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271 lines
8.7 KiB
C++
271 lines
8.7 KiB
C++
/*************************************************************************************
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Grid physics library, www.github.com/paboyle/Grid
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Source file: ./lib/qcd/hmc/HMC.h
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Copyright (C) 2015
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Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
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Author: Peter Boyle <paboyle@ph.ed.ac.uk>
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Author: neo <cossu@post.kek.jp>
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Author: paboyle <paboyle@ph.ed.ac.uk>
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This program is free software; you can redistribute it and/or modify
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it under the terms of the GNU General Public License as published by
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the Free Software Foundation; either version 2 of the License, or
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(at your option) any later version.
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This program is distributed in the hope that it will be useful,
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but WITHOUT ANY WARRANTY; without even the implied warranty of
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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GNU General Public License for more details.
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You should have received a copy of the GNU General Public License along
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with this program; if not, write to the Free Software Foundation, Inc.,
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51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
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See the full license in the file "LICENSE" in the top level distribution
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directory
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*************************************************************************************/
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/* END LEGAL */
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//--------------------------------------------------------------------
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/*! @file HMC.h
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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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*/
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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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namespace Grid {
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namespace QCD {
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struct HMCparameters: Serializable {
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GRID_SERIALIZABLE_CLASS_MEMBERS(HMCparameters,
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Integer, StartTrajectory,
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Integer, Trajectories, /* @brief Number of sweeps in this run */
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bool, MetropolisTest,
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Integer, NoMetropolisUntil,
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std::string, StartingType,
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IntegratorParameters, MD,
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)
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HMCparameters() {
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////////////////////////////// Default values
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MetropolisTest = true;
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NoMetropolisUntil = 10;
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StartTrajectory = 0;
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Trajectories = 10;
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StartingType = "HotStart";
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/////////////////////////////////
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}
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template <class ReaderClass >
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HMCparameters(Reader<ReaderClass> & TheReader){
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initialize(TheReader);
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}
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template < class ReaderClass >
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void initialize(Reader<ReaderClass> &TheReader){
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std::cout << "Reading HMC\n";
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read(TheReader, "HMC", *this);
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}
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void print_parameters() const {
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std::cout << GridLogMessage << "[HMC parameters] Trajectories : " << Trajectories << "\n";
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std::cout << GridLogMessage << "[HMC parameters] Start trajectory : " << StartTrajectory << "\n";
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std::cout << GridLogMessage << "[HMC parameters] Metropolis test (on/off): " << std::boolalpha << MetropolisTest << "\n";
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std::cout << GridLogMessage << "[HMC parameters] Thermalization trajs : " << NoMetropolisUntil << "\n";
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std::cout << GridLogMessage << "[HMC parameters] Starting type : " << StartingType << "\n";
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MD.print_parameters();
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}
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};
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template <class Field>
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class HmcObservable {
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public:
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virtual void TrajectoryComplete(int traj, Field &U, GridSerialRNG &sRNG,
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GridParallelRNG &pRNG) = 0;
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};
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// this is only defined for a gauge theory
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template <class Gimpl>
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class PlaquetteLogger : public HmcObservable<typename Gimpl::Field> {
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private:
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std::string Stem;
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public:
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INHERIT_GIMPL_TYPES(Gimpl);
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PlaquetteLogger(std::string cf) { Stem = cf; };
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void TrajectoryComplete(int traj, GaugeField &U, GridSerialRNG &sRNG,
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GridParallelRNG &pRNG) {
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std::string file;
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{
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std::ostringstream os;
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os << Stem << "." << traj;
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file = os.str();
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}
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std::ofstream of(file);
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RealD peri_plaq = WilsonLoops<PeriodicGimplR>::avgPlaquette(U);
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RealD peri_rect = WilsonLoops<PeriodicGimplR>::avgRectangle(U);
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RealD impl_plaq = WilsonLoops<Gimpl>::avgPlaquette(U);
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RealD impl_rect = WilsonLoops<Gimpl>::avgRectangle(U);
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of << traj << " " << impl_plaq << " " << impl_rect << " " << peri_plaq
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<< " " << peri_rect << std::endl;
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std::cout << GridLogMessage << "traj"
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<< " "
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<< "plaq "
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<< " "
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<< " rect "
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<< " "
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<< "peri_plaq"
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<< " "
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<< "peri_rect" << std::endl;
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std::cout << GridLogMessage << traj << " " << impl_plaq << " " << impl_rect
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<< " " << peri_plaq << " " << peri_rect << std::endl;
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}
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};
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template <class IntegratorType>
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class HybridMonteCarlo {
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private:
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const HMCparameters Params;
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typedef typename IntegratorType::Field Field;
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GridSerialRNG &sRNG; // Fixme: need a RNG management strategy.
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GridParallelRNG &pRNG; // Fixme: need a RNG management strategy.
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Field &Ucur;
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IntegratorType &TheIntegrator;
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std::vector<HmcObservable<Field> *> Observables;
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/////////////////////////////////////////////////////////
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// Metropolis step
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/////////////////////////////////////////////////////////
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bool metropolis_test(const RealD DeltaH) {
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RealD rn_test;
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RealD prob = std::exp(-DeltaH);
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random(sRNG, rn_test);
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std::cout << GridLogMessage
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<< "--------------------------------------------------\n";
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std::cout << GridLogMessage << "exp(-dH) = " << prob
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<< " Random = " << rn_test << "\n";
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std::cout << GridLogMessage
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<< "Acc. Probability = " << ((prob < 1.0) ? prob : 1.0) << "\n";
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if ((prob > 1.0) || (rn_test <= prob)) { // accepted
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std::cout << GridLogMessage << "Metropolis_test -- ACCEPTED\n";
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std::cout << GridLogMessage
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<< "--------------------------------------------------\n";
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return true;
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} else { // rejected
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std::cout << GridLogMessage << "Metropolis_test -- REJECTED\n";
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std::cout << GridLogMessage
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<< "--------------------------------------------------\n";
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return false;
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}
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}
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/////////////////////////////////////////////////////////
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// Evolution
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/////////////////////////////////////////////////////////
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RealD evolve_step(Field &U) {
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TheIntegrator.refresh(U, pRNG); // set U and initialize P and phi's
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RealD H0 = TheIntegrator.S(U); // initial state action
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std::streamsize current_precision = std::cout.precision();
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std::cout.precision(17);
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std::cout << GridLogMessage << "Total H before trajectory = " << H0 << "\n";
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std::cout.precision(current_precision);
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TheIntegrator.integrate(U);
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RealD H1 = TheIntegrator.S(U); // updated state action
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std::cout.precision(17);
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std::cout << GridLogMessage << "Total H after trajectory = " << H1
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<< " dH = " << H1 - H0 << "\n";
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std::cout.precision(current_precision);
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return (H1 - H0);
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}
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public:
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/////////////////////////////////////////
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// Constructor
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/////////////////////////////////////////
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HybridMonteCarlo(HMCparameters Pams, IntegratorType &_Int,
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GridSerialRNG &_sRNG, GridParallelRNG &_pRNG, Field &_U)
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: Params(Pams), TheIntegrator(_Int), sRNG(_sRNG), pRNG(_pRNG), Ucur(_U) {}
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~HybridMonteCarlo(){};
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void AddObservable(HmcObservable<Field> *obs) {
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Observables.push_back(obs);
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}
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void evolve(void) {
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Real DeltaH;
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Field Ucopy(Ucur._grid);
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Params.print_parameters();
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TheIntegrator.print_actions();
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// Actual updates (evolve a copy Ucopy then copy back eventually)
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unsigned int FinalTrajectory = Params.Trajectories + Params.NoMetropolisUntil + Params.StartTrajectory;
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for (int traj = Params.StartTrajectory; traj < FinalTrajectory; ++traj) {
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std::cout << GridLogMessage << "-- # Trajectory = " << traj << "\n";
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if (traj < Params.StartTrajectory + Params.NoMetropolisUntil) {
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std::cout << GridLogMessage << "-- Thermalization" << std::endl;
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}
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double t0=usecond();
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Ucopy = Ucur;
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DeltaH = evolve_step(Ucopy);
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bool accept = true;
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if (traj >= Params.StartTrajectory + Params.NoMetropolisUntil) {
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accept = metropolis_test(DeltaH);
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} else {
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std::cout << GridLogMessage << "Skipping Metropolis test" << std::endl;
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}
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if (accept) {
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Ucur = Ucopy;
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}
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double t1=usecond();
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std::cout << GridLogMessage << "Total time for trajectory (s): " << (t1-t0)/1e6 << std::endl;
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for (int obs = 0; obs < Observables.size(); obs++) {
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std::cout << GridLogDebug << "Observables # " << obs << std::endl;
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std::cout << GridLogDebug << "Observables total " << Observables.size() << std::endl;
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std::cout << GridLogDebug << "Observables pointer " << Observables[obs] << std::endl;
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Observables[obs]->TrajectoryComplete(traj + 1, Ucur, sRNG, pRNG);
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}
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std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::::" << std::endl;
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}
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}
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};
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} // QCD
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} // Grid
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#endif
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