Esempio n. 1
0
void print_local(madness::World& world, const std::shared_ptr<TiledArray::Pmap>& pmap) {
  for(ProcessID r = 0; r < world.size(); ++r) {
    world.gop.fence();
    if(r == world.rank()) {
      std::cout << r << ": { ";
      for(TiledArray::Pmap::const_iterator it = pmap->begin(); it != pmap->end(); ++it)
        std::cout << *it << " ";
      std::cout << "}\n";
    }
  }
}
Esempio n. 2
0
void MPQCInit::init_io(const madness::World &top_world) {
  std::setlocale(LC_ALL, "en_US.UTF-8");
  std::cout << std::setprecision(std::numeric_limits<double>::max_digits10);
  std::cerr << std::setprecision(std::numeric_limits<double>::max_digits10);
  FormIO::setindent(ExEnv::outn(), 2);
  FormIO::setindent(ExEnv::errn(), 2);
  FormIO::setindent(std::cout, 2);
  FormIO::setindent(std::cerr, 2);
  FormIO::set_printnode(0);
  if (top_world.size() > 1) FormIO::init_mp(top_world.rank());
}
Esempio n. 3
0
/// iTEBD for real-time evolution on spin-1/2 1D-Heisenberg model
void iTEBD_real (
      madness::World& world,
      double J, double Jz, double Hz, double dt, size_t nStep, int M_spin, size_t M_state, double tole)
{
  if(world.rank() == 0) {
    std::cout << "\tJ  = " << std::fixed << std::setw(6) << std::setprecision(2) << J  << std::endl;
    std::cout << "\tJz = " << std::fixed << std::setw(6) << std::setprecision(2) << Jz << std::endl;
    std::cout << "\tHz = " << std::fixed << std::setw(6) << std::setprecision(2) << Hz << std::endl;

//  std::cout << "\t# spin  = " << std::setw(8) << M_spin  << std::endl;
//  std::cout << "\t# state = " << std::setw(8) << M_state << std::endl;
  }

  // initializing MPS

  std::vector<int> qA, qB;

  std::vector<double> lambdaA, lambdaB;

  MPS<double> mpsA_real, mpsA_imag, mpsB_real, mpsB_imag;

  // NOTE: wfn(A-B) = lambdaB * mpsA * lambdaA * mpsB * lambdaB
  //       wfn(B-A) = lambdaA * mpsB * lambdaB * mpsA * lambdaA

  if(world.rank() == 0) std::cout << "\tInitializing MPS..." << std::endl;

  // perform initial wave as anti-ferro state like -[+1/2]-[-1/2]-

  MPS_init_AntiFerro(world,qA,lambdaA,mpsA_real,mpsA_imag,qB,lambdaB,mpsB_real,mpsB_imag);

  if(world.rank() == 0) {
    std::cout << "\t\tqA = "; for(size_t i = 0; i < qA.size(); ++i) std::cout << std::setw(4) << qA[i];
    std::cout << " [ " << lambdaA.size() << " ] " << std::endl;
    std::cout << "\t\tqB = "; for(size_t i = 0; i < qB.size(); ++i) std::cout << std::setw(4) << qB[i];
    std::cout << " [ " << lambdaB.size() << " ] " << std::endl;
  }

  // real time-evolution

  double E = 0.0;

  const size_t print_freq = 1;

  if(world.rank() == 0) {
    std::cout << "\tStarting real time-evolution :: T = "
              << std::fixed << std::setw(12) << std::setprecision(6) << nStep*dt
              << ", dt = " << std::fixed << std::setw(12) << std::setprecision(6) << dt << std::endl;
    std::cout << "----------------------------------------------------------------" << std::endl;
  }

  for(size_t t = 0; t < nStep; ++t) {
    // exp(-ht) acting on A-B
    E = realEvolve(world,qA,lambdaA,mpsA_real,mpsA_imag,qB,lambdaB,mpsB_real,mpsB_imag,J,Jz,Hz,dt,tole);

    if(world.rank() == 0 && t % print_freq == 0) {
      std::cout << "\tA-B step [" << std::setw(6) << t << "] :: "
                << std::fixed << std::setw(12) << std::setprecision(8) << E << std::endl;
      printQuanta(qA,mpsA_real.matrix_u.trange().data()[1]);
      std::cout << "----------------------------------------------------------------" << std::endl;
    }

    world.gop.fence();

    // exp(-ht) acting on B-A
    E = realEvolve(world,qB,lambdaB,mpsB_real,mpsB_imag,qA,lambdaA,mpsA_real,mpsA_imag,J,Jz,Hz,dt,tole);

    if(world.rank() == 0 && t % print_freq == 0) {
      std::cout << "\tB-A step [" << std::setw(6) << t << "] :: "
                << std::fixed << std::setw(12) << std::setprecision(8) << E << std::endl;
      printQuanta(qB,mpsB_real.matrix_u.trange().data()[1]);
      std::cout << "----------------------------------------------------------------" << std::endl;
    }

    world.gop.fence();
  }
}