) const { return dfstress_; }
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  void update(void);
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  const Basis& basis() const { return basis_; }

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  ConfinementPotential(double ecuts, double facs, double sigmas,
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    const Basis& basis);
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  ~ConfinementPotential() {}
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};
#endif