AmbdInteraction.h

#ifndef PSCF_AMBD_INTERACTION_H
#define PSCF_AMBD_INTERACTION_H
 
/*
* PSCF - Polymer Self-Consistent Field Theory
*
* Copyright 2016 - 2022, The Regents of the University of Minnesota
* Distributed under the terms of the GNU General Public License.
*/
 
#include <pscf/inter/Interaction.h>       // base class
#include <util/containers/Array.h>        // argument (template)
#include <util/containers/Matrix.h>       // argument (template)
#include <util/global.h>                  
 
namespace Pscf {
 
   using namespace Util;
 
   class AmbdInteraction 
   {
 
   public:
 
      AmbdInteraction();
 
      virtual ~AmbdInteraction();
 
      void setNMonomer(int nMonomer);
 
      void update(Interaction const & interaction);
 
      double chi(int i, int j) const;
 
      double chiInverse(int i, int j) const;
 
      double p(int i, int j) const; 
 
      double sumChiInverse() const;
 
      int nMonomer() const;
 
   private:
 
      // Symmetric matrix of interaction parameters (local copy).
      DMatrix<double> chi_;
 
      // Inverse of matrix chi_.
      DMatrix<double> chiInverse_;
 
      // Idempotent matrix P used in residual definition.
      DMatrix<double> p_;
 
      // Sum of elements of matrix chiInverse_
      double sumChiInverse_;
 
      int nMonomer_;
 
      bool isAllocated_;
 
   };
 
   // Inline function
 
   inline int AmbdInteraction::nMonomer() const
   {  return nMonomer_; }
 
   inline double AmbdInteraction::chi(int i, int j) const
   {  return chi_(i, j); }
 
   inline double AmbdInteraction::chiInverse(int i, int j) const
   {  return chiInverse_(i, j); }
 
   inline double AmbdInteraction::p(int i, int j) const
   {  return p_(i, j); }
 
   inline double AmbdInteraction::sumChiInverse() const
   {  return sumChiInverse_; }
 
} // namespace Pscf
#endif