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VMPS++
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Definition at line 127 of file GreenPropagator.h.
#include <GreenPropagator.h>
Public Member Functions | |
| GreenPropagator () | |
| GreenPropagator (string label_input, double tmax_input, int Nt_input, int Ns_input=1, double wmin_input=-10., double wmax_input=10., int Nw_input=501, Q_RANGE Q_RANGE_CHOICE_input=MPI_PPI, int Nq_input=501, GREEN_INTEGRATION GREENINT=OOURA) | |
| void | set_Lcell (int Lcell_input) |
| GreenPropagator (string label_input, int Lcell_input, double tmax_input, const MatrixXcd &Gtx_input, GREEN_INTEGRATION GREENINT=OOURA) | |
| GreenPropagator (string label_input, int Lcell_input, int Ncells_input, int Ns_input, double tmax_input, const vector< vector< MatrixXcd > > &Gtx_input, Q_RANGE Q_RANGE_CHOICE_input=MPI_PPI, int Nq_input=501, GREEN_INTEGRATION GREENINT=OOURA) | |
| GreenPropagator (string label_input, int Lcell_input, int Ncells_input, int Ns_input, double tmax_input, const vector< string > &files, Q_RANGE Q_RANGE_CHOICE_input=MPI_PPI, int Nq_input=501, GREEN_INTEGRATION GREENINT=OOURA) | |
| void | compute_cell (const Hamiltonian &H, const vector< Mps< Symmetry, complex< double > > > &OxPhiBra, const vector< Mps< Symmetry, complex< double > > > &OxPhiKet, double Eg, bool TIME_FORWARDS=true, bool COUNTERPROPAGATE=true, int x0=0) |
| void | compute_one (int j0, const Hamiltonian &H, const vector< Mps< Symmetry, complex< double > > > &OxPhi, double Eg, bool TIME_FORWARDS=true) |
| void | compute_thermal_cell (const Hamiltonian &H, const vector< Mpo< Symmetry, MpoScalar > > &Odag, const Mps< Symmetry, complex< double > > &Phi, vector< Mps< Symmetry, complex< double > > > &OxPhi0, bool TIME_FORWARDS) |
| void | recalc_FTw (double wmin_new, double wmax_new, int Nw_new=501) |
| void | recalc_FTwCell (double wmin_new, double wmax_new, int Nw_new=501, bool TRANSPOSE=false) |
| void | set_measurement (const vector< Mpo< Symmetry, MpoScalar > > &Measure_input, int Lcell, int measure_interval_input=10, string measure_name_input="M", string measure_subfolder_input=".") |
| void | save (bool IGNORE_TX=false) const |
| void | save_GtqCell () const |
| double | integrate_Glocw_cell (double mu, int Nint=1000) |
| MatrixXcd | get_Gtx () const |
| vector< vector< MatrixXcd > > | get_GtxCell () const |
| vector< VectorXcd > | get_GlocwCell () const |
| void | set_verbosity (DMRG::VERBOSITY::OPTION VERBOSITY) |
| ArrayXcd | FTloc_tw (const VectorXcd &Gloct, const ArrayXd &wvals) |
| void | set_OxPhiFull (const vector< Mps< Symmetry, complex< double > > > &OxPhiFull_input) |
| void | set_Qmulti (int NQ_input) |
| string | INTinfo () const |
| string | xinfo () const |
| string | qinfo () const |
| string | tinfo () const |
| string | winfo () const |
| string | xt_info () const |
| string | xtINTqw_info () const |
| string | xtq_info () const |
| void | print_starttext () const |
| void | set_tol_DeltaS (double x) |
| void | set_lim_Nsv (size_t x) |
| void | set_tol_compr (double x) |
| void | set_h_ooura (double x) |
| void | set_log (string logfolder_input="./") |
| void | set_dLphys (int x) |
| vector< vector< MatrixXcd > > | get_GwqCell () const |
| void | FTcell_xq (bool TRANSPOSE=false) |
| void | set_Oshift (vector< MpoScalar > Oshift_input) |
Public Attributes | |
| ArrayXd | ncell |
| double | mu = std::nan("0") |
| bool | USE_QAWO = false |
Private Member Functions | |
| void | calc_Green (const int &tindex, const complex< double > &phase, const vector< Mps< Symmetry, complex< double > > > &OxPhi, const Mps< Symmetry, complex< double > > &Psi) |
| void | calc_GreenCell (const int &tindex, const complex< double > &phase, const vector< Mps< Symmetry, complex< double > > > &OxPhi, const vector< Mps< Symmetry, complex< double > > > &Psi, int x0=0) |
| void | calc_GreenCell (const int &tindex, const complex< double > &phase, const std::array< vector< Mps< Symmetry, complex< double > > >, 2 > &Psi) |
| void | calc_Green_thermal (const int &tindex, const vector< Mpo< Symmetry, MpoScalar > > &Ox, const Mps< Symmetry, complex< double > > &Phi, const Mps< Symmetry, complex< double > > &Psi) |
| void | calc_GreenCell_thermal (const int &tindex, const vector< Mpo< Symmetry, MpoScalar > > &Ox, const vector< Mps< Symmetry, complex< double > > > &Psi) |
| void | calc_intweights () |
| void | make_xarrays (int Lhetero_input, int Lcell_input, int Ncells_input, int Ns=1, bool PRINT=false) |
| void | set_qlims (Q_RANGE CHOICE) |
| void | propagate_cell (int x0, const Hamiltonian &H, const vector< Mps< Symmetry, complex< double > > > &OxPhi, double Eg, bool TIME_FORWARDS=true) |
| void | propagate_one (int j0, const Hamiltonian &H, const vector< Mps< Symmetry, complex< double > > > &OxPhi, double Eg, bool TIME_FORWARDS=true) |
| void | counterpropagate_cell (const Hamiltonian &H, const vector< Mps< Symmetry, complex< double > > > &OxPhiBra, const vector< Mps< Symmetry, complex< double > > > &OxPhiKet, double Eg, bool TIME_FORWARDS=true) |
| void | propagate_thermal_cell (const Hamiltonian &H, const vector< Mpo< Symmetry, MpoScalar > > &Ox, Mps< Symmetry, complex< double > > Phi, vector< Mps< Symmetry, complex< double > > > &OxPhi0, bool TIME_FORWARDS) |
| void | FT_tw (const MatrixXcd &Gtq, MatrixXcd &Gwq, VectorXcd &G0q, VectorXcd &Glocw) |
| void | FTcell_tw () |
| void | FTcellww_xq (bool TRANSPOSE=false) |
| void | FTcellxx_tw () |
| void | FTxx_tw (const MatrixXcd &Gtx, MatrixXcd &Gwx, VectorXcd &G0x, VectorXcd &Glocw) |
| void | measure_wavepacket (const Mps< Symmetry, complex< double > > &Psi, double tval, int i=0) |
| void | save_log (int i, int tindex, double tval, const Mps< Symmetry, complex< double > > &Psi, const TDVPPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar, Mps< Symmetry, complex< double > > > &TDVP, const EntropyObserver< Mps< Symmetry, complex< double > > > &Sobs, const vector< bool > &TWO_SITE) |
Private Attributes | |
| string | label |
| int | Nt |
| int | Nw |
| int | Nq |
| int | NQ = 0 |
| double | tmax |
| double | wmin |
| double | wmax |
| double | qmin |
| double | qmax |
| Q_RANGE | Q_RANGE_CHOICE = MPI_PPI |
| int | Lhetero |
| int | Lcell |
| int | Ncells |
| int | Ns |
| int | dLphys = 1 |
| int | j0 = -1 |
| double | tol_compr = 1e-4 |
| double | tol_Lanczos = 1e-7 |
| double | tol_DeltaS = 1e-3 |
| size_t | lim_Nsv = 500ul |
| double | h_ooura = 0.001 |
| GREEN_INTEGRATION | GREENINT_CHOICE = OOURA |
| bool | SAVE_LOG = false |
| DMRG::VERBOSITY::OPTION | CHOSEN_VERBOSITY = DMRG::VERBOSITY::HALFSWEEPWISE |
| ArrayXd | tvals |
| ArrayXd | weights |
| ArrayXd | tsteps |
| bool | TIME_FORWARDS |
| vector< double > | xvals |
| vector< int > | xinds |
| vector< int > | dcell |
| vector< int > | icell |
| vector< int > | dcellFT |
| vector< Mps< Symmetry, complex< double > > > | OxPhiFull |
| vector< MpoScalar > | Oshift |
| MatrixXcd | Gtx |
| MatrixXcd | Gwx |
| MatrixXcd | Gtq |
| MatrixXcd | Gwq |
| VectorXcd | Gloct |
| VectorXcd | Glocw |
| VectorXcd | G0q |
| VectorXcd | G0x |
| vector< MatrixXcd > | GtxQmulti |
| vector< MatrixXcd > | GtqQmulti |
| vector< MatrixXcd > | GwqQmulti |
| vector< VectorXcd > | GloctQmulti |
| vector< VectorXcd > | GlocwQmulti |
| vector< VectorXcd > | G0qQmulti |
| vector< vector< MatrixXcd > > | GtxCell |
| vector< vector< MatrixXcd > > | GwxCell |
| vector< vector< MatrixXcd > > | GtqCell |
| vector< vector< MatrixXcd > > | GwqCell |
| vector< vector< VectorXcd > > | G0qCell |
| vector< vector< VectorXcd > > | G0xCell |
| vector< VectorXcd > | GloctCell |
| vector< VectorXcd > | GlocwCell |
| vector< Mpo< Symmetry, MpoScalar > > | Measure |
| int | measure_interval |
| string | measure_name |
| string | measure_subfolder |
| vector< MatrixXd > | Measurement |
| GreenPropagatorLog | log |
| string | logfolder = "./" |
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Definition at line 131 of file GreenPropagator.h.
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| label_input | : prefix for saved files (e.g. type of Green's function, Hamiltonian parameters) |
| tmax_input | : maximal propagation time |
| Nt_input | : amount of time steps; the optimal number seems to be such that the average timestep is below 0.1 |
| wmin_input | : minimal frequency for Fourier transform |
| wmax_input | : maximal frequency for Fourier transform |
| Nw_input | : amount of frequency points |
| Q_RANGE_CHOICE_input | : choose the q-range (-π to π, 0 to 2π) |
| Nq_input | : amount of momentum points (Note: the first point is repeated at the output) |
| GAUSSINT | : if true, compute Gaussian integration weights for the cutoff function |
Definition at line 145 of file GreenPropagator.h.
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Reads G(t,x) from a matrix, so that G(ω,q) can be recalculated.
| label_input | : prefix for saved files (e.g. type of Green's function, Hamiltonian parameters) |
| Lcell_input | : unit cell length |
| Ncells_input | : number of unit cells |
| tmax_input | : maximal propagation time |
| Gtx_input | : input of complex G(ω,q) |
| Q_RANGE_CHOICE_input | : choose the q-range (-π to π, 0 to 2π) |
| GAUSSINT | : if true, compute Gaussian integration weights for the cutoff function |
Definition at line 180 of file GreenPropagator.h.
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Reads G(t,x) with unit cell resolution from array input, so that G(ω,q) can be recalculated.
| label_input | : prefix for saved files (e.g. type of Green's function) |
| tmax_input | : maximal propagation time |
| Gtx_input | : input of complex G(ω,q) |
| Q_RANGE_CHOICE_input | : choose the q-range (-π to π, 0 to 2π) |
| Nq_input | : amount of momentum points (Note: the first point is repeated at the output) |
| GAUSSINT | : if true, compute Gaussian integration weights for the cutoff function |
Definition at line 215 of file GreenPropagator.h.
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Reads G(t,x) with unit cell resolution from file, so that G(ω,q) can be recalculated.
| label_input | : prefix for saved files (e.g. type of Green's function) |
| Lcell_input | : unit cell length |
| Ncells_input | : number of unit cells |
| tmax_input | : maximal propagation time |
| files | : input vector of files, a sum is performed over all data |
| Q_RANGE_CHOICE_input | : choose the q-range (-π to π, 0 to 2π) |
| Nq_input | : amount of momentum points (Note: the first point is repeated at the output) |
| GAUSSINT | : if true, compute Gaussian integration weights for the cutoff function |
Definition at line 321 of file GreenPropagator.h.
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Definition at line 1679 of file GreenPropagator.h.
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Definition at line 1799 of file GreenPropagator.h.
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Definition at line 1744 of file GreenPropagator.h.
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Definition at line 1828 of file GreenPropagator.h.
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Definition at line 1993 of file GreenPropagator.h.
| void GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::compute_cell | ( | const Hamiltonian & | H, |
| const vector< Mps< Symmetry, complex< double > > > & | OxPhiBra, | ||
| const vector< Mps< Symmetry, complex< double > > > & | OxPhiKet, | ||
| double | Eg, | ||
| bool | TIME_FORWARDS = true, |
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| bool | COUNTERPROPAGATE = true, |
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| int | x0 = 0 |
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Computes the Green's function G(t,x).
| H | : Hamiltonian of heterogenic section |
| OxPhi | : vector with all local excitations |
| OxPhi0 | : starting state where the local excitation is located |
| Eg | : ground-state energy |
| TIME_FORWARDS | : For photoemission, set to false. For inverse photoemission, set to true. Computes the Green's function G(t,x) using counterpropagations forward and backward in time on the unit cell. Optimal when run with 2*Lcell threads. |
| H | : Hamiltonian of heterogenic section |
| OxPhi | : vector with all local excitations |
| Eg | : ground-state energy |
| TIME_FORWARDS | : For photoemission, set to false. For inverse photoemission, set to true. |
| COUNTERPROPAGATE | : If true, use the more efficient propagations forwards and backwards in time (not for finite MPS) |
Definition at line 941 of file GreenPropagator.h.
| void GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::compute_one | ( | int | j0, |
| const Hamiltonian & | H, | ||
| const vector< Mps< Symmetry, complex< double > > > & | OxPhi, | ||
| double | Eg, | ||
| bool | TIME_FORWARDS = true |
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Definition at line 1147 of file GreenPropagator.h.
| void GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::compute_thermal_cell | ( | const Hamiltonian & | H, |
| const vector< Mpo< Symmetry, MpoScalar > > & | Odag, | ||
| const Mps< Symmetry, complex< double > > & | Phi, | ||
| vector< Mps< Symmetry, complex< double > > > & | OxPhi0, | ||
| bool | TIME_FORWARDS | ||
| ) |
Definition at line 1457 of file GreenPropagator.h.
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Definition at line 1279 of file GreenPropagator.h.
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Definition at line 2234 of file GreenPropagator.h.
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Definition at line 2442 of file GreenPropagator.h.
| void GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::FTcell_xq | ( | bool | TRANSPOSE = false | ) |
Definition at line 2097 of file GreenPropagator.h.
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Definition at line 2181 of file GreenPropagator.h.
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Definition at line 2537 of file GreenPropagator.h.
| ArrayXcd GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::FTloc_tw | ( | const VectorXcd & | Gloct, |
| const ArrayXd & | wvals | ||
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Fourier transform G(ω,x)→G(ω,q) when system is supposed to be translationally invariant despite a unit cell.
| TW_FIRST_XQ_SECOND | if true, transform first t->ω, then x->q (usually faster because Nx<<Nq) |
Definition at line 2633 of file GreenPropagator.h.
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Definition at line 2333 of file GreenPropagator.h.
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Definition at line 457 of file GreenPropagator.h.
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Definition at line 453 of file GreenPropagator.h.
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Definition at line 455 of file GreenPropagator.h.
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Definition at line 494 of file GreenPropagator.h.
| double GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::integrate_Glocw_cell | ( | double | mu, |
| int | Nint = 1000 |
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Integrates the QDOS up to a given chemical potential μ (or the Fermi energy, since T=0). Can be used to find the right μ which gives the chosen filling n.
| mu | : chemical potential, upper integration limit |
| Nint | : amount of Gauss-Legendre integration points Integrates the QDOS up to a given chemical potential μ for the unit cell. The total integral is normalized ![]() |
| mu | : chemical potential, upper integration limit |
| Nint | : amount of Gauss-Legendre integration points |
Definition at line 2786 of file GreenPropagator.h.
| string GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::INTinfo |
Definition at line 2830 of file GreenPropagator.h.
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Definition at line 1899 of file GreenPropagator.h.
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Definition at line 1861 of file GreenPropagator.h.
| void GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::print_starttext |
Definition at line 2910 of file GreenPropagator.h.
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Definition at line 1013 of file GreenPropagator.h.
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Definition at line 1173 of file GreenPropagator.h.
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Definition at line 1503 of file GreenPropagator.h.
| string GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::qinfo |
Definition at line 2857 of file GreenPropagator.h.
| void GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::recalc_FTw | ( | double | wmin_new, |
| double | wmax_new, | ||
| int | Nw_new = 501 |
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Recalculates the t→ω Fourier transform for a different ω-range
| wmin_new | : minimal frequency for Fourier transform |
| wmax_new | : maximal frequency for Fourier transform |
| Nw_new | : amount of frequency points |
Definition at line 2728 of file GreenPropagator.h.
| void GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::recalc_FTwCell | ( | double | wmin_new, |
| double | wmax_new, | ||
| int | Nw_new = 501, |
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| bool | TRANSPOSE = false |
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Definition at line 2758 of file GreenPropagator.h.
| void GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::save | ( | bool | IGNORE_TX = false | ) | const |
Saves the real and imaginary parts of the Green's function into plain text files.
Definition at line 2936 of file GreenPropagator.h.
| void GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::save_GtqCell |
Definition at line 3232 of file GreenPropagator.h.
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Definition at line 487 of file GreenPropagator.h.
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Definition at line 490 of file GreenPropagator.h.
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Set a Hermitian operator to be measured in the time-propagated state for testing purposes.
| Measure_input | : vector of operators, length must be Lhetero |
| measure_interval_input | : measure after that many timesteps (there is always measurement at t=0) |
| measure_name_input | : How to label the operator in the output file |
| measure_subfolder_input | : Into which subfolder to put the output file |
Definition at line 424 of file GreenPropagator.h.
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| string GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::tinfo |
Definition at line 2869 of file GreenPropagator.h.
| string GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::winfo |
Definition at line 2878 of file GreenPropagator.h.
| string GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::xinfo |
Definition at line 2840 of file GreenPropagator.h.
| string GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::xt_info |
Definition at line 2889 of file GreenPropagator.h.
| string GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::xtINTqw_info |
Definition at line 2896 of file GreenPropagator.h.
| string GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::xtq_info |
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Definition at line 591 of file GreenPropagator.h.
| double GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::mu = std::nan("0") |
Definition at line 484 of file GreenPropagator.h.
| ArrayXd GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::ncell |
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Definition at line 526 of file GreenPropagator.h.
| bool GreenPropagator< Hamiltonian, Symmetry, MpoScalar, TimeScalar >::USE_QAWO = false |
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