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";
}
}
}
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());
}
/// 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();
}
}