rpg/fts/montecarlo/RealMove.tpp

#ifndef RPG_REAL_MOVE_TPP
#define RPG_REAL_MOVE_TPP
 
/*
* 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 "RealMove.h"
#include "McMove.h" 
#include <rpg/fts/VecOpFts.h>
#include <prdc/cuda/VecOp.h>
#include <pscf/math/IntVec.h>
#include <util/param/ParamComposite.h>
#include <rpg/System.h>
 
namespace Pscf {
namespace Rpg {
 
   using namespace Util;
 
   /*
   * Constructor.
   */
   template <int D>
   RealMove<D>::RealMove(McSimulator<D>& simulator) 
    : McMove<D>(simulator),
      isAllocated_(false)
   { setClassName("RealMove"); }
 
   /*
   * Destructor, empty default implementation.
   */
   template <int D>
   RealMove<D>::~RealMove()
   {}
 
   /*
   * ReadParameters, empty default implementation.
   */
   template <int D>
   void RealMove<D>::readParameters(std::istream &in)
   {
      //Read the probability
      readProbability(in);
      // attampt move range [A, -A]
      read(in, "A", stepSize_);
   }
   
 
   template <int D>
   void RealMove<D>::setup()
   {
      McMove<D>::setup();
      const int nMonomer = system().mixture().nMonomer();
      const IntVec<D> dimensions = system().domain().mesh().dimensions();
      if (!isAllocated_){
         wFieldTmp_.allocate(nMonomer);
         randomField_.allocate(dimensions);
         for (int i = 0; i < nMonomer; ++i) {
            wFieldTmp_[i].allocate(dimensions);
         }
         isAllocated_ = true;
      }
   }
   
   /*
   * Attempt unconstrained move
   */
   template <int D>
   void RealMove<D>::attemptMove()
   {
      const int nMonomer = system().mixture().nMonomer();
      const int meshSize = system().domain().mesh().size();
 
      // For multi-component copolymer
      for (int i = 0; i < nMonomer; i++){
 
         // Generate random numbers between 0.0 and 1.0 from uniform dist.
         cudaRandom().uniform(randomField_);
 
         // Generate random numbers between [-stepSize_,stepSize_]
         VecOpFts::mcftsScale(randomField_, stepSize_);
 
         // Change the w field configuration
         VecOp::addVV(wFieldTmp_[i], system().w().rgrid(i), randomField_);
 
      }
 
      // set system r grid
      system().setWRGrid(wFieldTmp_);
 
   }
 
 
   /*
   * Trivial default implementation - do nothing
   */
   template <int D>
   void RealMove<D>::output()
   {}
   
   template<int D>
   void RealMove<D>::outputTimers(std::ostream& out)
   {
      out << "\n";
      out << "RealMove time contributions:\n";
      McMove<D>::outputTimers(out);
   }
 
}
}
#endif