CoordinationBase.h

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/* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
   Copyright (c) 2013 The plumed team
   (see the PEOPLE file at the root of the distribution for a list of names)

   See http://www.plumed-code.org for more information.

   This file is part of plumed, version 2.0.

   plumed is free software: you can redistribute it and/or modify
   it under the terms of the GNU Lesser General Public License as published by
   the Free Software Foundation, either version 3 of the License, or
   (at your option) any later version.

   plumed 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 Lesser General Public License for more details.

   You should have received a copy of the GNU Lesser General Public License
   along with plumed.  If not, see <http://www.gnu.org/licenses/>.
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
#ifndef __PLUMED_colvar_CoordinationBase_h
#define __PLUMED_colvar_CoordinationBase_h
#include "Colvar.h"

namespace PLMD{

class NeighborList;

namespace colvar{

class CoordinationBase : public Colvar {
  bool pbc;
  bool serial;
  NeighborList *nl;
  bool invalidateList;
  bool firsttime;
  
public:
  CoordinationBase(const ActionOptions&);
  ~CoordinationBase();
// active methods:
  virtual void calculate();
  virtual void prepare();
  virtual double pairing(double distance,double&dfunc,unsigned i,unsigned j)const=0;
  static void registerKeywords( Keywords& keys );
};

}
}
#endif