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Shuhei's ComputeWilsonFlow main programme
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Peter Boyle
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HMC/ComputeWilsonFlow.cc
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238
HMC/ComputeWilsonFlow.cc
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/*************************************************************************************
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Grid physics library, www.github.com/paboyle/Grid
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Source file: HMC/ComputeWilsonFlow.cc
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Copyright (C) 2017
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Author: Guido Cossu <guido.cossu@ed.ac.uk>
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Author: Shuhei Yamamoto <syamamoto@bnl.gov>
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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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#include <Grid/Grid.h>
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#include <string>
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namespace Grid{
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struct WFParameters: Serializable {
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GRID_SERIALIZABLE_CLASS_MEMBERS(WFParameters,
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int, steps,
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double, step_size,
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int, meas_interval,
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double, maxTau, // for the adaptive algorithm
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int, meas_interval_density,
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std::string, path);
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template <class ReaderClass >
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WFParameters(Reader<ReaderClass>& Reader){
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read(Reader, "WilsonFlow", *this);
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}
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};
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struct ConfParameters: Serializable {
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GRID_SERIALIZABLE_CLASS_MEMBERS(ConfParameters,
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std::string, conf_path,
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std::string, conf_prefix,
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std::string, conf_smr_prefix,
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std::string, rng_prefix,
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int, StartConfiguration,
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int, EndConfiguration,
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int, Skip);
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template <class ReaderClass >
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ConfParameters(Reader<ReaderClass>& Reader){
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read(Reader, "Configurations", *this);
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}
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};
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}
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template <class T> void writeFile(T& in, std::string const fname){
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#ifdef HAVE_LIME
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// Ref: https://github.com/paboyle/Grid/blob/feature/scidac-wp1/tests/debug/Test_general_coarse_hdcg_phys48.cc#L111
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std::cout << Grid::GridLogMessage << "Writes to: " << fname << std::endl;
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Grid::emptyUserRecord record;
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Grid::ScidacWriter WR(in.Grid()->IsBoss());
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WR.open(fname);
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WR.writeScidacFieldRecord(in,record,0);
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WR.close();
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#endif
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// What is the appropriate way to throw error?
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}
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int main(int argc, char **argv) {
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using namespace Grid;
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Grid_init(&argc, &argv);
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GridLogLayout();
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auto latt_size = GridDefaultLatt();
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auto simd_layout = GridDefaultSimd(Nd, vComplex::Nsimd());
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auto mpi_layout = GridDefaultMpi();
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GridCartesian Grid(latt_size, simd_layout, mpi_layout);
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std::vector<int> seeds({1, 2, 3, 4, 5});
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GridSerialRNG sRNG;
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GridParallelRNG pRNG(&Grid);
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pRNG.SeedFixedIntegers(seeds);
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LatticeGaugeField Umu(&Grid), Uflow(&Grid);
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typedef Grid::XmlReader Serialiser;
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Serialiser Reader("input.xml", false, "root");
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WFParameters WFPar(Reader);
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ConfParameters CPar(Reader);
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CheckpointerParameters CPPar(CPar.conf_path+CPar.conf_prefix, CPar.conf_path+CPar.conf_smr_prefix, CPar.conf_path+CPar.rng_prefix);
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NerscHmcCheckpointer<PeriodicGimplR> CPNersc(CPPar);
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for (int conf = CPar.StartConfiguration; conf <= CPar.EndConfiguration; conf+= CPar.Skip){
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CPNersc.CheckpointRestore(conf, Umu, sRNG, pRNG);
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std::cout << std::setprecision(15);
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std::cout << GridLogMessage << "Initial plaquette: "<< WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu) << std::endl;
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std::string file_pre = WFPar.path;
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std::string file_post = CPar.conf_prefix + "." + std::to_string(conf);
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WilsonFlow<PeriodicGimplR> WF(WFPar.step_size,WFPar.steps,WFPar.meas_interval);
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WF.addMeasurement(WFPar.meas_interval_density, [&file_pre,&file_post,&conf](int step, RealD t, const typename PeriodicGimplR::GaugeField &U){
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typedef typename PeriodicGimplR::GaugeLinkField GaugeMat;
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typedef typename PeriodicGimplR::ComplexField ComplexField;
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assert(Nd == 4);
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// NOTE:
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// Ideally, turn the folloing into methods of the appropriate class
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///////////// Compute Energy Density via Clover Leaf /////////////////////////////////////////////////
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///// Taken from qcd/smearing/WilsonFlow.h
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// For plq, use static sitePlaquette from class WilsonLoops in Grid/qcd/utils/WilsonLoops.h and divide it by #faces=(1.0 * Nd * (Nd - 1)) / 2.0, ncol=3
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//E = 1/2 tr( F_munu F_munu )
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//However as F_numu = -F_munu, only need to sum the trace of the squares of the following 6 field strengths:
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//F_01 F_02 F_03 F_12 F_13 F_23
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GaugeMat F(U.Grid());
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//LatticeComplexD R(U.Grid());
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ComplexField R(U.Grid());
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R = Zero();
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for(int mu=0;mu<3;mu++){
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for(int nu=mu+1;nu<4;nu++){
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WilsonLoops<PeriodicGimplR>::FieldStrength(F, U, mu, nu);
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R = R + trace(F*F);
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}
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}
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R = (-1.0) * R;
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//// Taken from qcd/utils/WilsonLoops.h
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// Bx = -iF(y,z), By = -iF(z,y), Bz = -iF(x,y)
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GaugeMat Bx(U.Grid()), By(U.Grid()), Bz(U.Grid());
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WilsonLoops<PeriodicGimplR>::FieldStrength(Bx, U, Ydir, Zdir);
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WilsonLoops<PeriodicGimplR>::FieldStrength(By, U, Zdir, Xdir);
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WilsonLoops<PeriodicGimplR>::FieldStrength(Bz, U, Xdir, Ydir);
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// Ex = -iF(t,x), Ey = -iF(t,y), Ez = -iF(t,z)
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GaugeMat Ex(U.Grid()), Ey(U.Grid()), Ez(U.Grid());
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WilsonLoops<PeriodicGimplR>::FieldStrength(Ex, U, Tdir, Xdir);
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WilsonLoops<PeriodicGimplR>::FieldStrength(Ey, U, Tdir, Ydir);
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WilsonLoops<PeriodicGimplR>::FieldStrength(Ez, U, Tdir, Zdir);
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double coeff = 8.0/(32.0*M_PI*M_PI);
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ComplexField qfield = coeff*trace(Bx*Ex + By*Ey + Bz*Ez);
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//ComplexField qfield Plq(U.Grid());
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//WilsonLoops<PeriodicGimplR>::sitePlaquette(Plq, U);
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//double coeff = 2.0 / (1.0 * Nd * (Nd - 1)) / 3.0;
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//Plq = coeff * Plq;
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int tau = std::round(t);
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std::string efile = file_pre + "E_dnsty_" + std::to_string(tau) + "_" + file_post;
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writeFile(R,efile);
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std::string tfile = file_pre + "Top_dnsty_" + std::to_string(tau) + "_" + file_post;
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writeFile(qfield,tfile);
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RealD E = real(sum(R))/ RealD(U.Grid()->gSites());
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RealD T = real( sum(qfield) );
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Coordinate scoor; for (int mu=0; mu < Nd; mu++) scoor[mu] = 0;
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RealD E0 = real(peekSite(R,scoor));
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RealD T0 = real(peekSite(qfield,scoor));
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std::cout << GridLogMessage << "[WilsonFlow] Saved energy density (clover) & topo. charge density: " << conf << " " << step << " " << tau << " "
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<< "(E_avg,T_sum) " << E << " " << T << " (E, T at origin) " << E0 << " " << T0 << std::endl;
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});
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int t=WFPar.maxTau;
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WF.smear(Uflow, Umu);
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RealD WFlow_plaq = WilsonLoops<PeriodicGimplR>::avgPlaquette(Uflow);
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RealD WFlow_TC = WilsonLoops<PeriodicGimplR>::TopologicalCharge(Uflow);
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RealD WFlow_T0 = WF.energyDensityPlaquette(t,Uflow); // t
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RealD WFlow_EC = WF.energyDensityCloverleaf(t,Uflow);
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std::cout << GridLogMessage << "Plaquette "<< conf << " " << WFlow_plaq << std::endl;
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std::cout << GridLogMessage << "T0 "<< conf << " " << WFlow_T0 << std::endl;
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std::cout << GridLogMessage << "TC0 "<< conf << " " << WFlow_EC << std::endl;
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std::cout << GridLogMessage << "TopologicalCharge "<< conf << " " << WFlow_TC << std::endl;
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std::cout<< GridLogMessage << " Admissibility check:\n";
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const double sp_adm = 0.067; // admissible threshold
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const double pl_adm = 1.0-sp_adm/Nc;
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std::cout << GridLogMessage << " (pl_adm =" << pl_adm << ")\n";
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// Need min and reduce min for this function
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//double sp_max = NC_*(1.0-stpl.plaq_min(U,pl_adm));
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double sp_ave = Nc*(1.0-WFlow_plaq);
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//std::cout<< GridLogMessage << " sp_max = " << sp_max <<"\n";
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std::cout<< GridLogMessage << " sp_ave = " << sp_ave <<"\n";
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std::cout<< GridLogMessage << " (sp_admissible = "<< sp_adm <<")\n";
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//std::cout<< GridLogMessage << " sp_admissible - sp_max = "<<sp_adm-sp_max <<"\n";
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std::cout<< GridLogMessage << " sp_admissible - sp_ave = "<<sp_adm-sp_ave <<"\n";
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}
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Grid_finalize();
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} // main
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/*
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Input file example
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JSON
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{
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"WilsonFlow":{
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"steps": 200,
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"step_size": 0.01,
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"meas_interval": 50,
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"maxTau": 2.0
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},
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"Configurations":{
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"conf_prefix": "ckpoint_lat",
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"rng_prefix": "ckpoint_rng",
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"StartConfiguration": 3000,
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"EndConfiguration": 3000,
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"Skip": 5
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}
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}
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*/
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