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Added one flavour rational ratios (unprec)

This commit is contained in:
Peter Boyle
2015-08-19 04:58:40 +01:00
parent 48db72259e
commit dd6bb73ee0
9 changed files with 315 additions and 10 deletions

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@ -1,4 +1,4 @@
HFILES=./algorithms/approx/bigfloat.h ./algorithms/approx/bigfloat_double.h ./algorithms/approx/Chebyshev.h ./algorithms/approx/MultiShiftFunction.h ./algorithms/approx/Remez.h ./algorithms/approx/Zolotarev.h ./algorithms/CoarsenedMatrix.h ./algorithms/iterative/AdefGeneric.h ./algorithms/iterative/ConjugateGradient.h ./algorithms/iterative/ConjugateGradientMultiShift.h ./algorithms/iterative/ConjugateResidual.h ./algorithms/iterative/NormalEquations.h ./algorithms/iterative/PrecConjugateResidual.h ./algorithms/iterative/PrecGeneralisedConjugateResidual.h ./algorithms/iterative/SchurRedBlack.h ./algorithms/LinearOperator.h ./algorithms/Preconditioner.h ./algorithms/SparseMatrix.h ./Algorithms.h ./AlignedAllocator.h ./cartesian/Cartesian_base.h ./cartesian/Cartesian_full.h ./cartesian/Cartesian_red_black.h ./Cartesian.h ./communicator/Communicator_base.h ./Communicator.h ./Config.h ./cshift/Cshift_common.h ./cshift/Cshift_mpi.h ./cshift/Cshift_none.h ./Cshift.h ./Grid.h ./Init.h ./lattice/Lattice_arith.h ./lattice/Lattice_base.h ./lattice/Lattice_comparison.h ./lattice/Lattice_comparison_utils.h ./lattice/Lattice_conformable.h ./lattice/Lattice_coordinate.h ./lattice/Lattice_ET.h ./lattice/Lattice_local.h ./lattice/Lattice_overload.h ./lattice/Lattice_peekpoke.h ./lattice/Lattice_reality.h ./lattice/Lattice_reduction.h ./lattice/Lattice_rng.h ./lattice/Lattice_trace.h ./lattice/Lattice_transfer.h ./lattice/Lattice_transpose.h ./lattice/Lattice_unary.h ./lattice/Lattice_where.h ./Lattice.h ./Log.h ./MacroMagic.h ./Old/Tensor_peek.h ./Old/Tensor_poke.h ./parallelIO/NerscIO.h ./qcd/action/ActionBase.h ./qcd/action/Actions.h ./qcd/action/fermion/CayleyFermion5D.h ./qcd/action/fermion/ContinuedFractionFermion5D.h ./qcd/action/fermion/DomainWallFermion.h ./qcd/action/fermion/FermionOperator.h ./qcd/action/fermion/FermionOperatorImpl.h ./qcd/action/fermion/g5HermitianLinop.h ./qcd/action/fermion/MobiusFermion.h ./qcd/action/fermion/MobiusZolotarevFermion.h ./qcd/action/fermion/OverlapWilsonCayleyTanhFermion.h ./qcd/action/fermion/OverlapWilsonCayleyZolotarevFermion.h ./qcd/action/fermion/OverlapWilsonContfracTanhFermion.h ./qcd/action/fermion/OverlapWilsonContfracZolotarevFermion.h ./qcd/action/fermion/OverlapWilsonPartialFractionTanhFermion.h ./qcd/action/fermion/OverlapWilsonPartialFractionZolotarevFermion.h ./qcd/action/fermion/PartialFractionFermion5D.h ./qcd/action/fermion/ScaledShamirFermion.h ./qcd/action/fermion/ShamirZolotarevFermion.h ./qcd/action/fermion/WilsonCompressor.h ./qcd/action/fermion/WilsonFermion.h ./qcd/action/fermion/WilsonFermion5D.h ./qcd/action/fermion/WilsonKernels.h ./qcd/action/gauge/WilsonGaugeAction.h ./qcd/action/pseudofermion/EvenOddSchurDifferentiable.h ./qcd/action/pseudofermion/TwoFlavour.h ./qcd/action/pseudofermion/TwoFlavourEvenOdd.h ./qcd/action/pseudofermion/TwoFlavourEvenOddRatio.h ./qcd/action/pseudofermion/TwoFlavourRatio.h ./qcd/hmc/HMC.h ./qcd/hmc/integrators/Integrator.h ./qcd/hmc/integrators/Integrator_algorithm.h ./qcd/QCD.h ./qcd/spin/Dirac.h ./qcd/spin/TwoSpinor.h ./qcd/utils/CovariantCshift.h ./qcd/utils/LinalgUtils.h ./qcd/utils/SpaceTimeGrid.h ./qcd/utils/SUn.h ./qcd/utils/WilsonLoops.h ./simd/Grid_avx.h ./simd/Grid_avx512.h ./simd/Grid_empty.h ./simd/Grid_neon.h ./simd/Grid_qpx.h ./simd/Grid_sse4.h ./simd/Grid_vector_types.h ./simd/Grid_vector_unops.h ./Simd.h ./stencil/Lebesgue.h ./Stencil.h ./tensors/Tensor_arith.h ./tensors/Tensor_arith_add.h ./tensors/Tensor_arith_mac.h ./tensors/Tensor_arith_mul.h ./tensors/Tensor_arith_scalar.h ./tensors/Tensor_arith_sub.h ./tensors/Tensor_class.h ./tensors/Tensor_determinant.h ./tensors/Tensor_exp.h ./tensors/Tensor_extract_merge.h ./tensors/Tensor_index.h ./tensors/Tensor_inner.h ./tensors/Tensor_logical.h ./tensors/Tensor_outer.h ./tensors/Tensor_reality.h ./tensors/Tensor_Ta.h ./tensors/Tensor_trace.h ./tensors/Tensor_traits.h ./tensors/Tensor_transpose.h ./tensors/Tensor_unary.h ./Tensors.h ./Threads.h ./Timer.h
HFILES=./algorithms/approx/bigfloat.h ./algorithms/approx/bigfloat_double.h ./algorithms/approx/Chebyshev.h ./algorithms/approx/MultiShiftFunction.h ./algorithms/approx/Remez.h ./algorithms/approx/Zolotarev.h ./algorithms/CoarsenedMatrix.h ./algorithms/iterative/AdefGeneric.h ./algorithms/iterative/ConjugateGradient.h ./algorithms/iterative/ConjugateGradientMultiShift.h ./algorithms/iterative/ConjugateResidual.h ./algorithms/iterative/NormalEquations.h ./algorithms/iterative/PrecConjugateResidual.h ./algorithms/iterative/PrecGeneralisedConjugateResidual.h ./algorithms/iterative/SchurRedBlack.h ./algorithms/LinearOperator.h ./algorithms/Preconditioner.h ./algorithms/SparseMatrix.h ./Algorithms.h ./AlignedAllocator.h ./cartesian/Cartesian_base.h ./cartesian/Cartesian_full.h ./cartesian/Cartesian_red_black.h ./Cartesian.h ./communicator/Communicator_base.h ./Communicator.h ./Config.h ./cshift/Cshift_common.h ./cshift/Cshift_mpi.h ./cshift/Cshift_none.h ./Cshift.h ./Grid.h ./Init.h ./lattice/Lattice_arith.h ./lattice/Lattice_base.h ./lattice/Lattice_comparison.h ./lattice/Lattice_comparison_utils.h ./lattice/Lattice_conformable.h ./lattice/Lattice_coordinate.h ./lattice/Lattice_ET.h ./lattice/Lattice_local.h ./lattice/Lattice_overload.h ./lattice/Lattice_peekpoke.h ./lattice/Lattice_reality.h ./lattice/Lattice_reduction.h ./lattice/Lattice_rng.h ./lattice/Lattice_trace.h ./lattice/Lattice_transfer.h ./lattice/Lattice_transpose.h ./lattice/Lattice_unary.h ./lattice/Lattice_where.h ./Lattice.h ./Log.h ./MacroMagic.h ./Old/Tensor_peek.h ./Old/Tensor_poke.h ./parallelIO/NerscIO.h ./qcd/action/ActionBase.h ./qcd/action/ActionParams.h ./qcd/action/Actions.h ./qcd/action/fermion/CayleyFermion5D.h ./qcd/action/fermion/ContinuedFractionFermion5D.h ./qcd/action/fermion/DomainWallFermion.h ./qcd/action/fermion/FermionOperator.h ./qcd/action/fermion/FermionOperatorImpl.h ./qcd/action/fermion/g5HermitianLinop.h ./qcd/action/fermion/MobiusFermion.h ./qcd/action/fermion/MobiusZolotarevFermion.h ./qcd/action/fermion/OverlapWilsonCayleyTanhFermion.h ./qcd/action/fermion/OverlapWilsonCayleyZolotarevFermion.h ./qcd/action/fermion/OverlapWilsonContfracTanhFermion.h ./qcd/action/fermion/OverlapWilsonContfracZolotarevFermion.h ./qcd/action/fermion/OverlapWilsonPartialFractionTanhFermion.h ./qcd/action/fermion/OverlapWilsonPartialFractionZolotarevFermion.h ./qcd/action/fermion/PartialFractionFermion5D.h ./qcd/action/fermion/ScaledShamirFermion.h ./qcd/action/fermion/ShamirZolotarevFermion.h ./qcd/action/fermion/WilsonCompressor.h ./qcd/action/fermion/WilsonFermion.h ./qcd/action/fermion/WilsonFermion5D.h ./qcd/action/fermion/WilsonKernels.h ./qcd/action/gauge/WilsonGaugeAction.h ./qcd/action/pseudofermion/EvenOddSchurDifferentiable.h ./qcd/action/pseudofermion/OneFlavourEvenOddRational.h ./qcd/action/pseudofermion/OneFlavourRational.h ./qcd/action/pseudofermion/OneFlavourRationalRatio.h ./qcd/action/pseudofermion/TwoFlavour.h ./qcd/action/pseudofermion/TwoFlavourEvenOdd.h ./qcd/action/pseudofermion/TwoFlavourEvenOddRatio.h ./qcd/action/pseudofermion/TwoFlavourRatio.h ./qcd/hmc/HMC.h ./qcd/hmc/integrators/Integrator.h ./qcd/hmc/integrators/Integrator_algorithm.h ./qcd/QCD.h ./qcd/spin/Dirac.h ./qcd/spin/TwoSpinor.h ./qcd/utils/CovariantCshift.h ./qcd/utils/LinalgUtils.h ./qcd/utils/SpaceTimeGrid.h ./qcd/utils/SUn.h ./qcd/utils/WilsonLoops.h ./simd/Grid_avx.h ./simd/Grid_avx512.h ./simd/Grid_empty.h ./simd/Grid_neon.h ./simd/Grid_qpx.h ./simd/Grid_sse4.h ./simd/Grid_vector_types.h ./simd/Grid_vector_unops.h ./Simd.h ./stencil/Lebesgue.h ./Stencil.h ./tensors/Tensor_arith.h ./tensors/Tensor_arith_add.h ./tensors/Tensor_arith_mac.h ./tensors/Tensor_arith_mul.h ./tensors/Tensor_arith_scalar.h ./tensors/Tensor_arith_sub.h ./tensors/Tensor_class.h ./tensors/Tensor_determinant.h ./tensors/Tensor_exp.h ./tensors/Tensor_extract_merge.h ./tensors/Tensor_index.h ./tensors/Tensor_inner.h ./tensors/Tensor_logical.h ./tensors/Tensor_outer.h ./tensors/Tensor_reality.h ./tensors/Tensor_Ta.h ./tensors/Tensor_trace.h ./tensors/Tensor_traits.h ./tensors/Tensor_transpose.h ./tensors/Tensor_unary.h ./Tensors.h ./Threads.h ./Timer.h
CCFILES=./algorithms/approx/MultiShiftFunction.cc ./algorithms/approx/Remez.cc ./algorithms/approx/Zolotarev.cc ./Init.cc ./Log.cc ./qcd/action/fermion/CayleyFermion5D.cc ./qcd/action/fermion/ContinuedFractionFermion5D.cc ./qcd/action/fermion/PartialFractionFermion5D.cc ./qcd/action/fermion/WilsonFermion.cc ./qcd/action/fermion/WilsonFermion5D.cc ./qcd/action/fermion/WilsonKernels.cc ./qcd/action/fermion/WilsonKernelsHand.cc ./qcd/hmc/HMC.cc ./qcd/hmc/integrators/Integrator.cc ./qcd/spin/Dirac.cc ./qcd/utils/SpaceTimeGrid.cc ./stencil/Lebesgue.cc ./stencil/Stencil_common.cc

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@ -27,6 +27,8 @@ public:
if ( inverse ) remez.getIPFE (&residues[0],&poles[0],&norm);
else remez.getPFE (&residues[0],&poles[0],&norm);
}
// Allow deferred initialisation
MultiShiftFunction(void){};
MultiShiftFunction(AlgRemez & remez,double tol,bool inverse)
{
Init(remez,tol,inverse);

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@ -27,10 +27,14 @@ public:
void operator() (LinearOperatorBase<Field> &Linop, const Field &src, Field &psi)
{
GridBase *grid = src._grid;
int nshift = shifts.order;
std::vector<Field> results(nshift,grid);
(*this)(Linop,src,results,psi);
}
void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector<Field> &results, Field &psi)
{
int nshift = shifts.order;
(*this)(Linop,src,results);

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@ -14,11 +14,14 @@ namespace QCD {
struct OneFlavourRationalParams {
RealD lo;
RealD hi;
int precision=64;
int degree=10;
int MaxIter; // Vector?
RealD tolerance; // Vector?
RealD MaxIter; // Vector?
OneFlavourRationalParams (RealD lo,RealD hi,int precision=64,int degree = 10);
int degree=10;
int precision=64;
OneFlavourRationalParams (RealD _lo,RealD _hi,int _maxit,RealD tol=1.0e-8,int _degree = 10,int _precision=64) :
lo(_lo), hi(_hi), MaxIter(_maxit), tolerance(tol), degree(_degree), precision(_precision)
{};
};
}}

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@ -159,8 +159,8 @@ typedef DomainWallFermion<GparityWilsonImplD> GparityDomainWallFermionD;
//Todo: RHMC
#include <qcd/action/pseudofermion/OneFlavourRational.h>
//#include <qcd/action/pseudofermion/OneFlavourRationalRatio.h>
//#include <qcd/action/pseudofermion/OneFlavourEvenOddRational.h>
#include <qcd/action/pseudofermion/OneFlavourEvenOddRational.h>
#include <qcd/action/pseudofermion/OneFlavourRationalRatio.h>
//#include <qcd/action/pseudofermion/OneFlavourEvenOddRationalRatio.h>
#endif

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@ -0,0 +1,226 @@
#ifndef QCD_PSEUDOFERMION_ONE_FLAVOUR_RATIONAL_RATIO_H
#define QCD_PSEUDOFERMION_ONE_FLAVOUR_RATIONAL_RATIO_H
namespace Grid{
namespace QCD{
///////////////////////////////////////
// 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 void init(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);
};
};
}
}
#endif

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@ -62,9 +62,9 @@ namespace Grid{
pickCheckerboard(Even,etaEven,eta);
pickCheckerboard(Odd,etaOdd,eta);
FermOp.ImportGauge(U);
SchurDifferentiableOperator<Impl> PCop(FermOp);
FermOp.ImportGauge(U);
PCop.MpcDag(etaOdd,PhiOdd);