lcm_4mn5fv_recursive.h

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// -*- C++ -*-
 
/*! @file
 * @brief Lat Col Mat 4th order 5 force calculation minimum norm integrator
 *
 * The 4th order 5 force calculation minimum norm integrator (velocity variant)
 * from the paper by Takaishi and deForcrand (eq 24-25). Made recursive through
 * replacing the Momentum update term with a subIntegrator call.
 */
 
#ifndef LCM_4MN5FV_RECURSIVE_H
#define LCM_4MN5FV_RECURSIVE_H
 
 
#include "chromabase.h"
#include "update/molecdyn/hamiltonian/abs_hamiltonian.h"
#include "update/molecdyn/integrator/abs_integrator.h"
#include "update/molecdyn/integrator/integrator_shared.h"
 
namespace Chroma 
{
 
  /*! @ingroup integrator */
  namespace LatColMat4MN5FVRecursiveIntegratorEnv 
  {
    extern const std::string name;
    bool registerAll();
  }
 
 
  /*! @ingroup integrator */
  struct  LatColMat4MN5FVRecursiveIntegratorParams
  {
    LatColMat4MN5FVRecursiveIntegratorParams();
    LatColMat4MN5FVRecursiveIntegratorParams(XMLReader& xml, const std::string& path);
    int  n_steps;
    Real theta;
    Real rho;
    Real lambda;
    Real mu;
 
    multi1d<std::string> monomial_ids;
    std::string subintegrator_xml;
  };
 
  /*! @ingroup integrator */
  void read(XMLReader& xml_in, 
            const std::string& path,
            LatColMat4MN5FVRecursiveIntegratorParams& p);
 
  /*! @ingroup integrator */
  void write(XMLWriter& xml_out,
             const std::string& path, 
             const LatColMat4MN5FVRecursiveIntegratorParams& p);
 
  //! MD integrator interface for 4th order 5 Force Min. Norm. Integrator (Velocity variant)
  /*! @ingroup integrator
   *  Specialised to multi1d<LatticeColorMatrix>
   */
  class LatColMat4MN5FVRecursiveIntegrator 
    : public AbsRecursiveIntegrator<multi1d<LatticeColorMatrix>,
                                    multi1d<LatticeColorMatrix> > 
  {
  public:
    
    // Construct from params struct and Hamiltonian
    LatColMat4MN5FVRecursiveIntegrator(
               const LatColMat4MN5FVRecursiveIntegratorParams& p
          )  : params(p), SubIntegrator(IntegratorShared::createSubIntegrator(p.subintegrator_xml)) {
      IntegratorShared::bindMonomials(p.monomial_ids, monomials);
    }
 
 
    // Copy constructor
    LatColMat4MN5FVRecursiveIntegrator(const LatColMat4MN5FVRecursiveIntegrator& l) :
      params(l.params), monomials(l.monomials), SubIntegrator(l.SubIntegrator) {}
 
    // ! Destruction is automagic
    ~LatColMat4MN5FVRecursiveIntegrator(void) {};
 
 
    void operator()( AbsFieldState<multi1d<LatticeColorMatrix>,
                                   multi1d<LatticeColorMatrix> >& s, 
                     const Real& traj_length) const;
                            
    AbsComponentIntegrator<multi1d<LatticeColorMatrix>,
                           multi1d<LatticeColorMatrix> >& getSubIntegrator() const {
      return (*SubIntegrator);
    }
 
  protected:
    //! Refresh fields in just this level
    void refreshFieldsThisLevel(AbsFieldState<multi1d<LatticeColorMatrix>,
                                multi1d<LatticeColorMatrix> >& s) const {
      for(int i=0; i < monomials.size(); i++) { 
        monomials[i].mon->refreshInternalFields(s);
      }
    }
 
    //! Reset Predictors in just this level
    void resetPredictorsThisLevel(void) const {
      for(int i=0; i < monomials.size(); ++i) {
        monomials[i].mon->resetPredictors();
      }
    }
 
  private:
    LatColMat4MN5FVRecursiveIntegratorParams params;
 
 
  multi1d< IntegratorShared::MonomialPair > monomials;
 
    Handle< AbsComponentIntegrator<multi1d<LatticeColorMatrix>,
                                   multi1d<LatticeColorMatrix> > > SubIntegrator;
                      
 
    
  };
 
}
 
 
#endif