Grid/lib/qcd/action/pseudofermion/OneFlavourRationalRatio.h

/*************************************************************************************

    Grid physics library, www.github.com/paboyle/Grid 

    Source file: ./lib/qcd/action/pseudofermion/OneFlavourRationalRatio.h

    Copyright (C) 2015

Author: Peter Boyle <paboyle@ph.ed.ac.uk>

    This program is free software; you can redistribute it and/or modify
    it under the terms of the GNU General Public License as published by
    the Free Software Foundation; either version 2 of the License, or
    (at your option) any later version.

    This program 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 General Public License for more details.

    You should have received a copy of the GNU General Public License along
    with this program; if not, write to the Free Software Foundation, Inc.,
    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.

    See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/*  END LEGAL */
#ifndef QCD_PSEUDOFERMION_ONE_FLAVOUR_RATIONAL_RATIO_H
#define QCD_PSEUDOFERMION_ONE_FLAVOUR_RATIONAL_RATIO_H

NAMESPACE_BEGIN(Grid);
  
///////////////////////////////////////
// One flavour rational
///////////////////////////////////////

// S_f = chi^dag* P(V^dag*V)/Q(V^dag*V)* N(M^dag*M)/D(M^dag*M)* P(V^dag*V)/Q(V^dag*V)* chi       
//
// Here P/Q \sim R_{1/4}  ~ (V^dagV)^{1/4}  
// Here N/D \sim R_{-1/2} ~ (M^dagM)^{-1/2}  
  
template<class Impl>
class OneFlavourRatioRationalPseudoFermionAction : public Action<typename Impl::GaugeField> {
public:

  INHERIT_IMPL_TYPES(Impl);

  typedef OneFlavourRationalParams Params;
  Params param;

  MultiShiftFunction PowerHalf   ;
  MultiShiftFunction PowerNegHalf;
  MultiShiftFunction PowerQuarter;
  MultiShiftFunction PowerNegQuarter;

private:
     
  FermionOperator<Impl> & NumOp;// the basic operator
  FermionOperator<Impl> & DenOp;// the basic operator
  FermionField Phi; // the pseudo fermion field for this trajectory

public:

  OneFlavourRatioRationalPseudoFermionAction(FermionOperator<Impl>  &_NumOp, 
					     FermionOperator<Impl>  &_DenOp, 
					     Params & p
					     ) : NumOp(_NumOp), DenOp(_DenOp), Phi(_NumOp.FermionGrid()), param(p) 
  {
    AlgRemez remez(param.lo,param.hi,param.precision);

    // MdagM^(+- 1/2)
    std::cout<<GridLogMessage << "Generating degree "<<param.degree<<" for x^(1/2)"<<std::endl;
    remez.generateApprox(param.degree,1,2);
    PowerHalf.Init(remez,param.tolerance,false);
    PowerNegHalf.Init(remez,param.tolerance,true);

    // MdagM^(+- 1/4)
    std::cout<<GridLogMessage << "Generating degree "<<param.degree<<" for x^(1/4)"<<std::endl;
    remez.generateApprox(param.degree,1,4);
    PowerQuarter.Init(remez,param.tolerance,false);
    PowerNegQuarter.Init(remez,param.tolerance,true);
  };

  virtual std::string action_name(){return "OneFlavourRatioRationalPseudoFermionAction";}
      
  virtual std::string LogParameters(){
    std::stringstream sstream;
    sstream << GridLogMessage << "["<<action_name()<<"] Low            :" << param.lo <<  std::endl;
    sstream << GridLogMessage << "["<<action_name()<<"] High           :" << param.hi <<  std::endl;
    sstream << GridLogMessage << "["<<action_name()<<"] Max iterations :" << param.MaxIter <<  std::endl;
    sstream << GridLogMessage << "["<<action_name()<<"] Tolerance      :" << param.tolerance <<  std::endl;
    sstream << GridLogMessage << "["<<action_name()<<"] Degree         :" << param.degree <<  std::endl;
    sstream << GridLogMessage << "["<<action_name()<<"] Precision      :" << param.precision <<  std::endl;
    return sstream.str();
  }
      

  virtual void refresh(const GaugeField &U, GridParallelRNG& pRNG) {

    // S_f = chi^dag* P(V^dag*V)/Q(V^dag*V)* N(M^dag*M)/D(M^dag*M)* P(V^dag*V)/Q(V^dag*V)* chi       
    //
    // P(phi) = e^{- phi^dag (VdagV)^1/4 (MdagM)^-1/2 (VdagV)^1/4 phi}
    //        = e^{- phi^dag  (VdagV)^1/4 (MdagM)^-1/4 (MdagM)^-1/4  (VdagV)^1/4 phi}
    //
    // Phi =  (VdagV)^-1/4 Mdag^{1/4} eta 
    //
    // P(eta) = e^{- eta^dag eta}
    //
    // e^{x^2/2 sig^2} => sig^2 = 0.5.
    // 
    // So eta should be of width sig = 1/sqrt(2).

    RealD scale = std::sqrt(0.5);

    FermionField tmp(NumOp.FermionGrid());
    FermionField eta(NumOp.FermionGrid());

    gaussian(pRNG,eta);

    NumOp.ImportGauge(U);
    DenOp.ImportGauge(U);

    // MdagM^1/4 eta
    MdagMLinearOperator<FermionOperator<Impl> ,FermionField> MdagM(DenOp);
    ConjugateGradientMultiShift<FermionField> msCG_M(param.MaxIter,PowerQuarter);
    msCG_M(MdagM,eta,tmp);

    // VdagV^-1/4 MdagM^1/4 eta
    MdagMLinearOperator<FermionOperator<Impl> ,FermionField> VdagV(NumOp);
    ConjugateGradientMultiShift<FermionField> msCG_V(param.MaxIter,PowerNegQuarter);
    msCG_V(VdagV,tmp,Phi);

    Phi=Phi*scale;
	
  };

  //////////////////////////////////////////////////////
  // S_f = chi^dag* P(V^dag*V)/Q(V^dag*V)* N(M^dag*M)/D(M^dag*M)* P(V^dag*V)/Q(V^dag*V)* chi       
  //////////////////////////////////////////////////////
  virtual RealD S(const GaugeField &U) {

    NumOp.ImportGauge(U);
    DenOp.ImportGauge(U);

    FermionField X(NumOp.FermionGrid());
    FermionField Y(NumOp.FermionGrid());

    // VdagV^1/4 Phi
    MdagMLinearOperator<FermionOperator<Impl> ,FermionField> VdagV(NumOp);
    ConjugateGradientMultiShift<FermionField> msCG_V(param.MaxIter,PowerQuarter);
    msCG_V(VdagV,Phi,X);

    // MdagM^-1/4 VdagV^1/4 Phi
    MdagMLinearOperator<FermionOperator<Impl> ,FermionField> MdagM(DenOp);
    ConjugateGradientMultiShift<FermionField> msCG_M(param.MaxIter,PowerNegQuarter);
    msCG_M(MdagM,X,Y);

    //  Phidag VdagV^1/4 MdagM^-1/4  MdagM^-1/4 VdagV^1/4 Phi
    RealD action = norm2(Y);

    return action;
  };

  // S_f = chi^dag* P(V^dag*V)/Q(V^dag*V)* N(M^dag*M)/D(M^dag*M)* P(V^dag*V)/Q(V^dag*V)* chi       
  //
  // Here, M is some 5D operator and V is the Pauli-Villars field
  // N and D makeup the rat. poly of the M term and P and & makeup the rat.poly of the denom term
  //
  // Need  
  // dS_f/dU =  chi^dag d[P/Q]  N/D   P/Q  chi 
  //         +  chi^dag   P/Q d[N/D]  P/Q  chi 
  //         +  chi^dag   P/Q   N/D d[P/Q] chi 
  //
  // P/Q is expressed as partial fraction expansion: 
  // 
  //           a0 + \sum_k ak/(V^dagV + bk) 
  //  
  // d[P/Q] is then  
  //
  //          \sum_k -ak [V^dagV+bk]^{-1}  [ dV^dag V + V^dag dV ] [V^dag V + bk]^{-1} 
  //  
  // and similar for N/D. 
  // 
  // Need   
  //       MpvPhi_k   = [Vdag V + bk]^{-1} chi  
  //       MpvPhi     = {a0 +  \sum_k ak [Vdag V + bk]^{-1} }chi   
  //   
  //       MfMpvPhi_k = [MdagM+bk]^{-1} MpvPhi  
  //       MfMpvPhi   = {a0 +  \sum_k ak [Mdag M + bk]^{-1} } MpvPhi
  // 
  //       MpvMfMpvPhi_k = [Vdag V + bk]^{-1} MfMpvchi   
  //  

  virtual void deriv(const GaugeField &U,GaugeField & dSdU) {

    const int n_f  = PowerNegHalf.poles.size();
    const int n_pv = PowerQuarter.poles.size();

    std::vector<FermionField> MpvPhi_k     (n_pv,NumOp.FermionGrid());
    std::vector<FermionField> MpvMfMpvPhi_k(n_pv,NumOp.FermionGrid());
    std::vector<FermionField> MfMpvPhi_k   (n_f,NumOp.FermionGrid());

    FermionField      MpvPhi(NumOp.FermionGrid());
    FermionField    MfMpvPhi(NumOp.FermionGrid());
    FermionField MpvMfMpvPhi(NumOp.FermionGrid());
    FermionField           Y(NumOp.FermionGrid());

    GaugeField   tmp(NumOp.GaugeGrid());

    NumOp.ImportGauge(U);
    DenOp.ImportGauge(U);

    MdagMLinearOperator<FermionOperator<Impl> ,FermionField> MdagM(DenOp);
    MdagMLinearOperator<FermionOperator<Impl> ,FermionField> VdagV(NumOp);

    ConjugateGradientMultiShift<FermionField> msCG_V(param.MaxIter,PowerQuarter);
    ConjugateGradientMultiShift<FermionField> msCG_M(param.MaxIter,PowerNegHalf);

    msCG_V(VdagV,Phi,MpvPhi_k,MpvPhi);
    msCG_M(MdagM,MpvPhi,MfMpvPhi_k,MfMpvPhi);
    msCG_V(VdagV,MfMpvPhi,MpvMfMpvPhi_k,MpvMfMpvPhi);

    RealD ak;

    dSdU = zero;

    // With these building blocks  
    //  
    //       dS/dU = 
    //                 \sum_k -ak MfMpvPhi_k^dag      [ dM^dag M + M^dag dM ] MfMpvPhi_k         (1)
    //             +   \sum_k -ak MpvMfMpvPhi_k^\dag  [ dV^dag V + V^dag dV ] MpvPhi_k           (2)
    //                        -ak MpvPhi_k^dag        [ dV^dag V + V^dag dV ] MpvMfMpvPhi_k      (3)

    //(1)
    for(int k=0;k<n_f;k++){
      ak = PowerNegHalf.residues[k];
      DenOp.M(MfMpvPhi_k[k],Y);
      DenOp.MDeriv(tmp , MfMpvPhi_k[k], Y,DaggerYes );  dSdU=dSdU+ak*tmp;
      DenOp.MDeriv(tmp , Y, MfMpvPhi_k[k], DaggerNo );  dSdU=dSdU+ak*tmp;
    }
	
    //(2)
    //(3)
    for(int k=0;k<n_pv;k++){

      ak = PowerQuarter.residues[k];
	  
      NumOp.M(MpvPhi_k[k],Y);
      NumOp.MDeriv(tmp,MpvMfMpvPhi_k[k],Y,DaggerYes); dSdU=dSdU+ak*tmp;
      NumOp.MDeriv(tmp,Y,MpvMfMpvPhi_k[k],DaggerNo);  dSdU=dSdU+ak*tmp;     
	  
      NumOp.M(MpvMfMpvPhi_k[k],Y);                // V as we take Ydag 
      NumOp.MDeriv(tmp,Y, MpvPhi_k[k], DaggerNo); dSdU=dSdU+ak*tmp;
      NumOp.MDeriv(tmp,MpvPhi_k[k], Y,DaggerYes); dSdU=dSdU+ak*tmp;

    }

    //dSdU = Ta(dSdU);

  };
};

NAMESPACE_END(Grid);

#endif