rpc/fts/perturbation/Perturbation.tpp

#ifndef RPC_PERTURBATION_TPP
#define RPC_PERTURBATION_TPP
 
#include "Perturbation.h"
#include <rpc/fts/simulator/Simulator.h>
#include <prdc/cpu/RField.h>
 
#include <util/containers/DArray.h>
#include <util/global.h>
 
namespace Pscf {
namespace Rpc {
 
   using namespace Util;
 
   /* 
   * Constructor.
   */
   template <int D>
   Perturbation<D>::Perturbation(Simulator<D>& simulator)
    : ParamComposite(),
      lambda_(1.0),
      simulatorPtr_(&simulator),
      systemPtr_(&(simulator.system()))
   {}
 
   /* 
   * Destructor.
   */
   template <int D>
   Perturbation<D>::~Perturbation()
   {}
 
   /*
   * Read parameters from stream, empty default implementation.
   */
   template <int D>
   void Perturbation<D>::readParameters(std::istream& in)
   {}
 
   /*
   * Setup before simulation, empty default implementation.
   */
   template <int D>
   void Perturbation<D>::setup()
   {}
 
   /*
   * Compute and return perturbation, default implementation.
   */
   template <int D>
   double Perturbation<D>::hamiltonian(double unperturbedHamiltonian)
   {  return 0.0; }
 
   /*
   * Modify functional derivatives, empty default implementation.
   */
   template <int D>
   void Perturbation<D>::incrementDc(DArray< RField<D> > & dc)
   {}
 
   /*
   * Save any internal variables.
   */
   template <int D>
   void Perturbation<D>::saveState()
   {}
 
   /*
   * Restored any saved internal variables.
   */
   template <int D>
   void Perturbation<D>::restoreState()
   {}
   
   /*
   * Compute and return derivative of free energy 
   */ 
   template <int D>
   double Perturbation<D>::df()
   { return 0.0; }
 
   /*
   * Set a new value for the lambda_ parameter.
   */
   template <int D>
   void Perturbation<D>::setLambda(double lambda)
   {  lambda_ = lambda; }
 
}
}
#endif