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Cleaning up files for HMC
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@ -1,15 +1,16 @@
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//--------------------------------------------------------------------
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/*! @file HMC.h
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* @brief Declaration of classes for Hybrid Monte Carlo update
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* @brief Classes for Hybrid Monte Carlo update
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*
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* @author Guido Cossu
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* Time-stamp: <2015-07-07 14:58:13 neo>
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*/
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//--------------------------------------------------------------------
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#ifndef HMC_INCLUDED
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#define HMC_INCLUDED
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#include <string>
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#include <memory>
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namespace Grid{
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namespace QCD{
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@ -20,7 +21,7 @@ namespace Grid{
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Integer ThermalizationSteps;
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Integer StartingConfig;
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Integer SaveInterval; //Setting to 0 does not save configurations
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std::string Filename_prefix; // To save configurations
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std::string Filename_prefix; // To save configurations and rng seed
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HMCparameters();
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};
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@ -49,8 +50,7 @@ namespace Grid{
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}
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}
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RealD evolve_step(LatticeLorentzColourMatrix& U){
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RealD evolve_step(LatticeGaugeField& U){
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MD.init(U); // set U and initialize P and phi's
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RealD H0 = MD.S(U); // initial state action
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std::cout<<"Total H before = "<< H0 << "\n";
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@ -74,9 +74,7 @@ namespace Grid{
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}
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~HybridMonteCarlo(){};
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void evolve(LatticeLorentzColourMatrix& Uin){
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void evolve(LatticeGaugeField& Uin){
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Real DeltaH;
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// Thermalizations
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@ -88,7 +86,7 @@ namespace Grid{
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}
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// Actual updates (evolve a copy Ucopy then copy back eventually)
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LatticeLorentzColourMatrix Ucopy(Uin._grid);
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LatticeGaugeField Ucopy(Uin._grid);
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for(int iter=Params.StartingConfig;
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iter < Params.Nsweeps+Params.StartingConfig; ++iter){
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std::cout << "-- # Sweep = "<< iter << "\n";
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@ -97,7 +95,8 @@ namespace Grid{
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DeltaH = evolve_step(Ucopy);
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if(metropolis_test(DeltaH)) Uin = Ucopy;
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//need sync?
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// here save config and RNG seed
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}
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}
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};
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@ -1,8 +1,9 @@
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//--------------------------------------------------------------------
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/*! @file Integrator.h
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* @brief Declaration of classes for the Molecular Dynamics integrator
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* @brief Classes for the Molecular Dynamics integrator
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*
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* @author Guido Cossu
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* Time-stamp: <2015-07-07 14:58:40 neo>
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*/
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//--------------------------------------------------------------------
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@ -16,7 +17,7 @@ class Observer;
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namespace Grid{
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namespace QCD{
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typedef Action<LatticeLorentzColourMatrix>* ActPtr; // now force the same colours as the rest of the code
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typedef Action<LatticeGaugeField>* ActPtr; // now force the same colours as the rest of the code
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struct ActionLevel{
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int multiplier;
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public:
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@ -43,8 +44,8 @@ namespace Grid{
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namespace MDutils{
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void generate_momenta(LatticeLorentzColourMatrix&,GridParallelRNG&);
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void generate_momenta_su3(LatticeLorentzColourMatrix&,GridParallelRNG&);
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void generate_momenta(LatticeGaugeField&,GridParallelRNG&);
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void generate_momenta_su3(LatticeGaugeField&,GridParallelRNG&);
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}
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/*! @brief Class for Molecular Dynamics management */
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@ -53,7 +54,7 @@ namespace Grid{
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private:
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IntegratorParameters Params;
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const ActionSet as;
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std::unique_ptr<LatticeLorentzColourMatrix> P;
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std::unique_ptr<LatticeGaugeField> P;
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GridParallelRNG pRNG;
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//ObserverList observers; // not yet
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@ -62,16 +63,16 @@ namespace Grid{
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void register_observers();
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void notify_observers();
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void update_P(LatticeLorentzColourMatrix&U, int level,double ep){
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void update_P(LatticeGaugeField&U, int level,double ep){
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for(int a=0; a<as[level].actions.size(); ++a){
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LatticeLorentzColourMatrix force(U._grid);
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LatticeGaugeField force(U._grid);
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as[level].actions.at(a)->deriv(U,force);
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*P -= force*ep;
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}
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}
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void update_U(LatticeLorentzColourMatrix&U, double ep){
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void update_U(LatticeGaugeField&U, double ep){
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//rewrite exponential to deal automatically with the lorentz index?
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LatticeColourMatrix Umu(U._grid);
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LatticeColourMatrix Pmu(U._grid);
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@ -86,13 +87,13 @@ namespace Grid{
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friend void IntegratorAlgorithm::step (LatticeLorentzColourMatrix& U,
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friend void IntegratorAlgorithm::step (LatticeGaugeField& U,
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int level, std::vector<int>& clock,
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Integrator<IntegratorAlgorithm>* Integ);
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public:
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Integrator(GridBase* grid, IntegratorParameters Par,
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ActionSet& Aset):
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Params(Par),as(Aset),P(new LatticeLorentzColourMatrix(grid)),pRNG(grid){
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Params(Par),as(Aset),P(new LatticeGaugeField(grid)),pRNG(grid){
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pRNG.SeedRandomDevice();
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};
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@ -100,7 +101,7 @@ namespace Grid{
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//Initialization of momenta and actions
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void init(LatticeLorentzColourMatrix& U){
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void init(LatticeGaugeField& U){
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std::cout<< "Integrator init\n";
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MDutils::generate_momenta(*P,pRNG);
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@ -113,7 +114,7 @@ namespace Grid{
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// Calculate action
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RealD S(LatticeLorentzColourMatrix& U){
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RealD S(LatticeGaugeField& U){
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LatticeComplex Hloc(U._grid);
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Hloc = zero;
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// Momenta
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@ -135,7 +136,7 @@ namespace Grid{
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return H;
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}
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void integrate(LatticeLorentzColourMatrix& U){
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void integrate(LatticeGaugeField& U){
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std::vector<int> clock;
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clock.resize(as.size(),0);
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for(int step=0; step< Params.MDsteps; ++step) // MD step
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