TimeEvolutionOps¶
Fortran module TimeEvolutionOps: August 2017 (dj)
Contains the subroutines for all time evolutions.
Authors
Jaschke
Wall
Details
The following subroutines / functions are defined for the applicable data type
procedure |
include.f90 |
mpi.f90 |
|---|---|---|
mps_timeevo |
X |
- TimeEvolutionOps_f90.mps_timeevo_mpo()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in real time according to a time evolution method of choice from TEBD2, TEBD4, TDVP2, LRK2, or LRK4.
Arguments
- PsiTYPE(mpsc), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(tensorlist), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- PsiinitTYPE(mpsc), inout
Initial state for the measurement of the Loschmidt echo.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine mps_timeevo_mpo(Psi, time, Ops, Rs, iop, Psiinit, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, Imapper, errst) use ioops, only : obsunit, quenchunit type(mpsc), intent(inout) :: Psi real(KIND=rKind), intent(inout) :: time type(tensorlist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(mpsc), intent(inout) :: Psiinit type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(obs_c), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete type(imap), intent(in) :: Imapper integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! time step scaled with (- eye) and the additional scalefactor complex(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(mpo) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian variance = 0.0_rKind converged = .true. init_energy = .true. ! MPS is evolved with Hamiltonian mpo_is_hermitian = .true. call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('mps_timeevo_mpo : check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:174', errst=errst)) return ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! Check for energy initialization if(init_energy) then call meas_mpo(energy, Ham, Psi) init_energy = .false. end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_method(Psi, mydeltat, Ham, converged, & variance, Cp, init_random, 'M', & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order call tebd2(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(3) ! TDVP (always second order) call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call tdvp2_symm(Psi, mydeltat, Ham, converged, & variance, Cp, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call lrk2(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call lrk4(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('mps_timeevo_mpo: '//& ! 'selector for time evo not '//& ! 'valid.', 99, errst=errst) !return stop 'mps_timeevo_mpo: selector for time evo not valid' end select !if(prop_error('mps_timeevo_mpo : time step '//& ! '(1) failed.', errst=errst)) return end do ! Increment the time time = time + deltat ! Check if there is measurement to carry out ! ------------------------------------------ if(mod(ii, stepsforoutput) == 0) then ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) write(slog, *) '' write(slog, *) 'hp actual', Hparams(whichhpchanged)%s if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Psi) call destroy(Ham) ! Loschmidt echo le = dot(Psiinit, Psi) write(slog, *) 'time LE', time, LE, ABS(LE)**2 write(slog, *) '' write(Tobs%step_ii, '(I6.6)') ii obsname2 = trim(obsname)//'step_'//Tobs%step_ii//'.dat' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if end if end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! Check for energy initialization if(init_energy) then call meas_mpo(energy, Ham, Psi) init_energy = .false. end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_method(Psi, mydeltat, Ham, converged, & variance, Cp, init_random, 'M', & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order call tebd2(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(3) ! TDVP (always second order) call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call tdvp2_symm(Psi, mydeltat, Ham, converged, & variance, Cp, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call lrk2(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call lrk4(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('mps_timeevo_mpo: '//& ! 'selector for time evo not '//& ! 'valid.', 99, errst=errst) !return stop 'mps_timeevo_mpo: selector for time evo not valid' end select !if(prop_error('mps_timeevo_mpo : time step '//& ! '(2) failed.', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' ! Measurement ! ----------- ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Psi) call destroy(Ham) ! Loschmidt echo le = dot(Psiinit, Psi) write(slog, *) 'time LE', time, LE obsname2 = trim(obsname)//'step_extra.dat' Tobs%step_ii = 'extras' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if end if ! hasextradt call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine mps_timeevo_mpo
- TimeEvolutionOps_f90.mps_timeevo_mpoc()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in real time according to a time evolution method of choice from TEBD2, TEBD4, TDVP2, LRK2, or LRK4.
Arguments
- PsiTYPE(mpsc), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(tensorlistc), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- PsiinitTYPE(mpsc), inout
Initial state for the measurement of the Loschmidt echo.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine mps_timeevo_mpoc(Psi, time, Ops, Rs, iop, Psiinit, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, Imapper, errst) use ioops, only : obsunit, quenchunit type(mpsc), intent(inout) :: Psi real(KIND=rKind), intent(inout) :: time type(tensorlistc), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(mpsc), intent(inout) :: Psiinit type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(obsc), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete type(imap), intent(in) :: Imapper integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! time step scaled with (- eye) and the additional scalefactor complex(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(mpoc) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian variance = 0.0_rKind converged = .true. init_energy = .true. ! MPS is evolved with Hamiltonian mpo_is_hermitian = .true. call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('mps_timeevo_mpoc : check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:174', errst=errst)) return ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! Check for energy initialization if(init_energy) then call meas_mpo(energy, Ham, Psi) init_energy = .false. end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_method(Psi, mydeltat, Ham, converged, & variance, Cp, init_random, 'M', & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order call tebd2(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(3) ! TDVP (always second order) call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call tdvp2_symm(Psi, mydeltat, Ham, converged, & variance, Cp, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call lrk2(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call lrk4(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('mps_timeevo_mpoc: '//& ! 'selector for time evo not '//& ! 'valid.', 99, errst=errst) !return stop 'mps_timeevo_mpoc: selector for time evo not valid' end select !if(prop_error('mps_timeevo_mpoc : time step '//& ! '(1) failed.', errst=errst)) return end do ! Increment the time time = time + deltat ! Check if there is measurement to carry out ! ------------------------------------------ if(mod(ii, stepsforoutput) == 0) then ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) write(slog, *) '' write(slog, *) 'hp actual', Hparams(whichhpchanged)%s if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Psi) call destroy(Ham) ! Loschmidt echo le = dot(Psiinit, Psi) write(slog, *) 'time LE', time, LE, ABS(LE)**2 write(slog, *) '' write(Tobs%step_ii, '(I6.6)') ii obsname2 = trim(obsname)//'step_'//Tobs%step_ii//'.dat' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if end if end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! Check for energy initialization if(init_energy) then call meas_mpo(energy, Ham, Psi) init_energy = .false. end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_method(Psi, mydeltat, Ham, converged, & variance, Cp, init_random, 'M', & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order call tebd2(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(3) ! TDVP (always second order) call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call tdvp2_symm(Psi, mydeltat, Ham, converged, & variance, Cp, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call lrk2(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call lrk4(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('mps_timeevo_mpoc: '//& ! 'selector for time evo not '//& ! 'valid.', 99, errst=errst) !return stop 'mps_timeevo_mpoc: selector for time evo not valid' end select !if(prop_error('mps_timeevo_mpoc : time step '//& ! '(2) failed.', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' ! Measurement ! ----------- ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Psi) call destroy(Ham) ! Loschmidt echo le = dot(Psiinit, Psi) write(slog, *) 'time LE', time, LE obsname2 = trim(obsname)//'step_extra.dat' Tobs%step_ii = 'extras' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if end if ! hasextradt call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine mps_timeevo_mpoc
- TimeEvolutionOps_f90.mps_timeevo_qmpo()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in real time according to a time evolution method of choice from TEBD2, TEBD4, TDVP2, LRK2, or LRK4.
Arguments
- PsiTYPE(qmpsc), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(qtensorlist), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- PsiinitTYPE(qmpsc), inout
Initial state for the measurement of the Loschmidt echo.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine mps_timeevo_qmpo(Psi, time, Ops, Rs, iop, Psiinit, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, Imapper, errst) use ioops, only : obsunit, quenchunit type(qmpsc), intent(inout) :: Psi real(KIND=rKind), intent(inout) :: time type(qtensorlist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(qmpsc), intent(inout) :: Psiinit type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(qobs_c), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete type(imap), intent(in) :: Imapper integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! time step scaled with (- eye) and the additional scalefactor complex(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(qmpo) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian variance = 0.0_rKind converged = .true. init_energy = .true. ! MPS is evolved with Hamiltonian mpo_is_hermitian = .true. call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('mps_timeevo_qmpo : check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:174', errst=errst)) return ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! Check for energy initialization if(init_energy) then call meas_mpo(energy, Ham, Psi) init_energy = .false. end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_method(Psi, mydeltat, Ham, converged, & variance, Cp, init_random, 'M', & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order call tebd2(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(3) ! TDVP (always second order) call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call tdvp2_symm(Psi, mydeltat, Ham, converged, & variance, Cp, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call lrk2(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call lrk4(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('mps_timeevo_qmpo: '//& ! 'selector for time evo not '//& ! 'valid.', 99, errst=errst) !return stop 'mps_timeevo_qmpo: selector for time evo not valid' end select !if(prop_error('mps_timeevo_qmpo : time step '//& ! '(1) failed.', errst=errst)) return end do ! Increment the time time = time + deltat ! Check if there is measurement to carry out ! ------------------------------------------ if(mod(ii, stepsforoutput) == 0) then ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) write(slog, *) '' write(slog, *) 'hp actual', Hparams(whichhpchanged)%s if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Psi) call destroy(Ham) ! Loschmidt echo le = dot(Psiinit, Psi) write(slog, *) 'time LE', time, LE, ABS(LE)**2 write(slog, *) '' write(Tobs%step_ii, '(I6.6)') ii obsname2 = trim(obsname)//'step_'//Tobs%step_ii//'.dat' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if end if end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! Check for energy initialization if(init_energy) then call meas_mpo(energy, Ham, Psi) init_energy = .false. end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_method(Psi, mydeltat, Ham, converged, & variance, Cp, init_random, 'M', & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order call tebd2(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(3) ! TDVP (always second order) call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call tdvp2_symm(Psi, mydeltat, Ham, converged, & variance, Cp, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call lrk2(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call lrk4(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('mps_timeevo_qmpo: '//& ! 'selector for time evo not '//& ! 'valid.', 99, errst=errst) !return stop 'mps_timeevo_qmpo: selector for time evo not valid' end select !if(prop_error('mps_timeevo_qmpo : time step '//& ! '(2) failed.', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' ! Measurement ! ----------- ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Psi) call destroy(Ham) ! Loschmidt echo le = dot(Psiinit, Psi) write(slog, *) 'time LE', time, LE obsname2 = trim(obsname)//'step_extra.dat' Tobs%step_ii = 'extras' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if end if ! hasextradt call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine mps_timeevo_qmpo
- TimeEvolutionOps_f90.mps_timeevo_qmpoc()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in real time according to a time evolution method of choice from TEBD2, TEBD4, TDVP2, LRK2, or LRK4.
Arguments
- PsiTYPE(qmpsc), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(qtensorclist), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- PsiinitTYPE(qmpsc), inout
Initial state for the measurement of the Loschmidt echo.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine mps_timeevo_qmpoc(Psi, time, Ops, Rs, iop, Psiinit, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, Imapper, errst) use ioops, only : obsunit, quenchunit type(qmpsc), intent(inout) :: Psi real(KIND=rKind), intent(inout) :: time type(qtensorclist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(qmpsc), intent(inout) :: Psiinit type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(qobsc), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete type(imap), intent(in) :: Imapper integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! time step scaled with (- eye) and the additional scalefactor complex(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(qmpoc) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian variance = 0.0_rKind converged = .true. init_energy = .true. ! MPS is evolved with Hamiltonian mpo_is_hermitian = .true. call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('mps_timeevo_qmpoc : check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:174', errst=errst)) return ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! Check for energy initialization if(init_energy) then call meas_mpo(energy, Ham, Psi) init_energy = .false. end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_method(Psi, mydeltat, Ham, converged, & variance, Cp, init_random, 'M', & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order call tebd2(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(3) ! TDVP (always second order) call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call tdvp2_symm(Psi, mydeltat, Ham, converged, & variance, Cp, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call lrk2(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call lrk4(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('mps_timeevo_qmpoc: '//& ! 'selector for time evo not '//& ! 'valid.', 99, errst=errst) !return stop 'mps_timeevo_qmpoc: selector for time evo not valid' end select !if(prop_error('mps_timeevo_qmpoc : time step '//& ! '(1) failed.', errst=errst)) return end do ! Increment the time time = time + deltat ! Check if there is measurement to carry out ! ------------------------------------------ if(mod(ii, stepsforoutput) == 0) then ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) write(slog, *) '' write(slog, *) 'hp actual', Hparams(whichhpchanged)%s if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Psi) call destroy(Ham) ! Loschmidt echo le = dot(Psiinit, Psi) write(slog, *) 'time LE', time, LE, ABS(LE)**2 write(slog, *) '' write(Tobs%step_ii, '(I6.6)') ii obsname2 = trim(obsname)//'step_'//Tobs%step_ii//'.dat' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if end if end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! Check for energy initialization if(init_energy) then call meas_mpo(energy, Ham, Psi) init_energy = .false. end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_method(Psi, mydeltat, Ham, converged, & variance, Cp, init_random, 'M', & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order call tebd2(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(3) ! TDVP (always second order) call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call tdvp2_symm(Psi, mydeltat, Ham, converged, & variance, Cp, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call lrk2(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) call lrk4(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('mps_timeevo_qmpoc: '//& ! 'selector for time evo not '//& ! 'valid.', 99, errst=errst) !return stop 'mps_timeevo_qmpoc: selector for time evo not valid' end select !if(prop_error('mps_timeevo_qmpoc : time step '//& ! '(2) failed.', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' ! Measurement ! ----------- ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Psi) call destroy(Ham) ! Loschmidt echo le = dot(Psiinit, Psi) write(slog, *) 'time LE', time, LE obsname2 = trim(obsname)//'step_extra.dat' Tobs%step_ii = 'extras' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if end if ! hasextradt call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine mps_timeevo_qmpoc
- TimeEvolutionOps_f90.qt_timeevo_tensorlist()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in real time with quantum trajectories according to a Lindblad master equation. The time evolution methods available are Krylov, TEBD2, TEBD4, TDVP2, LRK2, or LRK4.
Arguments
- PsiTYPE(mpsc), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(tensorlist), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- PsiinitTYPE(mpsc), inout
Initial state for the measurement of the Loschmidt echo.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine qt_timeevo_tensorlist(Psi, time, Ops, Rs, iop, Psiinit, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, qtid, qtnorm, qtrand, Imapper, errst) use ioops, only : obsunit, quenchunit type(mpsc), intent(inout) :: Psi real(KIND=rKind), intent(inout) :: time type(tensorlist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(mpsc), intent(inout) :: Psiinit type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(obs_c), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete character(len=12), intent(in) :: qtid real(KIND=rKind), intent(inout) :: qtnorm, qtrand type(imap), intent(in) :: Imapper integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! current norm after time step real(KIND=rKind) :: normt ! time step scaled with (- eye) and the additional scalefactor complex(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(mpoc) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian if(qtnorm < 0.0_rKind) then ! Initialization qtnorm = norm(Psi) call get_random_number(qtrand) end if variance = 0.0_rKind converged = .true. init_energy = .true. ! MPS is evolved with effective Hamiltonian mpo_is_hermitian = .false. ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('qt_timeevo_tensorlist : check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:647', errst=errst)) return ! Have to adapt HDF5 target ii = len(trim(adjustl(Tobs%hdf5_target_file))) if(ii > 0) then Tobs%hdf5_target_file = Tobs%hdf5_target_file(1:ii - 3)//& 'ObsOutDynamics/Sim'//qtid//'.h5' end if call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_tensorlist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:695', & ! errst=errst)) return ! Check for energy initialization if(init_energy) then call meas_mpo(energy, Ham, Psi) init_energy = .false. end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_method(Psi, mydeltat, Ham, converged, & variance, Cp, init_random, 'N', & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order call tebd2(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .true., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .true., .false., Cp, errst=errst) case(3) ! TDVP (always second order) call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_tensorlist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:735', & ! errst=errst)) return call tdvp2_gen(Psi, mydeltat, Ham, converged, & variance, Cp, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_tensorlist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:748', & ! errst=errst)) return call lrk2(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_tensorlist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:761', & ! errst=errst)) return call lrk4(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('qt_timeevo_mpoc: '//& ! 'selector for time evo not '//& ! 'valid.', 99, 'TimeEvolutionOps_include.f90:771', errst=errst) !return end select !if(prop_error('qt_timeevo_mpoc : time step '//& ! '(1) failed.', 'TimeEvolutionOps_include.f90:776', errst=errst)) return end do ! Increment the time time = time + deltat ! Check if there is a quantum jump to carry out ! --------------------------------------------- normt = norm(Psi) qtnorm = qtnorm * normt call scale(1.0_rKind / sqrt(normt), Psi) if(qtnorm < qtrand) then ! Quantum jump call quantum_jump(Psi, Ops, Rs, Hparams, errst=errst) !if(prop_error('qt_timeevo_mpoc : quantum_jump '//& ! 'failed.', 'TimeEvolutionOps_include.f90:794', errst=errst)) return qtnorm = 1.0_rKind call get_random_number(qtrand) end if ! Check if there is measurement to carry out ! ------------------------------------------ if(mod(ii, stepsforoutput) == 0) then ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) write(slog, *) '' write(slog, *) 'hp actual', Hparams(whichhpchanged)%s if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Psi) call destroy(Ham) ! Loschmidt echo le = dot(Psiinit, Psi) write(slog, *) 'time LE', time, LE, ABS(LE)**2 write(slog, *) '' write(Tobs%step_ii, '(I6.6)') ii obsname2 = trim(obsname)//'step_'//Tobs%step_ii//qtid//'.dat' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, qtid=qtid, errst=errst) variance = 0.0_rKind end if end if end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_tensorlist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:866', & ! errst=errst)) return ! Check for energy initialization if(init_energy) then call meas_mpo(energy, Ham, Psi) init_energy = .false. end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_method(Psi, mydeltat, Ham, converged, & variance, Cp, init_random, 'N', & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order call tebd2(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .true., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .true., .false., Cp, errst=errst) case(3) ! TDVP (always second order) call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_tensorlist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:909', & ! errst=errst)) return call tdvp2_gen(Psi, mydeltat, Ham, converged, & variance, Cp, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_tensorlist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:922', & ! errst=errst)) return call lrk2(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_tensorlist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:935', & ! errst=errst)) return call lrk4(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('qt_timeevo_mpoc: '//& ! 'selector for time evo not '//& ! 'valid.', 99, 'TimeEvolutionOps_include.f90:945', errst=errst) !return end select !if(prop_error('qt_timeevo_mpoc : time step '//& ! '(2) failed.', 'TimeEvolutionOps_include.f90:950', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' ! Check if there is a quantum jump to carry out ! --------------------------------------------- normt = norm(Psi) qtnorm = qtnorm * normt call scale(1.0_rKind / sqrt(normt), Psi) if(qtnorm < qtrand) then ! Quantum jump call quantum_jump(Psi, Ops, Rs, Hparams, errst=errst) !if(prop_error('qt_timeevo_mpoc : quantum_jump '//& ! 'failed.', 'TimeEvolutionOps_include.f90:968', errst=errst)) return qtnorm = 1.0_rKind call get_random_number(qtrand) end if ! Measurement ! ----------- ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Psi) call destroy(Ham) ! Loschmidt echo le = dot(Psiinit, Psi) write(slog, *) 'time LE', time, LE Tobs%step_ii = 'extras' obsname2 = trim(obsname)//'step_extra'//qtid//'.dat' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, qtid=qtid, errst=errst) variance = 0.0_rKind end if end if ! hasextradt call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine qt_timeevo_tensorlist
- TimeEvolutionOps_f90.qt_timeevo_tensorlistc()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in real time with quantum trajectories according to a Lindblad master equation. The time evolution methods available are Krylov, TEBD2, TEBD4, TDVP2, LRK2, or LRK4.
Arguments
- PsiTYPE(mpsc), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(tensorlistc), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- PsiinitTYPE(mpsc), inout
Initial state for the measurement of the Loschmidt echo.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine qt_timeevo_tensorlistc(Psi, time, Ops, Rs, iop, Psiinit, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, qtid, qtnorm, qtrand, Imapper, errst) use ioops, only : obsunit, quenchunit type(mpsc), intent(inout) :: Psi real(KIND=rKind), intent(inout) :: time type(tensorlistc), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(mpsc), intent(inout) :: Psiinit type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(obsc), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete character(len=12), intent(in) :: qtid real(KIND=rKind), intent(inout) :: qtnorm, qtrand type(imap), intent(in) :: Imapper integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! current norm after time step real(KIND=rKind) :: normt ! time step scaled with (- eye) and the additional scalefactor complex(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(mpoc) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian if(qtnorm < 0.0_rKind) then ! Initialization qtnorm = norm(Psi) call get_random_number(qtrand) end if variance = 0.0_rKind converged = .true. init_energy = .true. ! MPS is evolved with effective Hamiltonian mpo_is_hermitian = .false. ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('qt_timeevo_tensorlistc : check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:647', errst=errst)) return ! Have to adapt HDF5 target ii = len(trim(adjustl(Tobs%hdf5_target_file))) if(ii > 0) then Tobs%hdf5_target_file = Tobs%hdf5_target_file(1:ii - 3)//& 'ObsOutDynamics/Sim'//qtid//'.h5' end if call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_tensorlistc : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:695', & ! errst=errst)) return ! Check for energy initialization if(init_energy) then call meas_mpo(energy, Ham, Psi) init_energy = .false. end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_method(Psi, mydeltat, Ham, converged, & variance, Cp, init_random, 'N', & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order call tebd2(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .true., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .true., .false., Cp, errst=errst) case(3) ! TDVP (always second order) call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_tensorlistc : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:735', & ! errst=errst)) return call tdvp2_gen(Psi, mydeltat, Ham, converged, & variance, Cp, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_tensorlistc : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:748', & ! errst=errst)) return call lrk2(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_tensorlistc : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:761', & ! errst=errst)) return call lrk4(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('qt_timeevo_mpoc: '//& ! 'selector for time evo not '//& ! 'valid.', 99, 'TimeEvolutionOps_include.f90:771', errst=errst) !return end select !if(prop_error('qt_timeevo_mpoc : time step '//& ! '(1) failed.', 'TimeEvolutionOps_include.f90:776', errst=errst)) return end do ! Increment the time time = time + deltat ! Check if there is a quantum jump to carry out ! --------------------------------------------- normt = norm(Psi) qtnorm = qtnorm * normt call scale(1.0_rKind / sqrt(normt), Psi) if(qtnorm < qtrand) then ! Quantum jump call quantum_jump(Psi, Ops, Rs, Hparams, errst=errst) !if(prop_error('qt_timeevo_mpoc : quantum_jump '//& ! 'failed.', 'TimeEvolutionOps_include.f90:794', errst=errst)) return qtnorm = 1.0_rKind call get_random_number(qtrand) end if ! Check if there is measurement to carry out ! ------------------------------------------ if(mod(ii, stepsforoutput) == 0) then ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) write(slog, *) '' write(slog, *) 'hp actual', Hparams(whichhpchanged)%s if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Psi) call destroy(Ham) ! Loschmidt echo le = dot(Psiinit, Psi) write(slog, *) 'time LE', time, LE, ABS(LE)**2 write(slog, *) '' write(Tobs%step_ii, '(I6.6)') ii obsname2 = trim(obsname)//'step_'//Tobs%step_ii//qtid//'.dat' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, qtid=qtid, errst=errst) variance = 0.0_rKind end if end if end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_tensorlistc : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:866', & ! errst=errst)) return ! Check for energy initialization if(init_energy) then call meas_mpo(energy, Ham, Psi) init_energy = .false. end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_method(Psi, mydeltat, Ham, converged, & variance, Cp, init_random, 'N', & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order call tebd2(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .true., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .true., .false., Cp, errst=errst) case(3) ! TDVP (always second order) call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_tensorlistc : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:909', & ! errst=errst)) return call tdvp2_gen(Psi, mydeltat, Ham, converged, & variance, Cp, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_tensorlistc : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:922', & ! errst=errst)) return call lrk2(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_tensorlistc : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:935', & ! errst=errst)) return call lrk4(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('qt_timeevo_mpoc: '//& ! 'selector for time evo not '//& ! 'valid.', 99, 'TimeEvolutionOps_include.f90:945', errst=errst) !return end select !if(prop_error('qt_timeevo_mpoc : time step '//& ! '(2) failed.', 'TimeEvolutionOps_include.f90:950', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' ! Check if there is a quantum jump to carry out ! --------------------------------------------- normt = norm(Psi) qtnorm = qtnorm * normt call scale(1.0_rKind / sqrt(normt), Psi) if(qtnorm < qtrand) then ! Quantum jump call quantum_jump(Psi, Ops, Rs, Hparams, errst=errst) !if(prop_error('qt_timeevo_mpoc : quantum_jump '//& ! 'failed.', 'TimeEvolutionOps_include.f90:968', errst=errst)) return qtnorm = 1.0_rKind call get_random_number(qtrand) end if ! Measurement ! ----------- ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Psi) call destroy(Ham) ! Loschmidt echo le = dot(Psiinit, Psi) write(slog, *) 'time LE', time, LE Tobs%step_ii = 'extras' obsname2 = trim(obsname)//'step_extra'//qtid//'.dat' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, qtid=qtid, errst=errst) variance = 0.0_rKind end if end if ! hasextradt call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine qt_timeevo_tensorlistc
- TimeEvolutionOps_f90.qt_timeevo_qtensorlist()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in real time with quantum trajectories according to a Lindblad master equation. The time evolution methods available are Krylov, TEBD2, TEBD4, TDVP2, LRK2, or LRK4.
Arguments
- PsiTYPE(qmpsc), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(qtensorlist), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- PsiinitTYPE(qmpsc), inout
Initial state for the measurement of the Loschmidt echo.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine qt_timeevo_qtensorlist(Psi, time, Ops, Rs, iop, Psiinit, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, qtid, qtnorm, qtrand, Imapper, errst) use ioops, only : obsunit, quenchunit type(qmpsc), intent(inout) :: Psi real(KIND=rKind), intent(inout) :: time type(qtensorlist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(qmpsc), intent(inout) :: Psiinit type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(qobs_c), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete character(len=12), intent(in) :: qtid real(KIND=rKind), intent(inout) :: qtnorm, qtrand type(imap), intent(in) :: Imapper integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! current norm after time step real(KIND=rKind) :: normt ! time step scaled with (- eye) and the additional scalefactor complex(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(qmpoc) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian if(qtnorm < 0.0_rKind) then ! Initialization qtnorm = norm(Psi) call get_random_number(qtrand) end if variance = 0.0_rKind converged = .true. init_energy = .true. ! MPS is evolved with effective Hamiltonian mpo_is_hermitian = .false. ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('qt_timeevo_qtensorlist : check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:647', errst=errst)) return ! Have to adapt HDF5 target ii = len(trim(adjustl(Tobs%hdf5_target_file))) if(ii > 0) then Tobs%hdf5_target_file = Tobs%hdf5_target_file(1:ii - 3)//& 'ObsOutDynamics/Sim'//qtid//'.h5' end if call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_qtensorlist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:695', & ! errst=errst)) return ! Check for energy initialization if(init_energy) then call meas_mpo(energy, Ham, Psi) init_energy = .false. end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_method(Psi, mydeltat, Ham, converged, & variance, Cp, init_random, 'N', & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order call tebd2(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .true., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .true., .false., Cp, errst=errst) case(3) ! TDVP (always second order) call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_qtensorlist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:735', & ! errst=errst)) return call tdvp2_gen(Psi, mydeltat, Ham, converged, & variance, Cp, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_qtensorlist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:748', & ! errst=errst)) return call lrk2(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_qtensorlist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:761', & ! errst=errst)) return call lrk4(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('qt_timeevo_qmpoc: '//& ! 'selector for time evo not '//& ! 'valid.', 99, 'TimeEvolutionOps_include.f90:771', errst=errst) !return end select !if(prop_error('qt_timeevo_qmpoc : time step '//& ! '(1) failed.', 'TimeEvolutionOps_include.f90:776', errst=errst)) return end do ! Increment the time time = time + deltat ! Check if there is a quantum jump to carry out ! --------------------------------------------- normt = norm(Psi) qtnorm = qtnorm * normt call scale(1.0_rKind / sqrt(normt), Psi) if(qtnorm < qtrand) then ! Quantum jump call quantum_jump(Psi, Ops, Rs, Hparams, errst=errst) !if(prop_error('qt_timeevo_qmpoc : quantum_jump '//& ! 'failed.', 'TimeEvolutionOps_include.f90:794', errst=errst)) return qtnorm = 1.0_rKind call get_random_number(qtrand) end if ! Check if there is measurement to carry out ! ------------------------------------------ if(mod(ii, stepsforoutput) == 0) then ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) write(slog, *) '' write(slog, *) 'hp actual', Hparams(whichhpchanged)%s if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Psi) call destroy(Ham) ! Loschmidt echo le = dot(Psiinit, Psi) write(slog, *) 'time LE', time, LE, ABS(LE)**2 write(slog, *) '' write(Tobs%step_ii, '(I6.6)') ii obsname2 = trim(obsname)//'step_'//Tobs%step_ii//qtid//'.dat' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, qtid=qtid, errst=errst) variance = 0.0_rKind end if end if end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_qtensorlist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:866', & ! errst=errst)) return ! Check for energy initialization if(init_energy) then call meas_mpo(energy, Ham, Psi) init_energy = .false. end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_method(Psi, mydeltat, Ham, converged, & variance, Cp, init_random, 'N', & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order call tebd2(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .true., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .true., .false., Cp, errst=errst) case(3) ! TDVP (always second order) call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_qtensorlist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:909', & ! errst=errst)) return call tdvp2_gen(Psi, mydeltat, Ham, converged, & variance, Cp, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_qtensorlist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:922', & ! errst=errst)) return call lrk2(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_qtensorlist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:935', & ! errst=errst)) return call lrk4(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('qt_timeevo_qmpoc: '//& ! 'selector for time evo not '//& ! 'valid.', 99, 'TimeEvolutionOps_include.f90:945', errst=errst) !return end select !if(prop_error('qt_timeevo_qmpoc : time step '//& ! '(2) failed.', 'TimeEvolutionOps_include.f90:950', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' ! Check if there is a quantum jump to carry out ! --------------------------------------------- normt = norm(Psi) qtnorm = qtnorm * normt call scale(1.0_rKind / sqrt(normt), Psi) if(qtnorm < qtrand) then ! Quantum jump call quantum_jump(Psi, Ops, Rs, Hparams, errst=errst) !if(prop_error('qt_timeevo_qmpoc : quantum_jump '//& ! 'failed.', 'TimeEvolutionOps_include.f90:968', errst=errst)) return qtnorm = 1.0_rKind call get_random_number(qtrand) end if ! Measurement ! ----------- ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Psi) call destroy(Ham) ! Loschmidt echo le = dot(Psiinit, Psi) write(slog, *) 'time LE', time, LE Tobs%step_ii = 'extras' obsname2 = trim(obsname)//'step_extra'//qtid//'.dat' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, qtid=qtid, errst=errst) variance = 0.0_rKind end if end if ! hasextradt call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine qt_timeevo_qtensorlist
- TimeEvolutionOps_f90.qt_timeevo_qtensorclist()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in real time with quantum trajectories according to a Lindblad master equation. The time evolution methods available are Krylov, TEBD2, TEBD4, TDVP2, LRK2, or LRK4.
Arguments
- PsiTYPE(qmpsc), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(qtensorclist), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- PsiinitTYPE(qmpsc), inout
Initial state for the measurement of the Loschmidt echo.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine qt_timeevo_qtensorclist(Psi, time, Ops, Rs, iop, Psiinit, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, qtid, qtnorm, qtrand, Imapper, errst) use ioops, only : obsunit, quenchunit type(qmpsc), intent(inout) :: Psi real(KIND=rKind), intent(inout) :: time type(qtensorclist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(qmpsc), intent(inout) :: Psiinit type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(qobsc), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete character(len=12), intent(in) :: qtid real(KIND=rKind), intent(inout) :: qtnorm, qtrand type(imap), intent(in) :: Imapper integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! current norm after time step real(KIND=rKind) :: normt ! time step scaled with (- eye) and the additional scalefactor complex(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(qmpoc) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian if(qtnorm < 0.0_rKind) then ! Initialization qtnorm = norm(Psi) call get_random_number(qtrand) end if variance = 0.0_rKind converged = .true. init_energy = .true. ! MPS is evolved with effective Hamiltonian mpo_is_hermitian = .false. ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('qt_timeevo_qtensorclist : check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:647', errst=errst)) return ! Have to adapt HDF5 target ii = len(trim(adjustl(Tobs%hdf5_target_file))) if(ii > 0) then Tobs%hdf5_target_file = Tobs%hdf5_target_file(1:ii - 3)//& 'ObsOutDynamics/Sim'//qtid//'.h5' end if call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_qtensorclist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:695', & ! errst=errst)) return ! Check for energy initialization if(init_energy) then call meas_mpo(energy, Ham, Psi) init_energy = .false. end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_method(Psi, mydeltat, Ham, converged, & variance, Cp, init_random, 'N', & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order call tebd2(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .true., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .true., .false., Cp, errst=errst) case(3) ! TDVP (always second order) call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_qtensorclist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:735', & ! errst=errst)) return call tdvp2_gen(Psi, mydeltat, Ham, converged, & variance, Cp, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_qtensorclist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:748', & ! errst=errst)) return call lrk2(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_qtensorclist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:761', & ! errst=errst)) return call lrk4(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('qt_timeevo_qmpoc: '//& ! 'selector for time evo not '//& ! 'valid.', 99, 'TimeEvolutionOps_include.f90:771', errst=errst) !return end select !if(prop_error('qt_timeevo_qmpoc : time step '//& ! '(1) failed.', 'TimeEvolutionOps_include.f90:776', errst=errst)) return end do ! Increment the time time = time + deltat ! Check if there is a quantum jump to carry out ! --------------------------------------------- normt = norm(Psi) qtnorm = qtnorm * normt call scale(1.0_rKind / sqrt(normt), Psi) if(qtnorm < qtrand) then ! Quantum jump call quantum_jump(Psi, Ops, Rs, Hparams, errst=errst) !if(prop_error('qt_timeevo_qmpoc : quantum_jump '//& ! 'failed.', 'TimeEvolutionOps_include.f90:794', errst=errst)) return qtnorm = 1.0_rKind call get_random_number(qtrand) end if ! Check if there is measurement to carry out ! ------------------------------------------ if(mod(ii, stepsforoutput) == 0) then ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) write(slog, *) '' write(slog, *) 'hp actual', Hparams(whichhpchanged)%s if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Psi) call destroy(Ham) ! Loschmidt echo le = dot(Psiinit, Psi) write(slog, *) 'time LE', time, LE, ABS(LE)**2 write(slog, *) '' write(Tobs%step_ii, '(I6.6)') ii obsname2 = trim(obsname)//'step_'//Tobs%step_ii//qtid//'.dat' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, qtid=qtid, errst=errst) variance = 0.0_rKind end if end if end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_qtensorclist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:866', & ! errst=errst)) return ! Check for energy initialization if(init_energy) then call meas_mpo(energy, Ham, Psi) init_energy = .false. end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_method(Psi, mydeltat, Ham, converged, & variance, Cp, init_random, 'N', & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order call tebd2(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .true., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .true., .false., Cp, errst=errst) case(3) ! TDVP (always second order) call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_qtensorclist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:909', & ! errst=errst)) return call tdvp2_gen(Psi, mydeltat, Ham, converged, & variance, Cp, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_qtensorclist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:922', & ! errst=errst)) return call lrk2(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_effham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, & iop, errst=errst) !if(prop_error('qt_timeevo_qtensorclist : ruleset_...'//& ! 'failed.', 'TimeEvolutionOps_include.f90:935', & ! errst=errst)) return call lrk4(Psi, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('qt_timeevo_qmpoc: '//& ! 'selector for time evo not '//& ! 'valid.', 99, 'TimeEvolutionOps_include.f90:945', errst=errst) !return end select !if(prop_error('qt_timeevo_qmpoc : time step '//& ! '(2) failed.', 'TimeEvolutionOps_include.f90:950', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' ! Check if there is a quantum jump to carry out ! --------------------------------------------- normt = norm(Psi) qtnorm = qtnorm * normt call scale(1.0_rKind / sqrt(normt), Psi) if(qtnorm < qtrand) then ! Quantum jump call quantum_jump(Psi, Ops, Rs, Hparams, errst=errst) !if(prop_error('qt_timeevo_qmpoc : quantum_jump '//& ! 'failed.', 'TimeEvolutionOps_include.f90:968', errst=errst)) return qtnorm = 1.0_rKind call get_random_number(qtrand) end if ! Measurement ! ----------- ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Psi) call destroy(Ham) ! Loschmidt echo le = dot(Psiinit, Psi) write(slog, *) 'time LE', time, LE Tobs%step_ii = 'extras' obsname2 = trim(obsname)//'step_extra'//qtid//'.dat' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, qtid=qtid, errst=errst) variance = 0.0_rKind end if end if ! hasextradt call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine qt_timeevo_qtensorclist
- TimeEvolutionOps_f90.mpdo_timeevo_tensorlist()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in real time according to a time evolution method of choice from TEBD2, TEBD4, TDVP2, LRK2, or LRK4.
Arguments
- PsiTYPE(mpdoc), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(tensorlist), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
- PsiinitTYPE(mpdoc), OPTIONAL, inout
Initial state for the measurement of the distance.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine mpdo_timeevo_tensorlist(Psi, time, Ops, Rs, iop, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, Imapper, Psiinit, errst) use ioops, only : obsunit, quenchunit type(mpdoc), intent(inout) :: Psi real(KIND=rKind), intent(inout) :: time type(tensorlist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(obs_c), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete type(imap), intent(in) :: Imapper type(mpsc), intent(inout), optional :: Psiinit integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! time step scaled with (- eye) and the additional scalefactor complex(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(mpoc) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian variance = 0.0_rKind converged = .true. init_energy = .true. ! MPDO is evolved with Hamiltonian mpo_is_hermitian = .false. call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('mpdo_timeevo_tensorlist : check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:1189', errst=errst)) return ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) ! Check for energy initialization if(init_energy) then !call meas_mpo(energy, Ham, Psi, errst=errst) !C HECK_if(prop_error('mpdo_timeevo_tensorlist : '//& !C HECK_ 'meas_mpo (1) failed.', & !C HECK_ errst=errst)) return !init_energy = .false. energy = 1.0_rKind end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_arnoldi(Psi%Superket, mydeltat, Ham, converged, & variance, Cp, init_random, & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order ! To-Do : count Lindblad terms and switch to Ham in Liouspace evolution call tebd2(Psi%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(3) ! TDVP (always second order) ! To-Do : count Lindblad terms and switch to Ham in Liouspace evolution call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call tdvp2_gen(Psi%Superket, mydeltat, Ham, converged, & variance, Cp, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call lrk2(Psi%Superket, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call lrk4(Psi%Superket, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('mpdo_timeevo_mpoc: '//& ! 'selector for time evo not '//& ! 'valid.', 99, errst=errst) !return stop 'mpdo_timeevo_mpoc: selector for time evo not valid' end select !if(prop_error('mpdo_timeevo_mpoc : time step '//& ! '(1) failed.', errst=errst)) return end do ! Increment the time time = time + deltat ! Check if there is measurement to carry out ! ------------------------------------------ if(mod(ii, stepsforoutput) == 0) then ! Renormalize call scale(1.0_rKind / norm(Psi), Psi%Superket%AA(Psi%Superket%oc)) ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) !write(slog, *) '' !write(slog, *) 'hp actual', Hparams(whichhpchanged)%s if(.not. skip) then !call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy !call meas_mpo(energy, Ham, Psi, errst=errst) !C HECK_if(prop_error('mpdo_timeevo_tensorlist : '//& !C HECK_ 'meas_mpo (2) failed.', & !C HECK_ errst=errst)) return !call destroy(Ham) energy = 0.0_rKind ! Distance (can only be calculated for pure states right now) if(present(Psiinit)) then le = distance(Psi, Psiinit) else le = -10.0_rKind end if write(slog, *) 'time LE', time, LE, ABS(LE)**2 write(slog, *) '' write(Tobs%step_ii, '(I6.6)') ii obsname2 = trim(obsname)//'step_'//Tobs%step_ii//'.dat' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) !if(prop_error('mpdo_timeevo_mpoc: '//& ! 'observe failed.', errst=errst)) return variance = 0.0_rKind end if end if end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) ! Check for energy initialization if(init_energy) then !call meas_mpo(energy, Ham, Psi, errst=errst) !C HECK_if(prop_error('mpdo_timeevo_tensorlist : '//& !C HECK_ 'meas_mpo (3) failed.', & !C HECK_ errst=errst)) return !init_energy = .false. energy = 1.0_rKind end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_arnoldi(Psi%Superket, mydeltat, Ham, converged, & variance, Cp, init_random, & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order call tebd2(Psi%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(3) ! TDVP (always second order) call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call tdvp2_gen(Psi%Superket, mydeltat, Ham, converged, & variance, Cp, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call lrk2(Psi%Superket, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call lrk4(Psi%Superket, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('mpdo_timeevo_mpoc: '//& ! 'selector for time evo not '//& ! 'valid.', 99, errst=errst) !return stop 'mpdo_timeevo_mpoc: selector for time evo not valid' end select !if(prop_error('mpdo_timeevo_mpoc : time step '//& ! '(2) failed.', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' ! Measurement ! ----------- ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then !call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy !call meas_mpo(energy, Ham, Psi, errst=errst) !C HECK_if(prop_error('mpdo_timeevo_tensorlist : '//& !C HECK_ 'meas_mpo (4) failed.', & !C HECK_ errst=errst)) return !call destroy(Ham) energy = 0.0_rKind ! Distance (can only be calculated for pure states right now) if(present(Psiinit)) then le = distance(Psi, Psiinit) else le = -10.0_rKind end if write(slog, *) 'time LE', time, LE obsname2 = trim(obsname)//'step_extra.dat' Tobs%step_ii = 'extras' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if end if ! hasextradt call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine mpdo_timeevo_tensorlist
- TimeEvolutionOps_f90.mpdo_timeevo_tensorlistc()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in real time according to a time evolution method of choice from TEBD2, TEBD4, TDVP2, LRK2, or LRK4.
Arguments
- PsiTYPE(mpdoc), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(tensorlistc), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
- PsiinitTYPE(mpdoc), OPTIONAL, inout
Initial state for the measurement of the distance.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine mpdo_timeevo_tensorlistc(Psi, time, Ops, Rs, iop, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, Imapper, Psiinit, errst) use ioops, only : obsunit, quenchunit type(mpdoc), intent(inout) :: Psi real(KIND=rKind), intent(inout) :: time type(tensorlistc), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(obsc), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete type(imap), intent(in) :: Imapper type(mpsc), intent(inout), optional :: Psiinit integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! time step scaled with (- eye) and the additional scalefactor complex(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(mpoc) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian variance = 0.0_rKind converged = .true. init_energy = .true. ! MPDO is evolved with Hamiltonian mpo_is_hermitian = .false. call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('mpdo_timeevo_tensorlistc : check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:1189', errst=errst)) return ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) ! Check for energy initialization if(init_energy) then !call meas_mpo(energy, Ham, Psi, errst=errst) !C HECK_if(prop_error('mpdo_timeevo_tensorlistc : '//& !C HECK_ 'meas_mpo (1) failed.', & !C HECK_ errst=errst)) return !init_energy = .false. energy = 1.0_rKind end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_arnoldi(Psi%Superket, mydeltat, Ham, converged, & variance, Cp, init_random, & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order ! To-Do : count Lindblad terms and switch to Ham in Liouspace evolution call tebd2(Psi%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(3) ! TDVP (always second order) ! To-Do : count Lindblad terms and switch to Ham in Liouspace evolution call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call tdvp2_gen(Psi%Superket, mydeltat, Ham, converged, & variance, Cp, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call lrk2(Psi%Superket, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call lrk4(Psi%Superket, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('mpdo_timeevo_mpoc: '//& ! 'selector for time evo not '//& ! 'valid.', 99, errst=errst) !return stop 'mpdo_timeevo_mpoc: selector for time evo not valid' end select !if(prop_error('mpdo_timeevo_mpoc : time step '//& ! '(1) failed.', errst=errst)) return end do ! Increment the time time = time + deltat ! Check if there is measurement to carry out ! ------------------------------------------ if(mod(ii, stepsforoutput) == 0) then ! Renormalize call scale(1.0_rKind / norm(Psi), Psi%Superket%AA(Psi%Superket%oc)) ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) !write(slog, *) '' !write(slog, *) 'hp actual', Hparams(whichhpchanged)%s if(.not. skip) then !call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy !call meas_mpo(energy, Ham, Psi, errst=errst) !C HECK_if(prop_error('mpdo_timeevo_tensorlistc : '//& !C HECK_ 'meas_mpo (2) failed.', & !C HECK_ errst=errst)) return !call destroy(Ham) energy = 0.0_rKind ! Distance (can only be calculated for pure states right now) if(present(Psiinit)) then le = distance(Psi, Psiinit) else le = -10.0_rKind end if write(slog, *) 'time LE', time, LE, ABS(LE)**2 write(slog, *) '' write(Tobs%step_ii, '(I6.6)') ii obsname2 = trim(obsname)//'step_'//Tobs%step_ii//'.dat' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) !if(prop_error('mpdo_timeevo_mpoc: '//& ! 'observe failed.', errst=errst)) return variance = 0.0_rKind end if end if end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) ! Check for energy initialization if(init_energy) then !call meas_mpo(energy, Ham, Psi, errst=errst) !C HECK_if(prop_error('mpdo_timeevo_tensorlistc : '//& !C HECK_ 'meas_mpo (3) failed.', & !C HECK_ errst=errst)) return !init_energy = .false. energy = 1.0_rKind end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_arnoldi(Psi%Superket, mydeltat, Ham, converged, & variance, Cp, init_random, & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order call tebd2(Psi%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(3) ! TDVP (always second order) call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call tdvp2_gen(Psi%Superket, mydeltat, Ham, converged, & variance, Cp, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call lrk2(Psi%Superket, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call lrk4(Psi%Superket, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('mpdo_timeevo_mpoc: '//& ! 'selector for time evo not '//& ! 'valid.', 99, errst=errst) !return stop 'mpdo_timeevo_mpoc: selector for time evo not valid' end select !if(prop_error('mpdo_timeevo_mpoc : time step '//& ! '(2) failed.', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' ! Measurement ! ----------- ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then !call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy !call meas_mpo(energy, Ham, Psi, errst=errst) !C HECK_if(prop_error('mpdo_timeevo_tensorlistc : '//& !C HECK_ 'meas_mpo (4) failed.', & !C HECK_ errst=errst)) return !call destroy(Ham) energy = 0.0_rKind ! Distance (can only be calculated for pure states right now) if(present(Psiinit)) then le = distance(Psi, Psiinit) else le = -10.0_rKind end if write(slog, *) 'time LE', time, LE obsname2 = trim(obsname)//'step_extra.dat' Tobs%step_ii = 'extras' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if end if ! hasextradt call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine mpdo_timeevo_tensorlistc
- TimeEvolutionOps_f90.mpdo_timeevo_qtensorlist()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in real time according to a time evolution method of choice from TEBD2, TEBD4, TDVP2, LRK2, or LRK4.
Arguments
- PsiTYPE(qmpdoc), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(qtensorlist), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
- PsiinitTYPE(qmpdoc), OPTIONAL, inout
Initial state for the measurement of the distance.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine mpdo_timeevo_qtensorlist(Psi, time, Ops, Rs, iop, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, Imapper, Psiinit, errst) use ioops, only : obsunit, quenchunit type(qmpdoc), intent(inout) :: Psi real(KIND=rKind), intent(inout) :: time type(qtensorlist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(qobs_c), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete type(imap), intent(in) :: Imapper type(qmpsc), intent(inout), optional :: Psiinit integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! time step scaled with (- eye) and the additional scalefactor complex(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(qmpoc) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian variance = 0.0_rKind converged = .true. init_energy = .true. ! MPDO is evolved with Hamiltonian mpo_is_hermitian = .false. call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('mpdo_timeevo_qtensorlist : check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:1189', errst=errst)) return ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) ! Check for energy initialization if(init_energy) then !call meas_mpo(energy, Ham, Psi, errst=errst) !C HECK_if(prop_error('mpdo_timeevo_qtensorlist : '//& !C HECK_ 'meas_mpo (1) failed.', & !C HECK_ errst=errst)) return !init_energy = .false. energy = 1.0_rKind end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_arnoldi(Psi%Superket, mydeltat, Ham, converged, & variance, Cp, init_random, & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order ! To-Do : count Lindblad terms and switch to Ham in Liouspace evolution call tebd2(Psi%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(3) ! TDVP (always second order) ! To-Do : count Lindblad terms and switch to Ham in Liouspace evolution call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call tdvp2_gen(Psi%Superket, mydeltat, Ham, converged, & variance, Cp, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call lrk2(Psi%Superket, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call lrk4(Psi%Superket, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('mpdo_timeevo_qmpoc: '//& ! 'selector for time evo not '//& ! 'valid.', 99, errst=errst) !return stop 'mpdo_timeevo_qmpoc: selector for time evo not valid' end select !if(prop_error('mpdo_timeevo_qmpoc : time step '//& ! '(1) failed.', errst=errst)) return end do ! Increment the time time = time + deltat ! Check if there is measurement to carry out ! ------------------------------------------ if(mod(ii, stepsforoutput) == 0) then ! Renormalize call scale(1.0_rKind / norm(Psi), Psi%Superket%AA(Psi%Superket%oc)) ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) !write(slog, *) '' !write(slog, *) 'hp actual', Hparams(whichhpchanged)%s if(.not. skip) then !call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy !call meas_mpo(energy, Ham, Psi, errst=errst) !C HECK_if(prop_error('mpdo_timeevo_qtensorlist : '//& !C HECK_ 'meas_mpo (2) failed.', & !C HECK_ errst=errst)) return !call destroy(Ham) energy = 0.0_rKind ! Distance (can only be calculated for pure states right now) if(present(Psiinit)) then le = distance(Psi, Psiinit) else le = -10.0_rKind end if write(slog, *) 'time LE', time, LE, ABS(LE)**2 write(slog, *) '' write(Tobs%step_ii, '(I6.6)') ii obsname2 = trim(obsname)//'step_'//Tobs%step_ii//'.dat' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) !if(prop_error('mpdo_timeevo_qmpoc: '//& ! 'observe failed.', errst=errst)) return variance = 0.0_rKind end if end if end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) ! Check for energy initialization if(init_energy) then !call meas_mpo(energy, Ham, Psi, errst=errst) !C HECK_if(prop_error('mpdo_timeevo_qtensorlist : '//& !C HECK_ 'meas_mpo (3) failed.', & !C HECK_ errst=errst)) return !init_energy = .false. energy = 1.0_rKind end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_arnoldi(Psi%Superket, mydeltat, Ham, converged, & variance, Cp, init_random, & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order call tebd2(Psi%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(3) ! TDVP (always second order) call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call tdvp2_gen(Psi%Superket, mydeltat, Ham, converged, & variance, Cp, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call lrk2(Psi%Superket, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call lrk4(Psi%Superket, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('mpdo_timeevo_qmpoc: '//& ! 'selector for time evo not '//& ! 'valid.', 99, errst=errst) !return stop 'mpdo_timeevo_qmpoc: selector for time evo not valid' end select !if(prop_error('mpdo_timeevo_qmpoc : time step '//& ! '(2) failed.', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' ! Measurement ! ----------- ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then !call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy !call meas_mpo(energy, Ham, Psi, errst=errst) !C HECK_if(prop_error('mpdo_timeevo_qtensorlist : '//& !C HECK_ 'meas_mpo (4) failed.', & !C HECK_ errst=errst)) return !call destroy(Ham) energy = 0.0_rKind ! Distance (can only be calculated for pure states right now) if(present(Psiinit)) then le = distance(Psi, Psiinit) else le = -10.0_rKind end if write(slog, *) 'time LE', time, LE obsname2 = trim(obsname)//'step_extra.dat' Tobs%step_ii = 'extras' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if end if ! hasextradt call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine mpdo_timeevo_qtensorlist
- TimeEvolutionOps_f90.mpdo_timeevo_qtensorclist()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in real time according to a time evolution method of choice from TEBD2, TEBD4, TDVP2, LRK2, or LRK4.
Arguments
- PsiTYPE(qmpdoc), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(qtensorclist), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
- PsiinitTYPE(qmpdoc), OPTIONAL, inout
Initial state for the measurement of the distance.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine mpdo_timeevo_qtensorclist(Psi, time, Ops, Rs, iop, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, Imapper, Psiinit, errst) use ioops, only : obsunit, quenchunit type(qmpdoc), intent(inout) :: Psi real(KIND=rKind), intent(inout) :: time type(qtensorclist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(qobsc), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete type(imap), intent(in) :: Imapper type(qmpsc), intent(inout), optional :: Psiinit integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! time step scaled with (- eye) and the additional scalefactor complex(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(qmpoc) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian variance = 0.0_rKind converged = .true. init_energy = .true. ! MPDO is evolved with Hamiltonian mpo_is_hermitian = .false. call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('mpdo_timeevo_qtensorclist : check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:1189', errst=errst)) return ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) ! Check for energy initialization if(init_energy) then !call meas_mpo(energy, Ham, Psi, errst=errst) !C HECK_if(prop_error('mpdo_timeevo_qtensorclist : '//& !C HECK_ 'meas_mpo (1) failed.', & !C HECK_ errst=errst)) return !init_energy = .false. energy = 1.0_rKind end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_arnoldi(Psi%Superket, mydeltat, Ham, converged, & variance, Cp, init_random, & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order ! To-Do : count Lindblad terms and switch to Ham in Liouspace evolution call tebd2(Psi%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'N', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(3) ! TDVP (always second order) ! To-Do : count Lindblad terms and switch to Ham in Liouspace evolution call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call tdvp2_gen(Psi%Superket, mydeltat, Ham, converged, & variance, Cp, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call lrk2(Psi%Superket, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call lrk4(Psi%Superket, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'N', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('mpdo_timeevo_qmpoc: '//& ! 'selector for time evo not '//& ! 'valid.', 99, errst=errst) !return stop 'mpdo_timeevo_qmpoc: selector for time evo not valid' end select !if(prop_error('mpdo_timeevo_qmpoc : time step '//& ! '(1) failed.', errst=errst)) return end do ! Increment the time time = time + deltat ! Check if there is measurement to carry out ! ------------------------------------------ if(mod(ii, stepsforoutput) == 0) then ! Renormalize call scale(1.0_rKind / norm(Psi), Psi%Superket%AA(Psi%Superket%oc)) ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) !write(slog, *) '' !write(slog, *) 'hp actual', Hparams(whichhpchanged)%s if(.not. skip) then !call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy !call meas_mpo(energy, Ham, Psi, errst=errst) !C HECK_if(prop_error('mpdo_timeevo_qtensorclist : '//& !C HECK_ 'meas_mpo (2) failed.', & !C HECK_ errst=errst)) return !call destroy(Ham) energy = 0.0_rKind ! Distance (can only be calculated for pure states right now) if(present(Psiinit)) then le = distance(Psi, Psiinit) else le = -10.0_rKind end if write(slog, *) 'time LE', time, LE, ABS(LE)**2 write(slog, *) '' write(Tobs%step_ii, '(I6.6)') ii obsname2 = trim(obsname)//'step_'//Tobs%step_ii//'.dat' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) !if(prop_error('mpdo_timeevo_qmpoc: '//& ! 'observe failed.', errst=errst)) return variance = 0.0_rKind end if end if end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) ! Check for energy initialization if(init_energy) then !call meas_mpo(energy, Ham, Psi, errst=errst) !C HECK_if(prop_error('mpdo_timeevo_qtensorclist : '//& !C HECK_ 'meas_mpo (3) failed.', & !C HECK_ errst=errst)) return !init_energy = .false. energy = 1.0_rKind end if ! Check H | psi > is too small if(abs(energy) < 1e-10) then ! Start with random state instead of guess H | psi > init_random = 'R' else init_random = 'N' end if call krylov_arnoldi(Psi%Superket, mydeltat, Ham, converged, & variance, Cp, init_random, & Rs%pbc, errst=errst) call destroy(Ham) case(1) ! TEBD - 2nd order call tebd2(Psi%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Psi%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', mpo_is_hermitian, & .false., .false., Cp, errst=errst) case(3) ! TDVP (always second order) call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call tdvp2_gen(Psi%Superket, mydeltat, Ham, converged, & variance, Cp, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(4) ! LRK - 2nd order call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call lrk2(Psi%Superket, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case(5) ! LRK - 4th order call ruleset_to_liou_mpo(Ham, Rs, Psi%Superket%ll, Ops, & Hparams, iop) call lrk4(Psi%Superket, mydeltat, Ham, Cp, mpo_is_hermitian, & converged, variance, 'M', Rs%pbc, errst=errst) call destroy(Ham) case default !errst = raise_error('mpdo_timeevo_qmpoc: '//& ! 'selector for time evo not '//& ! 'valid.', 99, errst=errst) !return stop 'mpdo_timeevo_qmpoc: selector for time evo not valid' end select !if(prop_error('mpdo_timeevo_qmpoc : time step '//& ! '(2) failed.', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' ! Measurement ! ----------- ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then !call ruleset_to_ham_mpo(Ham, Rs, Psi%ll, Ops, Hparams, iop) ! calculate energy !call meas_mpo(energy, Ham, Psi, errst=errst) !C HECK_if(prop_error('mpdo_timeevo_qtensorclist : '//& !C HECK_ 'meas_mpo (4) failed.', & !C HECK_ errst=errst)) return !call destroy(Ham) energy = 0.0_rKind ! Distance (can only be calculated for pure states right now) if(present(Psiinit)) then le = distance(Psi, Psiinit) else le = -10.0_rKind end if write(slog, *) 'time LE', time, LE obsname2 = trim(obsname)//'step_extra.dat' Tobs%step_ii = 'extras' call observe(Psi, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if end if ! hasextradt call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine mpdo_timeevo_qtensorclist
- TimeEvolutionOps_f90.lptn_timeevo_mpo()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in real time according to a time evolution method of choice from TEBD2.
Arguments
- RhoTYPE(lptnc), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(tensorlist), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
- PsiinitTYPE(mpsc), OPTIONAL, inout
Initial state for the measurement of the Loschmidt echo.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine lptn_timeevo_mpo(Rho, time, Ops, Rs, iop, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, Imapper, Psiinit, errst) use ioops, only : obsunit, quenchunit type(lptnc), intent(inout) :: Rho real(KIND=rKind), intent(inout) :: time type(tensorlist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(obs_c), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete type(imap), intent(in) :: Imapper type(mpsc), intent(inout), optional :: Psiinit integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! time step scaled with (- eye) and the additional scalefactor complex(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(mpo) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian variance = 0.0_rKind converged = .true. init_energy = .true. ! MPS is evolved with Hamiltonian mpo_is_hermitian = .true. call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('lptn_timeevo_mpo : check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:1697', errst=errst)) return ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method errst = raise_error('lptn_timeevo_mpo : no Krylov.', & 99, 'TimeEvolutionOps_include.f90:1730', errst=errst) return case(1) ! TEBD - 2nd order call tebd2_22122(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, Cp, errst=errst) case(2) ! TEBD - 4th order errst = raise_error('lptn_timeevo_mpo : no TEBD4.', & 99, 'TimeEvolutionOps_include.f90:1742', errst=errst) return case(3) ! TDVP (always second order) errst = raise_error('lptn_timeevo_mpo : no TDVP.', & 99, 'TimeEvolutionOps_include.f90:1748', errst=errst) return case(4) ! LRK - 2nd order errst = raise_error('lptn_timeevo_mpo : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:1754', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('lptn_timeevo_mpo : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:1760', errst=errst) return case default errst = raise_error('mps_timeevo_mpo: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('lptn_timeevo_mpo : time step '//& ! 'failed.', 'TimeEvolutionOps_include.f90:1772', errst=errst)) return end do ! Increment the time time = time + deltat ! Check if there is measurement to carry out ! ------------------------------------------ if(mod(ii, stepsforoutput) == 0) then ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) write(slog, *) '' write(slog, *) 'hp actual', Hparams(whichhpchanged)%s if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Rho%ll, Ops, Hparams, iop) ! calculate energy !call meas_mpo(energy, Ham, Psi) energy = 0.0_rKind call destroy(Ham) ! Loschmidt echo if(present(Psiinit)) then le = distance(Rho, Psiinit, errst=errst) !if(prop_error('lptn_timeevo_mpo : '//& ! 'distance failed', 'TimeEvolutionOps_include.f90:1802', & ! errst=errst)) return else le = 0.0_rKind end if write(slog, *) 'time LE', time, LE, ABS(LE)**2 write(slog, *) '' write(Tobs%step_ii, '(I6.6)') ii obsname2 = trim(obsname)//'step_'//Tobs%step_ii//'.dat' call observe(Rho, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if end if end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method errst = raise_error('lptn_timeevo_mpo : no Krylov.', & 99, 'TimeEvolutionOps_include.f90:1850', errst=errst) return case(1) ! TEBD - 2nd order call tebd2_22122(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, Cp, errst=errst) case(2) ! TEBD - 4th order errst = raise_error('lptn_timeevo_mpo : no TEBD4.', & 99, 'TimeEvolutionOps_include.f90:1862', errst=errst) return case(3) ! TDVP (always second order) errst = raise_error('lptn_timeevo_mpo : no TDVP.', & 99, 'TimeEvolutionOps_include.f90:1868', errst=errst) return case(4) ! LRK - 2nd order errst = raise_error('lptn_timeevo_mpo : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:1874', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('lptn_timeevo_mpo : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:1880', errst=errst) return case default errst = raise_error('mps_timeevo_mpo: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('mps_timeevo_mpo : time step '//& ! '(2) failed.', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' ! Measurement ! ----------- ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Rho%ll, Ops, Hparams, iop) ! calculate energy !call meas_mpo(energy, Ham, Psi) energy = 0.0_rKind call destroy(Ham) ! Loschmidt echo if(present(Psiinit)) then le = distance(Rho, Psiinit) !if(prop_error('lptn_timeevo_mpo : '//& ! 'distance failed', 'TimeEvolutionOps_include.f90:1919', & ! errst=errst)) return else le = 0.0_rKind end if write(slog, *) 'time LE', time, LE obsname2 = trim(obsname)//'step_extra.dat' Tobs%step_ii = 'extras' call observe(Rho, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if end if ! hasextradt call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine lptn_timeevo_mpo
- TimeEvolutionOps_f90.lptn_timeevo_mpoc()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in real time according to a time evolution method of choice from TEBD2.
Arguments
- RhoTYPE(lptnc), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(tensorlistc), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
- PsiinitTYPE(mpsc), OPTIONAL, inout
Initial state for the measurement of the Loschmidt echo.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine lptn_timeevo_mpoc(Rho, time, Ops, Rs, iop, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, Imapper, Psiinit, errst) use ioops, only : obsunit, quenchunit type(lptnc), intent(inout) :: Rho real(KIND=rKind), intent(inout) :: time type(tensorlistc), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(obsc), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete type(imap), intent(in) :: Imapper type(mpsc), intent(inout), optional :: Psiinit integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! time step scaled with (- eye) and the additional scalefactor complex(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(mpoc) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian variance = 0.0_rKind converged = .true. init_energy = .true. ! MPS is evolved with Hamiltonian mpo_is_hermitian = .true. call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('lptn_timeevo_mpoc : check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:1697', errst=errst)) return ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method errst = raise_error('lptn_timeevo_mpoc : no Krylov.', & 99, 'TimeEvolutionOps_include.f90:1730', errst=errst) return case(1) ! TEBD - 2nd order call tebd2_22122(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, Cp, errst=errst) case(2) ! TEBD - 4th order errst = raise_error('lptn_timeevo_mpoc : no TEBD4.', & 99, 'TimeEvolutionOps_include.f90:1742', errst=errst) return case(3) ! TDVP (always second order) errst = raise_error('lptn_timeevo_mpoc : no TDVP.', & 99, 'TimeEvolutionOps_include.f90:1748', errst=errst) return case(4) ! LRK - 2nd order errst = raise_error('lptn_timeevo_mpoc : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:1754', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('lptn_timeevo_mpoc : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:1760', errst=errst) return case default errst = raise_error('mps_timeevo_mpoc: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('lptn_timeevo_mpoc : time step '//& ! 'failed.', 'TimeEvolutionOps_include.f90:1772', errst=errst)) return end do ! Increment the time time = time + deltat ! Check if there is measurement to carry out ! ------------------------------------------ if(mod(ii, stepsforoutput) == 0) then ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) write(slog, *) '' write(slog, *) 'hp actual', Hparams(whichhpchanged)%s if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Rho%ll, Ops, Hparams, iop) ! calculate energy !call meas_mpo(energy, Ham, Psi) energy = 0.0_rKind call destroy(Ham) ! Loschmidt echo if(present(Psiinit)) then le = distance(Rho, Psiinit, errst=errst) !if(prop_error('lptn_timeevo_mpoc : '//& ! 'distance failed', 'TimeEvolutionOps_include.f90:1802', & ! errst=errst)) return else le = 0.0_rKind end if write(slog, *) 'time LE', time, LE, ABS(LE)**2 write(slog, *) '' write(Tobs%step_ii, '(I6.6)') ii obsname2 = trim(obsname)//'step_'//Tobs%step_ii//'.dat' call observe(Rho, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if end if end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method errst = raise_error('lptn_timeevo_mpoc : no Krylov.', & 99, 'TimeEvolutionOps_include.f90:1850', errst=errst) return case(1) ! TEBD - 2nd order call tebd2_22122(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, Cp, errst=errst) case(2) ! TEBD - 4th order errst = raise_error('lptn_timeevo_mpoc : no TEBD4.', & 99, 'TimeEvolutionOps_include.f90:1862', errst=errst) return case(3) ! TDVP (always second order) errst = raise_error('lptn_timeevo_mpoc : no TDVP.', & 99, 'TimeEvolutionOps_include.f90:1868', errst=errst) return case(4) ! LRK - 2nd order errst = raise_error('lptn_timeevo_mpoc : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:1874', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('lptn_timeevo_mpoc : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:1880', errst=errst) return case default errst = raise_error('mps_timeevo_mpoc: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('mps_timeevo_mpoc : time step '//& ! '(2) failed.', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' ! Measurement ! ----------- ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Rho%ll, Ops, Hparams, iop) ! calculate energy !call meas_mpo(energy, Ham, Psi) energy = 0.0_rKind call destroy(Ham) ! Loschmidt echo if(present(Psiinit)) then le = distance(Rho, Psiinit) !if(prop_error('lptn_timeevo_mpoc : '//& ! 'distance failed', 'TimeEvolutionOps_include.f90:1919', & ! errst=errst)) return else le = 0.0_rKind end if write(slog, *) 'time LE', time, LE obsname2 = trim(obsname)//'step_extra.dat' Tobs%step_ii = 'extras' call observe(Rho, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if end if ! hasextradt call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine lptn_timeevo_mpoc
- TimeEvolutionOps_f90.lptn_timeevo_qmpo()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in real time according to a time evolution method of choice from TEBD2.
Arguments
- RhoTYPE(qlptnc), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(qtensorlist), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
- PsiinitTYPE(qmpsc), OPTIONAL, inout
Initial state for the measurement of the Loschmidt echo.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine lptn_timeevo_qmpo(Rho, time, Ops, Rs, iop, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, Imapper, Psiinit, errst) use ioops, only : obsunit, quenchunit type(qlptnc), intent(inout) :: Rho real(KIND=rKind), intent(inout) :: time type(qtensorlist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(qobs_c), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete type(imap), intent(in) :: Imapper type(qmpsc), intent(inout), optional :: Psiinit integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! time step scaled with (- eye) and the additional scalefactor complex(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(qmpo) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian variance = 0.0_rKind converged = .true. init_energy = .true. ! MPS is evolved with Hamiltonian mpo_is_hermitian = .true. call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('lptn_timeevo_qmpo : check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:1697', errst=errst)) return ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method errst = raise_error('lptn_timeevo_qmpo : no Krylov.', & 99, 'TimeEvolutionOps_include.f90:1730', errst=errst) return case(1) ! TEBD - 2nd order call tebd2_22122(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, Cp, errst=errst) case(2) ! TEBD - 4th order errst = raise_error('lptn_timeevo_qmpo : no TEBD4.', & 99, 'TimeEvolutionOps_include.f90:1742', errst=errst) return case(3) ! TDVP (always second order) errst = raise_error('lptn_timeevo_qmpo : no TDVP.', & 99, 'TimeEvolutionOps_include.f90:1748', errst=errst) return case(4) ! LRK - 2nd order errst = raise_error('lptn_timeevo_qmpo : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:1754', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('lptn_timeevo_qmpo : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:1760', errst=errst) return case default errst = raise_error('mps_timeevo_qmpo: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('lptn_timeevo_qmpo : time step '//& ! 'failed.', 'TimeEvolutionOps_include.f90:1772', errst=errst)) return end do ! Increment the time time = time + deltat ! Check if there is measurement to carry out ! ------------------------------------------ if(mod(ii, stepsforoutput) == 0) then ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) write(slog, *) '' write(slog, *) 'hp actual', Hparams(whichhpchanged)%s if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Rho%ll, Ops, Hparams, iop) ! calculate energy !call meas_mpo(energy, Ham, Psi) energy = 0.0_rKind call destroy(Ham) ! Loschmidt echo if(present(Psiinit)) then le = distance(Rho, Psiinit, errst=errst) !if(prop_error('lptn_timeevo_qmpo : '//& ! 'distance failed', 'TimeEvolutionOps_include.f90:1802', & ! errst=errst)) return else le = 0.0_rKind end if write(slog, *) 'time LE', time, LE, ABS(LE)**2 write(slog, *) '' write(Tobs%step_ii, '(I6.6)') ii obsname2 = trim(obsname)//'step_'//Tobs%step_ii//'.dat' call observe(Rho, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if end if end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method errst = raise_error('lptn_timeevo_qmpo : no Krylov.', & 99, 'TimeEvolutionOps_include.f90:1850', errst=errst) return case(1) ! TEBD - 2nd order call tebd2_22122(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, Cp, errst=errst) case(2) ! TEBD - 4th order errst = raise_error('lptn_timeevo_qmpo : no TEBD4.', & 99, 'TimeEvolutionOps_include.f90:1862', errst=errst) return case(3) ! TDVP (always second order) errst = raise_error('lptn_timeevo_qmpo : no TDVP.', & 99, 'TimeEvolutionOps_include.f90:1868', errst=errst) return case(4) ! LRK - 2nd order errst = raise_error('lptn_timeevo_qmpo : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:1874', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('lptn_timeevo_qmpo : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:1880', errst=errst) return case default errst = raise_error('mps_timeevo_qmpo: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('mps_timeevo_qmpo : time step '//& ! '(2) failed.', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' ! Measurement ! ----------- ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Rho%ll, Ops, Hparams, iop) ! calculate energy !call meas_mpo(energy, Ham, Psi) energy = 0.0_rKind call destroy(Ham) ! Loschmidt echo if(present(Psiinit)) then le = distance(Rho, Psiinit) !if(prop_error('lptn_timeevo_qmpo : '//& ! 'distance failed', 'TimeEvolutionOps_include.f90:1919', & ! errst=errst)) return else le = 0.0_rKind end if write(slog, *) 'time LE', time, LE obsname2 = trim(obsname)//'step_extra.dat' Tobs%step_ii = 'extras' call observe(Rho, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if end if ! hasextradt call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine lptn_timeevo_qmpo
- TimeEvolutionOps_f90.lptn_timeevo_qmpoc()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in real time according to a time evolution method of choice from TEBD2.
Arguments
- RhoTYPE(qlptnc), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(qtensorclist), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
- PsiinitTYPE(qmpsc), OPTIONAL, inout
Initial state for the measurement of the Loschmidt echo.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine lptn_timeevo_qmpoc(Rho, time, Ops, Rs, iop, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, Imapper, Psiinit, errst) use ioops, only : obsunit, quenchunit type(qlptnc), intent(inout) :: Rho real(KIND=rKind), intent(inout) :: time type(qtensorclist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(qobsc), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete type(imap), intent(in) :: Imapper type(qmpsc), intent(inout), optional :: Psiinit integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! time step scaled with (- eye) and the additional scalefactor complex(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(qmpoc) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian variance = 0.0_rKind converged = .true. init_energy = .true. ! MPS is evolved with Hamiltonian mpo_is_hermitian = .true. call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('lptn_timeevo_qmpoc : check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:1697', errst=errst)) return ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method errst = raise_error('lptn_timeevo_qmpoc : no Krylov.', & 99, 'TimeEvolutionOps_include.f90:1730', errst=errst) return case(1) ! TEBD - 2nd order call tebd2_22122(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, Cp, errst=errst) case(2) ! TEBD - 4th order errst = raise_error('lptn_timeevo_qmpoc : no TEBD4.', & 99, 'TimeEvolutionOps_include.f90:1742', errst=errst) return case(3) ! TDVP (always second order) errst = raise_error('lptn_timeevo_qmpoc : no TDVP.', & 99, 'TimeEvolutionOps_include.f90:1748', errst=errst) return case(4) ! LRK - 2nd order errst = raise_error('lptn_timeevo_qmpoc : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:1754', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('lptn_timeevo_qmpoc : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:1760', errst=errst) return case default errst = raise_error('mps_timeevo_qmpoc: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('lptn_timeevo_qmpoc : time step '//& ! 'failed.', 'TimeEvolutionOps_include.f90:1772', errst=errst)) return end do ! Increment the time time = time + deltat ! Check if there is measurement to carry out ! ------------------------------------------ if(mod(ii, stepsforoutput) == 0) then ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) write(slog, *) '' write(slog, *) 'hp actual', Hparams(whichhpchanged)%s if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Rho%ll, Ops, Hparams, iop) ! calculate energy !call meas_mpo(energy, Ham, Psi) energy = 0.0_rKind call destroy(Ham) ! Loschmidt echo if(present(Psiinit)) then le = distance(Rho, Psiinit, errst=errst) !if(prop_error('lptn_timeevo_qmpoc : '//& ! 'distance failed', 'TimeEvolutionOps_include.f90:1802', & ! errst=errst)) return else le = 0.0_rKind end if write(slog, *) 'time LE', time, LE, ABS(LE)**2 write(slog, *) '' write(Tobs%step_ii, '(I6.6)') ii obsname2 = trim(obsname)//'step_'//Tobs%step_ii//'.dat' call observe(Rho, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if end if end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - eye * scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method errst = raise_error('lptn_timeevo_qmpoc : no Krylov.', & 99, 'TimeEvolutionOps_include.f90:1850', errst=errst) return case(1) ! TEBD - 2nd order call tebd2_22122(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, Cp, errst=errst) case(2) ! TEBD - 4th order errst = raise_error('lptn_timeevo_qmpoc : no TEBD4.', & 99, 'TimeEvolutionOps_include.f90:1862', errst=errst) return case(3) ! TDVP (always second order) errst = raise_error('lptn_timeevo_qmpoc : no TDVP.', & 99, 'TimeEvolutionOps_include.f90:1868', errst=errst) return case(4) ! LRK - 2nd order errst = raise_error('lptn_timeevo_qmpoc : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:1874', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('lptn_timeevo_qmpoc : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:1880', errst=errst) return case default errst = raise_error('mps_timeevo_qmpoc: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('mps_timeevo_qmpoc : time step '//& ! '(2) failed.', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' ! Measurement ! ----------- ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Rho%ll, Ops, Hparams, iop) ! calculate energy !call meas_mpo(energy, Ham, Psi) energy = 0.0_rKind call destroy(Ham) ! Loschmidt echo if(present(Psiinit)) then le = distance(Rho, Psiinit) !if(prop_error('lptn_timeevo_qmpoc : '//& ! 'distance failed', 'TimeEvolutionOps_include.f90:1919', & ! errst=errst)) return else le = 0.0_rKind end if write(slog, *) 'time LE', time, LE obsname2 = trim(obsname)//'step_extra.dat' Tobs%step_ii = 'extras' call observe(Rho, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if end if ! hasextradt call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine lptn_timeevo_qmpoc
- TimeEvolutionOps_f90.check_pbc_evomethod()[source]¶
fortran-subroutine - February 2019 (dj) Checks that PBC are only enabled for TEBD using matrix exponentials.
Arguments
- pbcLOGICAL, in
Flag on periodic boundary conditions.
- evomethodINTEGER, in
Flag on time evolution method.
- ktebdINTEGER, in
Flag on usage of Krylov-TEBD or matrix exponential TEBD.
Source Code
show / hide f90 codesubroutine check_pbc_evomethod(pbc, evomethod, ktebd, errst) logical, intent(in) :: pbc integer, intent(in) :: evomethod, ktebd integer, intent(out), optional :: errst ! No local variables !if(present(errst)) errst = 0 if(pbc) then if(.not. ((evomethod == 1) .or. (evomethod == 2))) then errst = raise_error('mps_timeevo_MPO_TYPE: time evolution'//& ' method not enabled with PBC.', 99, 'TimeEvolutionOps_include.f90:1990', & errst=errst) return elseif(ktebd == 1) then ! KTEBD could work if no overlaps are stored, where ! a permutation would be problem. We enable KTEBD ! if somebody really needs this after we checked it errst = raise_error('mps_timeevo_MPO_TYPE: KTEBD'//& ' method not enabled yet with PBC.', 99, 'TimeEvolutionOps_include.f90:1998', & errst=errst) return end if end if end subroutine check_pbc_evomethod
- TimeEvolutionOps_f90.quantum_jump_lexp_tensorlist()[source]¶
fortran-subroutine - December 2017 (dj) Calculate the unweighted probability for a quantum jump due to a Lindblad exponential operator.
Arguments
- PsiTYPE(mpsc), inout
Calculate the probability for this wave-function.
- OperatorsTYPE(tensorlist), inout
The operators for the simulations, containing the Lindblad operators.
- RsTYPE(MPORuleSet), in
The rule set for the evolution containing the setup for the Lindblad exponential term.
- HparamsTYPE(HamiltonianParameters)(*), in
Contains the possibly space and time dependent coupling for the terms in the Lindblad master equation.
- xxINTEGER, in
The left-most site in the Lindblad exponential term.
- rrINTEGER, in
Select the rule set of Lindblad exponential terms in the array of all many-body string Lindblad terms.
- idxINTEGER, inout
Next entry to be set in array
sc.- scREAL(*), inout
Unweighted probability of the exponential rule set.
Source Code
show / hide f90 codesubroutine quantum_jump_lexp_tensorlist(Psi, Ops, Rs, Hparams, xx, & rr, idx, sc, errst) type(mpsc), intent(inout) :: Psi type(tensorlist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs type(HamiltonianParameters), pointer, intent(in) :: Hparams(:) integer, intent(in) :: xx, rr integer, intent(inout) :: idx real(KIND=rKind), dimension(:), intent(inout) :: sc integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping integer :: ii ! Coupling for the Lindblad operator real(KIND=rKind) :: coupl ! outcome of measurement (is in general complex) complex(KIND=rKind) :: csc ! Intermediate result for correlation measurement type(tensorc) :: Ltheta ! Temporary operators type(tensor) :: Tmp, Tmpd coupl = sqrt(Rs%Lexp(rr)%w * get_coupl(Hparams, Rs%Lexp(rr)%h, xx)) ! Get temporary operator and initialize correlation measurement call contr(Tmp, Ops%Li(Rs%Lexp(rr)%ol), Ops%Li(Rs%Lexp(rr)%ol), & [1], [1], transl='C') call corr_init_mps(Psi%Aa(xx), Ltheta, Tmp) call destroy(Tmp) ! Get temporary operators for phase operator and right operator call contr(Tmp, Ops%Li(Rs%Lexp(rr)%or), Ops%Li(Rs%Lexp(rr)%or), & [1], [1], transl='C') call contr(Tmpd, Ops%Li(Rs%Lexp(rr)%od), Ops%Li(Rs%Lexp(rr)%od), & [1], [1], transl='C') call scale(Rs%Lexp(rr)%dp**2, Tmpd) do ii = (xx + 1), Psi%ll call corr_meas_mps(csc, Psi%Aa(ii), ii, Psi%ll, & Ltheta, Tmp, Tmpd, .true., errst=errst) !if(prop_error('quantum_jump_nlexp_tensorlist : '//& ! 'corr_meas_mps failed.', 'TimeEvolutionOps_include.f90:2615', & ! errst=errst)) return sc(idx) = coupl**2 * real(csc, KIND=rKind) idx = idx + 1 end do call destroy(Tmp) call destroy(Tmpd) ! Ltheta is always destroyed; xx is never Psi%ll end subroutine quantum_jump_lexp_tensorlist
- TimeEvolutionOps_f90.quantum_jump_lexp_tensorlistc()[source]¶
fortran-subroutine - December 2017 (dj) Calculate the unweighted probability for a quantum jump due to a Lindblad exponential operator.
Arguments
- PsiTYPE(mpsc), inout
Calculate the probability for this wave-function.
- OperatorsTYPE(tensorlistc), inout
The operators for the simulations, containing the Lindblad operators.
- RsTYPE(MPORuleSet), in
The rule set for the evolution containing the setup for the Lindblad exponential term.
- HparamsTYPE(HamiltonianParameters)(*), in
Contains the possibly space and time dependent coupling for the terms in the Lindblad master equation.
- xxINTEGER, in
The left-most site in the Lindblad exponential term.
- rrINTEGER, in
Select the rule set of Lindblad exponential terms in the array of all many-body string Lindblad terms.
- idxINTEGER, inout
Next entry to be set in array
sc.- scREAL(*), inout
Unweighted probability of the exponential rule set.
Source Code
show / hide f90 codesubroutine quantum_jump_lexp_tensorlistc(Psi, Ops, Rs, Hparams, xx, & rr, idx, sc, errst) type(mpsc), intent(inout) :: Psi type(tensorlistc), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs type(HamiltonianParameters), pointer, intent(in) :: Hparams(:) integer, intent(in) :: xx, rr integer, intent(inout) :: idx real(KIND=rKind), dimension(:), intent(inout) :: sc integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping integer :: ii ! Coupling for the Lindblad operator real(KIND=rKind) :: coupl ! outcome of measurement (is in general complex) complex(KIND=rKind) :: csc ! Intermediate result for correlation measurement type(tensorc) :: Ltheta ! Temporary operators type(tensorc) :: Tmp, Tmpd coupl = sqrt(Rs%Lexp(rr)%w * get_coupl(Hparams, Rs%Lexp(rr)%h, xx)) ! Get temporary operator and initialize correlation measurement call contr(Tmp, Ops%Li(Rs%Lexp(rr)%ol), Ops%Li(Rs%Lexp(rr)%ol), & [1], [1], transl='C') call corr_init_mps(Psi%Aa(xx), Ltheta, Tmp) call destroy(Tmp) ! Get temporary operators for phase operator and right operator call contr(Tmp, Ops%Li(Rs%Lexp(rr)%or), Ops%Li(Rs%Lexp(rr)%or), & [1], [1], transl='C') call contr(Tmpd, Ops%Li(Rs%Lexp(rr)%od), Ops%Li(Rs%Lexp(rr)%od), & [1], [1], transl='C') call scale(Rs%Lexp(rr)%dp**2, Tmpd) do ii = (xx + 1), Psi%ll call corr_meas_mps(csc, Psi%Aa(ii), ii, Psi%ll, & Ltheta, Tmp, Tmpd, .true., errst=errst) !if(prop_error('quantum_jump_nlexp_tensorlistc : '//& ! 'corr_meas_mps failed.', 'TimeEvolutionOps_include.f90:2615', & ! errst=errst)) return sc(idx) = coupl**2 * real(csc, KIND=rKind) idx = idx + 1 end do call destroy(Tmp) call destroy(Tmpd) ! Ltheta is always destroyed; xx is never Psi%ll end subroutine quantum_jump_lexp_tensorlistc
- TimeEvolutionOps_f90.quantum_jump_lexp_qtensorlist()[source]¶
fortran-subroutine - December 2017 (dj) Calculate the unweighted probability for a quantum jump due to a Lindblad exponential operator.
Arguments
- PsiTYPE(qmpsc), inout
Calculate the probability for this wave-function.
- OperatorsTYPE(qtensorlist), inout
The operators for the simulations, containing the Lindblad operators.
- RsTYPE(MPORuleSet), in
The rule set for the evolution containing the setup for the Lindblad exponential term.
- HparamsTYPE(HamiltonianParameters)(*), in
Contains the possibly space and time dependent coupling for the terms in the Lindblad master equation.
- xxINTEGER, in
The left-most site in the Lindblad exponential term.
- rrINTEGER, in
Select the rule set of Lindblad exponential terms in the array of all many-body string Lindblad terms.
- idxINTEGER, inout
Next entry to be set in array
sc.- scREAL(*), inout
Unweighted probability of the exponential rule set.
Source Code
show / hide f90 codesubroutine quantum_jump_lexp_qtensorlist(Psi, Ops, Rs, Hparams, xx, & rr, idx, sc, errst) type(qmpsc), intent(inout) :: Psi type(qtensorlist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs type(HamiltonianParameters), pointer, intent(in) :: Hparams(:) integer, intent(in) :: xx, rr integer, intent(inout) :: idx real(KIND=rKind), dimension(:), intent(inout) :: sc integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping integer :: ii ! Coupling for the Lindblad operator real(KIND=rKind) :: coupl ! outcome of measurement (is in general complex) complex(KIND=rKind) :: csc ! Intermediate result for correlation measurement type(qtensorc) :: Ltheta ! Temporary operators type(qtensor) :: Tmp, Tmpd coupl = sqrt(Rs%Lexp(rr)%w * get_coupl(Hparams, Rs%Lexp(rr)%h, xx)) ! Get temporary operator and initialize correlation measurement call contr(Tmp, Ops%Li(Rs%Lexp(rr)%ol), Ops%Li(Rs%Lexp(rr)%ol), & [1], [1], transl='C') call corr_init_mps(Psi%Aa(xx), Ltheta, Tmp) call destroy(Tmp) ! Get temporary operators for phase operator and right operator call contr(Tmp, Ops%Li(Rs%Lexp(rr)%or), Ops%Li(Rs%Lexp(rr)%or), & [1], [1], transl='C') call contr(Tmpd, Ops%Li(Rs%Lexp(rr)%od), Ops%Li(Rs%Lexp(rr)%od), & [1], [1], transl='C') call scale(Rs%Lexp(rr)%dp**2, Tmpd) do ii = (xx + 1), Psi%ll call corr_meas_mps(csc, Psi%Aa(ii), ii, Psi%ll, & Ltheta, Tmp, Tmpd, .true., errst=errst) !if(prop_error('quantum_jump_nlexp_qtensorlist : '//& ! 'corr_meas_mps failed.', 'TimeEvolutionOps_include.f90:2615', & ! errst=errst)) return sc(idx) = coupl**2 * real(csc, KIND=rKind) idx = idx + 1 end do call destroy(Tmp) call destroy(Tmpd) ! Ltheta is always destroyed; xx is never Psi%ll end subroutine quantum_jump_lexp_qtensorlist
- TimeEvolutionOps_f90.quantum_jump_lexp_qtensorclist()[source]¶
fortran-subroutine - December 2017 (dj) Calculate the unweighted probability for a quantum jump due to a Lindblad exponential operator.
Arguments
- PsiTYPE(qmpsc), inout
Calculate the probability for this wave-function.
- OperatorsTYPE(qtensorclist), inout
The operators for the simulations, containing the Lindblad operators.
- RsTYPE(MPORuleSet), in
The rule set for the evolution containing the setup for the Lindblad exponential term.
- HparamsTYPE(HamiltonianParameters)(*), in
Contains the possibly space and time dependent coupling for the terms in the Lindblad master equation.
- xxINTEGER, in
The left-most site in the Lindblad exponential term.
- rrINTEGER, in
Select the rule set of Lindblad exponential terms in the array of all many-body string Lindblad terms.
- idxINTEGER, inout
Next entry to be set in array
sc.- scREAL(*), inout
Unweighted probability of the exponential rule set.
Source Code
show / hide f90 codesubroutine quantum_jump_lexp_qtensorclist(Psi, Ops, Rs, Hparams, xx, & rr, idx, sc, errst) type(qmpsc), intent(inout) :: Psi type(qtensorclist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs type(HamiltonianParameters), pointer, intent(in) :: Hparams(:) integer, intent(in) :: xx, rr integer, intent(inout) :: idx real(KIND=rKind), dimension(:), intent(inout) :: sc integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping integer :: ii ! Coupling for the Lindblad operator real(KIND=rKind) :: coupl ! outcome of measurement (is in general complex) complex(KIND=rKind) :: csc ! Intermediate result for correlation measurement type(qtensorc) :: Ltheta ! Temporary operators type(qtensorc) :: Tmp, Tmpd coupl = sqrt(Rs%Lexp(rr)%w * get_coupl(Hparams, Rs%Lexp(rr)%h, xx)) ! Get temporary operator and initialize correlation measurement call contr(Tmp, Ops%Li(Rs%Lexp(rr)%ol), Ops%Li(Rs%Lexp(rr)%ol), & [1], [1], transl='C') call corr_init_mps(Psi%Aa(xx), Ltheta, Tmp) call destroy(Tmp) ! Get temporary operators for phase operator and right operator call contr(Tmp, Ops%Li(Rs%Lexp(rr)%or), Ops%Li(Rs%Lexp(rr)%or), & [1], [1], transl='C') call contr(Tmpd, Ops%Li(Rs%Lexp(rr)%od), Ops%Li(Rs%Lexp(rr)%od), & [1], [1], transl='C') call scale(Rs%Lexp(rr)%dp**2, Tmpd) do ii = (xx + 1), Psi%ll call corr_meas_mps(csc, Psi%Aa(ii), ii, Psi%ll, & Ltheta, Tmp, Tmpd, .true., errst=errst) !if(prop_error('quantum_jump_nlexp_qtensorclist : '//& ! 'corr_meas_mps failed.', 'TimeEvolutionOps_include.f90:2615', & ! errst=errst)) return sc(idx) = coupl**2 * real(csc, KIND=rKind) idx = idx + 1 end do call destroy(Tmp) call destroy(Tmpd) ! Ltheta is always destroyed; xx is never Psi%ll end subroutine quantum_jump_lexp_qtensorclist
- TimeEvolutionOps_f90.quantum_jump_mbsl_tensorlist()[source]¶
fortran-subroutine - November 2017 (dj) Calculate the unweighted probability for a quantum jump due to a many-body string Lindblad operator.
Arguments
- PsiTYPE(mpsc), inout
Calculate the probability for this wave-function.
- OperatorsTYPE(tensorlist), inout
The operators for the simulations, containing the Lindblad operators.
- RsTYPE(MPORuleSet), in
The rule set for the evolution containing the setup for the many-body string Lindblad term.
- HparamsTYPE(HamiltonianParameters)(*), in
Contains the possibly space and time dependent coupling for the terms in the Lindblad master equation.
- xxINTEGER, in
The left-most site in the many-body string Lindblad term.
- rrINTEGER, in
Select the rule set of many-body string Lindblad term in the array of all many-body string Lindblad terms.
- scREAL, out
Unweighted probability.
Source Code
show / hide f90 codesubroutine quantum_jump_mbsl_tensorlist(Psi, Operators, Rs, Hparams, xx, & rr, sc, errst) type(mpsc), intent(inout) :: Psi type(tensorlist), intent(inout) :: Operators type(MPORuleSet), intent(in) :: Rs type(HamiltonianParameters), pointer, intent(in) :: Hparams(:) integer, intent(in) :: xx, rr real(KIND=rKind), intent(out) :: sc integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping integer :: ii ! Coupling of this MBS Lindblad operator real(KIND=rKind) :: coupl ! temporary tensor for contraction type(tensorc) :: Tmp ! Parts of the MPS type(mpsc) :: Phi !if(present(errst)) errst = 0 call copy(Phi, Psi, xx, xx + Rs%Mbsl(rr)%n - 1, errst=errst) !if(prop_error('quantum_jump_mbsl_tensorlist : copy failed.', & ! 'TimeEvolutionOps_include.f90:2719', errst=errst)) return coupl = sqrt(Rs%Mbsl(rr)%w * get_coupl(Hparams, Rs%Mbsl(rr)%h, xx)) do ii = 1, Rs%Mbsl(rr)%n call mcontr(Tmp, Phi%Aa(ii), Operators%Li(Rs%Mbsl(rr)%o(ii)), & [2], [2], errst=errst) !if(prop_error('quantum_jump_mbsl_tensorlist : mcontr '//& ! 'failed.', 'TimeEvolutionOps_include.f90:2727', errst=errst)) return call destroy(Phi%Aa(ii)) call copy(Phi%Aa(ii), Tmp) call destroy(Tmp) end do call canonize(Phi, 1) sc = coupl**2 * norm(Phi) call destroy(Phi) end subroutine quantum_jump_mbsl_tensorlist
- TimeEvolutionOps_f90.quantum_jump_mbsl_tensorlistc()[source]¶
fortran-subroutine - November 2017 (dj) Calculate the unweighted probability for a quantum jump due to a many-body string Lindblad operator.
Arguments
- PsiTYPE(mpsc), inout
Calculate the probability for this wave-function.
- OperatorsTYPE(tensorlistc), inout
The operators for the simulations, containing the Lindblad operators.
- RsTYPE(MPORuleSet), in
The rule set for the evolution containing the setup for the many-body string Lindblad term.
- HparamsTYPE(HamiltonianParameters)(*), in
Contains the possibly space and time dependent coupling for the terms in the Lindblad master equation.
- xxINTEGER, in
The left-most site in the many-body string Lindblad term.
- rrINTEGER, in
Select the rule set of many-body string Lindblad term in the array of all many-body string Lindblad terms.
- scREAL, out
Unweighted probability.
Source Code
show / hide f90 codesubroutine quantum_jump_mbsl_tensorlistc(Psi, Operators, Rs, Hparams, xx, & rr, sc, errst) type(mpsc), intent(inout) :: Psi type(tensorlistc), intent(inout) :: Operators type(MPORuleSet), intent(in) :: Rs type(HamiltonianParameters), pointer, intent(in) :: Hparams(:) integer, intent(in) :: xx, rr real(KIND=rKind), intent(out) :: sc integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping integer :: ii ! Coupling of this MBS Lindblad operator real(KIND=rKind) :: coupl ! temporary tensor for contraction type(tensorc) :: Tmp ! Parts of the MPS type(mpsc) :: Phi !if(present(errst)) errst = 0 call copy(Phi, Psi, xx, xx + Rs%Mbsl(rr)%n - 1, errst=errst) !if(prop_error('quantum_jump_mbsl_tensorlistc : copy failed.', & ! 'TimeEvolutionOps_include.f90:2719', errst=errst)) return coupl = sqrt(Rs%Mbsl(rr)%w * get_coupl(Hparams, Rs%Mbsl(rr)%h, xx)) do ii = 1, Rs%Mbsl(rr)%n call mcontr(Tmp, Phi%Aa(ii), Operators%Li(Rs%Mbsl(rr)%o(ii)), & [2], [2], errst=errst) !if(prop_error('quantum_jump_mbsl_tensorlistc : mcontr '//& ! 'failed.', 'TimeEvolutionOps_include.f90:2727', errst=errst)) return call destroy(Phi%Aa(ii)) call copy(Phi%Aa(ii), Tmp) call destroy(Tmp) end do call canonize(Phi, 1) sc = coupl**2 * norm(Phi) call destroy(Phi) end subroutine quantum_jump_mbsl_tensorlistc
- TimeEvolutionOps_f90.quantum_jump_mbsl_qtensorlist()[source]¶
fortran-subroutine - November 2017 (dj) Calculate the unweighted probability for a quantum jump due to a many-body string Lindblad operator.
Arguments
- PsiTYPE(qmpsc), inout
Calculate the probability for this wave-function.
- OperatorsTYPE(qtensorlist), inout
The operators for the simulations, containing the Lindblad operators.
- RsTYPE(MPORuleSet), in
The rule set for the evolution containing the setup for the many-body string Lindblad term.
- HparamsTYPE(HamiltonianParameters)(*), in
Contains the possibly space and time dependent coupling for the terms in the Lindblad master equation.
- xxINTEGER, in
The left-most site in the many-body string Lindblad term.
- rrINTEGER, in
Select the rule set of many-body string Lindblad term in the array of all many-body string Lindblad terms.
- scREAL, out
Unweighted probability.
Source Code
show / hide f90 codesubroutine quantum_jump_mbsl_qtensorlist(Psi, Operators, Rs, Hparams, xx, & rr, sc, errst) type(qmpsc), intent(inout) :: Psi type(qtensorlist), intent(inout) :: Operators type(MPORuleSet), intent(in) :: Rs type(HamiltonianParameters), pointer, intent(in) :: Hparams(:) integer, intent(in) :: xx, rr real(KIND=rKind), intent(out) :: sc integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping integer :: ii ! Coupling of this MBS Lindblad operator real(KIND=rKind) :: coupl ! temporary tensor for contraction type(qtensorc) :: Tmp ! Parts of the MPS type(qmpsc) :: Phi !if(present(errst)) errst = 0 call copy(Phi, Psi, xx, xx + Rs%Mbsl(rr)%n - 1, errst=errst) !if(prop_error('quantum_jump_mbsl_qtensorlist : copy failed.', & ! 'TimeEvolutionOps_include.f90:2719', errst=errst)) return coupl = sqrt(Rs%Mbsl(rr)%w * get_coupl(Hparams, Rs%Mbsl(rr)%h, xx)) do ii = 1, Rs%Mbsl(rr)%n call mcontr(Tmp, Phi%Aa(ii), Operators%Li(Rs%Mbsl(rr)%o(ii)), & [2], [2], errst=errst) !if(prop_error('quantum_jump_mbsl_qtensorlist : mcontr '//& ! 'failed.', 'TimeEvolutionOps_include.f90:2727', errst=errst)) return call destroy(Phi%Aa(ii)) call copy(Phi%Aa(ii), Tmp) call destroy(Tmp) end do call canonize(Phi, 1) sc = coupl**2 * norm(Phi) call destroy(Phi) end subroutine quantum_jump_mbsl_qtensorlist
- TimeEvolutionOps_f90.quantum_jump_mbsl_qtensorclist()[source]¶
fortran-subroutine - November 2017 (dj) Calculate the unweighted probability for a quantum jump due to a many-body string Lindblad operator.
Arguments
- PsiTYPE(qmpsc), inout
Calculate the probability for this wave-function.
- OperatorsTYPE(qtensorclist), inout
The operators for the simulations, containing the Lindblad operators.
- RsTYPE(MPORuleSet), in
The rule set for the evolution containing the setup for the many-body string Lindblad term.
- HparamsTYPE(HamiltonianParameters)(*), in
Contains the possibly space and time dependent coupling for the terms in the Lindblad master equation.
- xxINTEGER, in
The left-most site in the many-body string Lindblad term.
- rrINTEGER, in
Select the rule set of many-body string Lindblad term in the array of all many-body string Lindblad terms.
- scREAL, out
Unweighted probability.
Source Code
show / hide f90 codesubroutine quantum_jump_mbsl_qtensorclist(Psi, Operators, Rs, Hparams, xx, & rr, sc, errst) type(qmpsc), intent(inout) :: Psi type(qtensorclist), intent(inout) :: Operators type(MPORuleSet), intent(in) :: Rs type(HamiltonianParameters), pointer, intent(in) :: Hparams(:) integer, intent(in) :: xx, rr real(KIND=rKind), intent(out) :: sc integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping integer :: ii ! Coupling of this MBS Lindblad operator real(KIND=rKind) :: coupl ! temporary tensor for contraction type(qtensorc) :: Tmp ! Parts of the MPS type(qmpsc) :: Phi !if(present(errst)) errst = 0 call copy(Phi, Psi, xx, xx + Rs%Mbsl(rr)%n - 1, errst=errst) !if(prop_error('quantum_jump_mbsl_qtensorclist : copy failed.', & ! 'TimeEvolutionOps_include.f90:2719', errst=errst)) return coupl = sqrt(Rs%Mbsl(rr)%w * get_coupl(Hparams, Rs%Mbsl(rr)%h, xx)) do ii = 1, Rs%Mbsl(rr)%n call mcontr(Tmp, Phi%Aa(ii), Operators%Li(Rs%Mbsl(rr)%o(ii)), & [2], [2], errst=errst) !if(prop_error('quantum_jump_mbsl_qtensorclist : mcontr '//& ! 'failed.', 'TimeEvolutionOps_include.f90:2727', errst=errst)) return call destroy(Phi%Aa(ii)) call copy(Phi%Aa(ii), Tmp) call destroy(Tmp) end do call canonize(Phi, 1) sc = coupl**2 * norm(Phi) call destroy(Phi) end subroutine quantum_jump_mbsl_qtensorclist
- TimeEvolutionOps_f90.quantum_jump_mbslxy_tensorlist()[source]¶
fortran-subroutine - March 2018 (dj) Calculate the unweighted probability for a quantum jump due to a many-body string Lindblad XY operator.
Arguments
- PsiTYPE(mpsc), inout
Calculate the probability for this wave-function.
- OperatorsTYPE(tensorlist), inout
The operators for the simulations, containing the Lindblad operators.
- RsTYPE(MPORuleSet), in
The rule set for the evolution containing the setup for the many-body string Lindblad XY term.
- HparamsTYPE(HamiltonianParameters)(*), in
Contains the possibly space and time dependent coupling for the terms in the Lindblad master equation.
- xxINTEGER, in
The left-most site in the many-body string Lindblad term.
- rrINTEGER, in
Select the rule set of many-body string Lindblad term in the array of all many-body string Lindblad terms.
- scREAL, out
Unweighted probability.
Source Code
show / hide f90 codesubroutine quantum_jump_mbslxy_tensorlist(Psi, Operators, Rs, Hparams, xx, & rr, sc, errst) type(mpsc), intent(inout) :: Psi type(tensorlist), intent(inout) :: Operators type(MPORuleSet), intent(in) :: Rs type(HamiltonianParameters), pointer, intent(in) :: Hparams(:) integer, intent(in) :: xx, rr real(KIND=rKind), intent(out) :: sc integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping integer :: ii ! offset for MBSLXY term integer :: os ! Coupling of this MBS Lindblad operator real(KIND=rKind) :: coupl ! overlap between two states complex(KIND=rKind) :: overlap ! temporary tensor for contraction type(tensorc) :: Tmp ! Parts of the MPS type(mpsc) :: Phia, Phib !if(present(errst)) errst = 0 call copy(Phia, Psi, xx, xx + Rs%Mbslxy(rr)%n - 1, errst=errst) !if(prop_error('quantum_jump_mbslxy_tensorlist : copy failed.', & ! 'TimeEvolutionOps_include.f90:2838', errst=errst)) return call copy(Phib, Psi, xx, xx + Rs%Mbslxy(rr)%n - 1, errst=errst) !if(prop_error('quantum_jump_mbslxy_tensorlist : copy failed.', & ! 'TimeEvolutionOps_include.f90:2842', errst=errst)) return coupl = Rs%Mbslxy(rr)%w * get_coupl(Hparams, Rs%Mbslxy(rr)%h, xx) do ii = 1, Rs%Mbslxy(rr)%n call mcontr(Tmp, Phia%Aa(ii), Operators%Li(Rs%Mbslxy(rr)%o(ii)), & [2], [2], errst=errst) !if(prop_error('quantum_jump_mbslxy_tensorlist : mcontr '//& ! 'failed.', 'TimeEvolutionOps_include.f90:2850', errst=errst)) return call destroy(Phia%Aa(ii)) call copy(Phia%Aa(ii), Tmp) call destroy(Tmp) end do os = Rs%Mbslxy(rr)%n do ii = 1, Rs%Mbslxy(rr)%n call mcontr(Tmp, Phib%Aa(ii), Operators%Li(Rs%Mbslxy(rr)%o(os + ii)), & [2], [2], errst=errst) !if(prop_error('quantum_jump_mbslxy_tensorlist : mcontr '//& ! 'failed.', 'TimeEvolutionOps_include.f90:2862', errst=errst)) return call destroy(Phib%Aa(ii)) call copy(Phib%Aa(ii), Tmp) call destroy(Tmp) end do overlap = dot(Phib, Phia, errst=errst) !if(prop_error('quantum_jump_mbslxy_tensorlist : dot '//& ! 'failed.', 'TimeEvolutionOps_include.f90:2871', errst=errst)) return sc = coupl**2 * abs(overlap) call destroy(Phia) call destroy(Phib) end subroutine quantum_jump_mbslxy_tensorlist
- TimeEvolutionOps_f90.quantum_jump_mbslxy_tensorlistc()[source]¶
fortran-subroutine - March 2018 (dj) Calculate the unweighted probability for a quantum jump due to a many-body string Lindblad XY operator.
Arguments
- PsiTYPE(mpsc), inout
Calculate the probability for this wave-function.
- OperatorsTYPE(tensorlistc), inout
The operators for the simulations, containing the Lindblad operators.
- RsTYPE(MPORuleSet), in
The rule set for the evolution containing the setup for the many-body string Lindblad XY term.
- HparamsTYPE(HamiltonianParameters)(*), in
Contains the possibly space and time dependent coupling for the terms in the Lindblad master equation.
- xxINTEGER, in
The left-most site in the many-body string Lindblad term.
- rrINTEGER, in
Select the rule set of many-body string Lindblad term in the array of all many-body string Lindblad terms.
- scREAL, out
Unweighted probability.
Source Code
show / hide f90 codesubroutine quantum_jump_mbslxy_tensorlistc(Psi, Operators, Rs, Hparams, xx, & rr, sc, errst) type(mpsc), intent(inout) :: Psi type(tensorlistc), intent(inout) :: Operators type(MPORuleSet), intent(in) :: Rs type(HamiltonianParameters), pointer, intent(in) :: Hparams(:) integer, intent(in) :: xx, rr real(KIND=rKind), intent(out) :: sc integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping integer :: ii ! offset for MBSLXY term integer :: os ! Coupling of this MBS Lindblad operator real(KIND=rKind) :: coupl ! overlap between two states complex(KIND=rKind) :: overlap ! temporary tensor for contraction type(tensorc) :: Tmp ! Parts of the MPS type(mpsc) :: Phia, Phib !if(present(errst)) errst = 0 call copy(Phia, Psi, xx, xx + Rs%Mbslxy(rr)%n - 1, errst=errst) !if(prop_error('quantum_jump_mbslxy_tensorlistc : copy failed.', & ! 'TimeEvolutionOps_include.f90:2838', errst=errst)) return call copy(Phib, Psi, xx, xx + Rs%Mbslxy(rr)%n - 1, errst=errst) !if(prop_error('quantum_jump_mbslxy_tensorlistc : copy failed.', & ! 'TimeEvolutionOps_include.f90:2842', errst=errst)) return coupl = Rs%Mbslxy(rr)%w * get_coupl(Hparams, Rs%Mbslxy(rr)%h, xx) do ii = 1, Rs%Mbslxy(rr)%n call mcontr(Tmp, Phia%Aa(ii), Operators%Li(Rs%Mbslxy(rr)%o(ii)), & [2], [2], errst=errst) !if(prop_error('quantum_jump_mbslxy_tensorlistc : mcontr '//& ! 'failed.', 'TimeEvolutionOps_include.f90:2850', errst=errst)) return call destroy(Phia%Aa(ii)) call copy(Phia%Aa(ii), Tmp) call destroy(Tmp) end do os = Rs%Mbslxy(rr)%n do ii = 1, Rs%Mbslxy(rr)%n call mcontr(Tmp, Phib%Aa(ii), Operators%Li(Rs%Mbslxy(rr)%o(os + ii)), & [2], [2], errst=errst) !if(prop_error('quantum_jump_mbslxy_tensorlistc : mcontr '//& ! 'failed.', 'TimeEvolutionOps_include.f90:2862', errst=errst)) return call destroy(Phib%Aa(ii)) call copy(Phib%Aa(ii), Tmp) call destroy(Tmp) end do overlap = dot(Phib, Phia, errst=errst) !if(prop_error('quantum_jump_mbslxy_tensorlistc : dot '//& ! 'failed.', 'TimeEvolutionOps_include.f90:2871', errst=errst)) return sc = coupl**2 * abs(overlap) call destroy(Phia) call destroy(Phib) end subroutine quantum_jump_mbslxy_tensorlistc
- TimeEvolutionOps_f90.quantum_jump_mbslxy_qtensorlist()[source]¶
fortran-subroutine - March 2018 (dj) Calculate the unweighted probability for a quantum jump due to a many-body string Lindblad XY operator.
Arguments
- PsiTYPE(qmpsc), inout
Calculate the probability for this wave-function.
- OperatorsTYPE(qtensorlist), inout
The operators for the simulations, containing the Lindblad operators.
- RsTYPE(MPORuleSet), in
The rule set for the evolution containing the setup for the many-body string Lindblad XY term.
- HparamsTYPE(HamiltonianParameters)(*), in
Contains the possibly space and time dependent coupling for the terms in the Lindblad master equation.
- xxINTEGER, in
The left-most site in the many-body string Lindblad term.
- rrINTEGER, in
Select the rule set of many-body string Lindblad term in the array of all many-body string Lindblad terms.
- scREAL, out
Unweighted probability.
Source Code
show / hide f90 codesubroutine quantum_jump_mbslxy_qtensorlist(Psi, Operators, Rs, Hparams, xx, & rr, sc, errst) type(qmpsc), intent(inout) :: Psi type(qtensorlist), intent(inout) :: Operators type(MPORuleSet), intent(in) :: Rs type(HamiltonianParameters), pointer, intent(in) :: Hparams(:) integer, intent(in) :: xx, rr real(KIND=rKind), intent(out) :: sc integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping integer :: ii ! offset for MBSLXY term integer :: os ! Coupling of this MBS Lindblad operator real(KIND=rKind) :: coupl ! overlap between two states complex(KIND=rKind) :: overlap ! temporary tensor for contraction type(qtensorc) :: Tmp ! Parts of the MPS type(qmpsc) :: Phia, Phib !if(present(errst)) errst = 0 call copy(Phia, Psi, xx, xx + Rs%Mbslxy(rr)%n - 1, errst=errst) !if(prop_error('quantum_jump_mbslxy_qtensorlist : copy failed.', & ! 'TimeEvolutionOps_include.f90:2838', errst=errst)) return call copy(Phib, Psi, xx, xx + Rs%Mbslxy(rr)%n - 1, errst=errst) !if(prop_error('quantum_jump_mbslxy_qtensorlist : copy failed.', & ! 'TimeEvolutionOps_include.f90:2842', errst=errst)) return coupl = Rs%Mbslxy(rr)%w * get_coupl(Hparams, Rs%Mbslxy(rr)%h, xx) do ii = 1, Rs%Mbslxy(rr)%n call mcontr(Tmp, Phia%Aa(ii), Operators%Li(Rs%Mbslxy(rr)%o(ii)), & [2], [2], errst=errst) !if(prop_error('quantum_jump_mbslxy_qtensorlist : mcontr '//& ! 'failed.', 'TimeEvolutionOps_include.f90:2850', errst=errst)) return call destroy(Phia%Aa(ii)) call copy(Phia%Aa(ii), Tmp) call destroy(Tmp) end do os = Rs%Mbslxy(rr)%n do ii = 1, Rs%Mbslxy(rr)%n call mcontr(Tmp, Phib%Aa(ii), Operators%Li(Rs%Mbslxy(rr)%o(os + ii)), & [2], [2], errst=errst) !if(prop_error('quantum_jump_mbslxy_qtensorlist : mcontr '//& ! 'failed.', 'TimeEvolutionOps_include.f90:2862', errst=errst)) return call destroy(Phib%Aa(ii)) call copy(Phib%Aa(ii), Tmp) call destroy(Tmp) end do overlap = dot(Phib, Phia, errst=errst) !if(prop_error('quantum_jump_mbslxy_qtensorlist : dot '//& ! 'failed.', 'TimeEvolutionOps_include.f90:2871', errst=errst)) return sc = coupl**2 * abs(overlap) call destroy(Phia) call destroy(Phib) end subroutine quantum_jump_mbslxy_qtensorlist
- TimeEvolutionOps_f90.quantum_jump_mbslxy_qtensorclist()[source]¶
fortran-subroutine - March 2018 (dj) Calculate the unweighted probability for a quantum jump due to a many-body string Lindblad XY operator.
Arguments
- PsiTYPE(qmpsc), inout
Calculate the probability for this wave-function.
- OperatorsTYPE(qtensorclist), inout
The operators for the simulations, containing the Lindblad operators.
- RsTYPE(MPORuleSet), in
The rule set for the evolution containing the setup for the many-body string Lindblad XY term.
- HparamsTYPE(HamiltonianParameters)(*), in
Contains the possibly space and time dependent coupling for the terms in the Lindblad master equation.
- xxINTEGER, in
The left-most site in the many-body string Lindblad term.
- rrINTEGER, in
Select the rule set of many-body string Lindblad term in the array of all many-body string Lindblad terms.
- scREAL, out
Unweighted probability.
Source Code
show / hide f90 codesubroutine quantum_jump_mbslxy_qtensorclist(Psi, Operators, Rs, Hparams, xx, & rr, sc, errst) type(qmpsc), intent(inout) :: Psi type(qtensorclist), intent(inout) :: Operators type(MPORuleSet), intent(in) :: Rs type(HamiltonianParameters), pointer, intent(in) :: Hparams(:) integer, intent(in) :: xx, rr real(KIND=rKind), intent(out) :: sc integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping integer :: ii ! offset for MBSLXY term integer :: os ! Coupling of this MBS Lindblad operator real(KIND=rKind) :: coupl ! overlap between two states complex(KIND=rKind) :: overlap ! temporary tensor for contraction type(qtensorc) :: Tmp ! Parts of the MPS type(qmpsc) :: Phia, Phib !if(present(errst)) errst = 0 call copy(Phia, Psi, xx, xx + Rs%Mbslxy(rr)%n - 1, errst=errst) !if(prop_error('quantum_jump_mbslxy_qtensorclist : copy failed.', & ! 'TimeEvolutionOps_include.f90:2838', errst=errst)) return call copy(Phib, Psi, xx, xx + Rs%Mbslxy(rr)%n - 1, errst=errst) !if(prop_error('quantum_jump_mbslxy_qtensorclist : copy failed.', & ! 'TimeEvolutionOps_include.f90:2842', errst=errst)) return coupl = Rs%Mbslxy(rr)%w * get_coupl(Hparams, Rs%Mbslxy(rr)%h, xx) do ii = 1, Rs%Mbslxy(rr)%n call mcontr(Tmp, Phia%Aa(ii), Operators%Li(Rs%Mbslxy(rr)%o(ii)), & [2], [2], errst=errst) !if(prop_error('quantum_jump_mbslxy_qtensorclist : mcontr '//& ! 'failed.', 'TimeEvolutionOps_include.f90:2850', errst=errst)) return call destroy(Phia%Aa(ii)) call copy(Phia%Aa(ii), Tmp) call destroy(Tmp) end do os = Rs%Mbslxy(rr)%n do ii = 1, Rs%Mbslxy(rr)%n call mcontr(Tmp, Phib%Aa(ii), Operators%Li(Rs%Mbslxy(rr)%o(os + ii)), & [2], [2], errst=errst) !if(prop_error('quantum_jump_mbslxy_qtensorclist : mcontr '//& ! 'failed.', 'TimeEvolutionOps_include.f90:2862', errst=errst)) return call destroy(Phib%Aa(ii)) call copy(Phib%Aa(ii), Tmp) call destroy(Tmp) end do overlap = dot(Phib, Phia, errst=errst) !if(prop_error('quantum_jump_mbslxy_qtensorclist : dot '//& ! 'failed.', 'TimeEvolutionOps_include.f90:2871', errst=errst)) return sc = coupl**2 * abs(overlap) call destroy(Phia) call destroy(Phib) end subroutine quantum_jump_mbslxy_qtensorclist
- TimeEvolutionOps_f90.lptn_itimeevo_mpo()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in imaginary time according to a time evolution method of choice from TEBD2.
Arguments
- RhoTYPE(lptn), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(tensorlist), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine lptn_itimeevo_mpo(Rho, time, Ops, Rs, iop, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, Imapper, errst) use ioops, only : obsunit, quenchunit type(lptn), intent(inout) :: Rho real(KIND=rKind), intent(inout) :: time type(tensorlist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(obs_r), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete type(imap), intent(in) :: Imapper integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! time step scaled with the additional scalefactor (imaginary ! time does not need and eye) real(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(mpo) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian variance = 0.0_rKind converged = .true. init_energy = .true. ! MPS is evolved with Hamiltonian mpo_is_hermitian = .true. call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('lptn_itimeevo_mpo : check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:3051', errst=errst)) return ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method errst = raise_error('lptn_timeevo_mpo : no Krylov.', & 99, 'TimeEvolutionOps_include.f90:3084', errst=errst) return case(1) ! TEBD - 2nd order call tebd2(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .false., Cp, errst=errst) case(3) ! TDVP (always second order) errst = raise_error('lptn_timeevo_mpo : no TDVP.', & 99, 'TimeEvolutionOps_include.f90:3104', errst=errst) return case(4) ! LRK - 2nd order errst = raise_error('lptn_timeevo_mpo : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:3110', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('lptn_timeevo_mpo : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:3116', errst=errst) return case default errst = raise_error('mps_timeevo_mpo: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('lptn_timeevo_mpo : time step '//& ! 'failed.', 'TimeEvolutionOps_include.f90:3128', errst=errst)) return end do ! Increment the time time = time + deltat ! There is only one measurement at the end of the quench ! Each quench leads to one temperature. end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method errst = raise_error('lptn_timeevo_mpo : no Krylov.', & 99, 'TimeEvolutionOps_include.f90:3166', errst=errst) return case(1) ! TEBD - 2nd order call tebd2(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .false., Cp, errst=errst) case(3) ! TDVP (always second order) errst = raise_error('lptn_timeevo_mpo : no TDVP.', & 99, 'TimeEvolutionOps_include.f90:3185', errst=errst) return case(4) ! LRK - 2nd order errst = raise_error('lptn_timeevo_mpo : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:3191', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('lptn_timeevo_mpo : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:3197', errst=errst) return case default errst = raise_error('mps_timeevo_mpo: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('mps_timeevo_mpo : time step '//& ! '(2) failed.', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' end if ! hasextradt ! Measurement ! ----------- ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Rho%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Rho) call destroy(Ham) le = 0.0_rKind obsname2 = trim(obsname)//'.dat' Tobs%step_ii = '000000' call observe(Rho, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine lptn_itimeevo_mpo
- TimeEvolutionOps_f90.lptn_itimeevo_mpoc()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in imaginary time according to a time evolution method of choice from TEBD2.
Arguments
- RhoTYPE(lptnc), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(tensorlistc), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine lptn_itimeevo_mpoc(Rho, time, Ops, Rs, iop, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, Imapper, errst) use ioops, only : obsunit, quenchunit type(lptnc), intent(inout) :: Rho real(KIND=rKind), intent(inout) :: time type(tensorlistc), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(obsc), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete type(imap), intent(in) :: Imapper integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! time step scaled with the additional scalefactor (imaginary ! time does not need and eye) real(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(mpoc) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian variance = 0.0_rKind converged = .true. init_energy = .true. ! MPS is evolved with Hamiltonian mpo_is_hermitian = .true. call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('lptn_itimeevo_mpoc : check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:3051', errst=errst)) return ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method errst = raise_error('lptn_timeevo_mpoc : no Krylov.', & 99, 'TimeEvolutionOps_include.f90:3084', errst=errst) return case(1) ! TEBD - 2nd order call tebd2(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .false., Cp, errst=errst) case(3) ! TDVP (always second order) errst = raise_error('lptn_timeevo_mpoc : no TDVP.', & 99, 'TimeEvolutionOps_include.f90:3104', errst=errst) return case(4) ! LRK - 2nd order errst = raise_error('lptn_timeevo_mpoc : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:3110', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('lptn_timeevo_mpoc : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:3116', errst=errst) return case default errst = raise_error('mps_timeevo_mpoc: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('lptn_timeevo_mpoc : time step '//& ! 'failed.', 'TimeEvolutionOps_include.f90:3128', errst=errst)) return end do ! Increment the time time = time + deltat ! There is only one measurement at the end of the quench ! Each quench leads to one temperature. end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method errst = raise_error('lptn_timeevo_mpoc : no Krylov.', & 99, 'TimeEvolutionOps_include.f90:3166', errst=errst) return case(1) ! TEBD - 2nd order call tebd2(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .false., Cp, errst=errst) case(3) ! TDVP (always second order) errst = raise_error('lptn_timeevo_mpoc : no TDVP.', & 99, 'TimeEvolutionOps_include.f90:3185', errst=errst) return case(4) ! LRK - 2nd order errst = raise_error('lptn_timeevo_mpoc : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:3191', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('lptn_timeevo_mpoc : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:3197', errst=errst) return case default errst = raise_error('mps_timeevo_mpoc: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('mps_timeevo_mpoc : time step '//& ! '(2) failed.', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' end if ! hasextradt ! Measurement ! ----------- ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Rho%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Rho) call destroy(Ham) le = 0.0_rKind obsname2 = trim(obsname)//'.dat' Tobs%step_ii = '000000' call observe(Rho, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine lptn_itimeevo_mpoc
- TimeEvolutionOps_f90.lptn_itimeevo_qmpo()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in imaginary time according to a time evolution method of choice from TEBD2.
Arguments
- RhoTYPE(qlptn), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(qtensorlist), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine lptn_itimeevo_qmpo(Rho, time, Ops, Rs, iop, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, Imapper, errst) use ioops, only : obsunit, quenchunit type(qlptn), intent(inout) :: Rho real(KIND=rKind), intent(inout) :: time type(qtensorlist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(qobs_r), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete type(imap), intent(in) :: Imapper integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! time step scaled with the additional scalefactor (imaginary ! time does not need and eye) real(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(qmpo) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian variance = 0.0_rKind converged = .true. init_energy = .true. ! MPS is evolved with Hamiltonian mpo_is_hermitian = .true. call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('lptn_itimeevo_qmpo : check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:3051', errst=errst)) return ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method errst = raise_error('lptn_timeevo_qmpo : no Krylov.', & 99, 'TimeEvolutionOps_include.f90:3084', errst=errst) return case(1) ! TEBD - 2nd order call tebd2(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .false., Cp, errst=errst) case(3) ! TDVP (always second order) errst = raise_error('lptn_timeevo_qmpo : no TDVP.', & 99, 'TimeEvolutionOps_include.f90:3104', errst=errst) return case(4) ! LRK - 2nd order errst = raise_error('lptn_timeevo_qmpo : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:3110', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('lptn_timeevo_qmpo : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:3116', errst=errst) return case default errst = raise_error('mps_timeevo_qmpo: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('lptn_timeevo_qmpo : time step '//& ! 'failed.', 'TimeEvolutionOps_include.f90:3128', errst=errst)) return end do ! Increment the time time = time + deltat ! There is only one measurement at the end of the quench ! Each quench leads to one temperature. end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method errst = raise_error('lptn_timeevo_qmpo : no Krylov.', & 99, 'TimeEvolutionOps_include.f90:3166', errst=errst) return case(1) ! TEBD - 2nd order call tebd2(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .false., Cp, errst=errst) case(3) ! TDVP (always second order) errst = raise_error('lptn_timeevo_qmpo : no TDVP.', & 99, 'TimeEvolutionOps_include.f90:3185', errst=errst) return case(4) ! LRK - 2nd order errst = raise_error('lptn_timeevo_qmpo : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:3191', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('lptn_timeevo_qmpo : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:3197', errst=errst) return case default errst = raise_error('mps_timeevo_qmpo: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('mps_timeevo_qmpo : time step '//& ! '(2) failed.', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' end if ! hasextradt ! Measurement ! ----------- ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Rho%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Rho) call destroy(Ham) le = 0.0_rKind obsname2 = trim(obsname)//'.dat' Tobs%step_ii = '000000' call observe(Rho, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine lptn_itimeevo_qmpo
- TimeEvolutionOps_f90.lptn_itimeevo_qmpoc()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in imaginary time according to a time evolution method of choice from TEBD2.
Arguments
- RhoTYPE(qlptnc), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(qtensorclist), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine lptn_itimeevo_qmpoc(Rho, time, Ops, Rs, iop, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, Imapper, errst) use ioops, only : obsunit, quenchunit type(qlptnc), intent(inout) :: Rho real(KIND=rKind), intent(inout) :: time type(qtensorclist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(qobsc), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete type(imap), intent(in) :: Imapper integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! time step scaled with the additional scalefactor (imaginary ! time does not need and eye) real(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(qmpoc) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian variance = 0.0_rKind converged = .true. init_energy = .true. ! MPS is evolved with Hamiltonian mpo_is_hermitian = .true. call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('lptn_itimeevo_qmpoc : check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:3051', errst=errst)) return ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method errst = raise_error('lptn_timeevo_qmpoc : no Krylov.', & 99, 'TimeEvolutionOps_include.f90:3084', errst=errst) return case(1) ! TEBD - 2nd order call tebd2(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .false., Cp, errst=errst) case(3) ! TDVP (always second order) errst = raise_error('lptn_timeevo_qmpoc : no TDVP.', & 99, 'TimeEvolutionOps_include.f90:3104', errst=errst) return case(4) ! LRK - 2nd order errst = raise_error('lptn_timeevo_qmpoc : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:3110', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('lptn_timeevo_qmpoc : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:3116', errst=errst) return case default errst = raise_error('mps_timeevo_qmpoc: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('lptn_timeevo_qmpoc : time step '//& ! 'failed.', 'TimeEvolutionOps_include.f90:3128', errst=errst)) return end do ! Increment the time time = time + deltat ! There is only one measurement at the end of the quench ! Each quench leads to one temperature. end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method errst = raise_error('lptn_timeevo_qmpoc : no Krylov.', & 99, 'TimeEvolutionOps_include.f90:3166', errst=errst) return case(1) ! TEBD - 2nd order call tebd2(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .false., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Rho, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .false., Cp, errst=errst) case(3) ! TDVP (always second order) errst = raise_error('lptn_timeevo_qmpoc : no TDVP.', & 99, 'TimeEvolutionOps_include.f90:3185', errst=errst) return case(4) ! LRK - 2nd order errst = raise_error('lptn_timeevo_qmpoc : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:3191', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('lptn_timeevo_qmpoc : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:3197', errst=errst) return case default errst = raise_error('mps_timeevo_qmpoc: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('mps_timeevo_qmpoc : time step '//& ! '(2) failed.', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' end if ! hasextradt ! Measurement ! ----------- ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Rho%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Rho) call destroy(Ham) le = 0.0_rKind obsname2 = trim(obsname)//'.dat' Tobs%step_ii = '000000' call observe(Rho, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine lptn_itimeevo_qmpoc
- TimeEvolutionOps_f90.mpdo_itimeevo_mpo()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in imaginary time according to a time evolution method of choice from TEBD2.
Arguments
- RhoTYPE(mpdo), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(tensorlist), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine mpdo_itimeevo_mpo(Rho, time, Ops, Rs, iop, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, Imapper, errst) use ioops, only : obsunit, quenchunit type(mpdo), intent(inout) :: Rho real(KIND=rKind), intent(inout) :: time type(tensorlist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(obs_r), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete type(imap), intent(in) :: Imapper integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! flag if MPO is allocated logical :: mpo_alloc ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! time step scaled with the additional scalefactor (imaginary ! time does not need and eye) real(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(mpo) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian variance = 0.0_rKind converged = .true. init_energy = .true. ! MPS is evolved with Hamiltonian mpo_is_hermitian = .true. call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! We can build MPO right now, parameters are not allowed to change ! during imaginary time evolution mpo_alloc = any(([0, 3, 4, 5] - evomethod) == 0) if(mpo_alloc) then call ruleset_to_clliou_mpo(Ham, Rs, Rho%Superket%ll, Ops, & Hparams, iop) end if ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('mpdo_itimeevo_mpo: check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:3436', errst=errst)) return ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call krylov_method(Rho%Superket, mydeltat, Ham, converged, & variance, Cp, 'N', 'M', Rs%pbc, & errst=errst) case(1) ! TEBD - 2nd order call tebd2(Rho%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .true., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Rho%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .true., Cp, errst=errst) case(3) ! TDVP (always second order) call tdvp2_symm(Rho%Superket, mydeltat, Ham, converged, & variance, Cp, 'M', Rs%pbc, errst=errst) case(4) ! LRK - 2nd order errst = raise_error('mpdo_timeevo_mpo : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:3496', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('mpdo_timeevo_mpo : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:3502', errst=errst) return case default errst = raise_error('mps_timeevo_mpo: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('mpdo_timeevo_mpo : time step '//& ! 'failed.', 'TimeEvolutionOps_include.f90:3514', errst=errst)) return end do ! Increment the time time = time + deltat ! There is only one measurement at the end of the quench ! Each quench leads to one temperature. end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call krylov_method(Rho%Superket, mydeltat, Ham, converged, & variance, Cp, 'N', 'M', & Rs%pbc, errst=errst) case(1) ! TEBD - 2nd order call tebd2(Rho%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .true., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Rho%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .true., Cp, errst=errst) case(3) ! TDVP (always second order) call tdvp2_symm(Rho%Superket, mydeltat, Ham, converged, & variance, Cp, 'M', Rs%pbc, errst=errst) case(4) ! LRK - 2nd order errst = raise_error('mpdo_timeevo_mpo : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:3578', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('mpdo_timeevo_mpo : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:3584', errst=errst) return case default errst = raise_error('mps_timeevo_mpo: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('mps_timeevo_mpo : time step '//& ! '(2) failed.', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' end if ! hasextradt if(mpo_alloc) call destroy(Ham) ! Measurement ! ----------- ! Renormalize call scale(1.0_rKind / norm(Rho), Rho%Superket%AA(Rho%Superket%oc)) ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Rho%Superket%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Rho) call destroy(Ham) le = 0.0_rKind obsname2 = trim(obsname)//'.dat' Tobs%step_ii = '000000' call observe(Rho, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine mpdo_itimeevo_mpo
- TimeEvolutionOps_f90.mpdo_itimeevo_mpoc()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in imaginary time according to a time evolution method of choice from TEBD2.
Arguments
- RhoTYPE(mpdoc), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(tensorlistc), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine mpdo_itimeevo_mpoc(Rho, time, Ops, Rs, iop, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, Imapper, errst) use ioops, only : obsunit, quenchunit type(mpdoc), intent(inout) :: Rho real(KIND=rKind), intent(inout) :: time type(tensorlistc), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(obsc), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete type(imap), intent(in) :: Imapper integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! flag if MPO is allocated logical :: mpo_alloc ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! time step scaled with the additional scalefactor (imaginary ! time does not need and eye) real(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(mpoc) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian variance = 0.0_rKind converged = .true. init_energy = .true. ! MPS is evolved with Hamiltonian mpo_is_hermitian = .true. call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! We can build MPO right now, parameters are not allowed to change ! during imaginary time evolution mpo_alloc = any(([0, 3, 4, 5] - evomethod) == 0) if(mpo_alloc) then call ruleset_to_clliou_mpo(Ham, Rs, Rho%Superket%ll, Ops, & Hparams, iop) end if ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('mpdo_itimeevo_mpoc: check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:3436', errst=errst)) return ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call krylov_method(Rho%Superket, mydeltat, Ham, converged, & variance, Cp, 'N', 'M', Rs%pbc, & errst=errst) case(1) ! TEBD - 2nd order call tebd2(Rho%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .true., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Rho%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .true., Cp, errst=errst) case(3) ! TDVP (always second order) call tdvp2_symm(Rho%Superket, mydeltat, Ham, converged, & variance, Cp, 'M', Rs%pbc, errst=errst) case(4) ! LRK - 2nd order errst = raise_error('mpdo_timeevo_mpoc : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:3496', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('mpdo_timeevo_mpoc : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:3502', errst=errst) return case default errst = raise_error('mps_timeevo_mpoc: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('mpdo_timeevo_mpoc : time step '//& ! 'failed.', 'TimeEvolutionOps_include.f90:3514', errst=errst)) return end do ! Increment the time time = time + deltat ! There is only one measurement at the end of the quench ! Each quench leads to one temperature. end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call krylov_method(Rho%Superket, mydeltat, Ham, converged, & variance, Cp, 'N', 'M', & Rs%pbc, errst=errst) case(1) ! TEBD - 2nd order call tebd2(Rho%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .true., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Rho%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .true., Cp, errst=errst) case(3) ! TDVP (always second order) call tdvp2_symm(Rho%Superket, mydeltat, Ham, converged, & variance, Cp, 'M', Rs%pbc, errst=errst) case(4) ! LRK - 2nd order errst = raise_error('mpdo_timeevo_mpoc : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:3578', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('mpdo_timeevo_mpoc : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:3584', errst=errst) return case default errst = raise_error('mps_timeevo_mpoc: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('mps_timeevo_mpoc : time step '//& ! '(2) failed.', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' end if ! hasextradt if(mpo_alloc) call destroy(Ham) ! Measurement ! ----------- ! Renormalize call scale(1.0_rKind / norm(Rho), Rho%Superket%AA(Rho%Superket%oc)) ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Rho%Superket%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Rho) call destroy(Ham) le = 0.0_rKind obsname2 = trim(obsname)//'.dat' Tobs%step_ii = '000000' call observe(Rho, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine mpdo_itimeevo_mpoc
- TimeEvolutionOps_f90.mpdo_itimeevo_qmpo()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in imaginary time according to a time evolution method of choice from TEBD2.
Arguments
- RhoTYPE(qmpdo), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(qtensorlist), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine mpdo_itimeevo_qmpo(Rho, time, Ops, Rs, iop, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, Imapper, errst) use ioops, only : obsunit, quenchunit type(qmpdo), intent(inout) :: Rho real(KIND=rKind), intent(inout) :: time type(qtensorlist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(qobs_r), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete type(imap), intent(in) :: Imapper integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! flag if MPO is allocated logical :: mpo_alloc ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! time step scaled with the additional scalefactor (imaginary ! time does not need and eye) real(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(qmpo) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian variance = 0.0_rKind converged = .true. init_energy = .true. ! MPS is evolved with Hamiltonian mpo_is_hermitian = .true. call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! We can build MPO right now, parameters are not allowed to change ! during imaginary time evolution mpo_alloc = any(([0, 3, 4, 5] - evomethod) == 0) if(mpo_alloc) then call ruleset_to_clliou_mpo(Ham, Rs, Rho%Superket%ll, Ops, & Hparams, iop) end if ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('mpdo_itimeevo_qmpo: check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:3436', errst=errst)) return ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call krylov_method(Rho%Superket, mydeltat, Ham, converged, & variance, Cp, 'N', 'M', Rs%pbc, & errst=errst) case(1) ! TEBD - 2nd order call tebd2(Rho%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .true., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Rho%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .true., Cp, errst=errst) case(3) ! TDVP (always second order) call tdvp2_symm(Rho%Superket, mydeltat, Ham, converged, & variance, Cp, 'M', Rs%pbc, errst=errst) case(4) ! LRK - 2nd order errst = raise_error('mpdo_timeevo_qmpo : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:3496', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('mpdo_timeevo_qmpo : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:3502', errst=errst) return case default errst = raise_error('mps_timeevo_qmpo: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('mpdo_timeevo_qmpo : time step '//& ! 'failed.', 'TimeEvolutionOps_include.f90:3514', errst=errst)) return end do ! Increment the time time = time + deltat ! There is only one measurement at the end of the quench ! Each quench leads to one temperature. end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call krylov_method(Rho%Superket, mydeltat, Ham, converged, & variance, Cp, 'N', 'M', & Rs%pbc, errst=errst) case(1) ! TEBD - 2nd order call tebd2(Rho%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .true., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Rho%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .true., Cp, errst=errst) case(3) ! TDVP (always second order) call tdvp2_symm(Rho%Superket, mydeltat, Ham, converged, & variance, Cp, 'M', Rs%pbc, errst=errst) case(4) ! LRK - 2nd order errst = raise_error('mpdo_timeevo_qmpo : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:3578', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('mpdo_timeevo_qmpo : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:3584', errst=errst) return case default errst = raise_error('mps_timeevo_qmpo: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('mps_timeevo_qmpo : time step '//& ! '(2) failed.', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' end if ! hasextradt if(mpo_alloc) call destroy(Ham) ! Measurement ! ----------- ! Renormalize call scale(1.0_rKind / norm(Rho), Rho%Superket%AA(Rho%Superket%oc)) ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Rho%Superket%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Rho) call destroy(Ham) le = 0.0_rKind obsname2 = trim(obsname)//'.dat' Tobs%step_ii = '000000' call observe(Rho, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine mpdo_itimeevo_qmpo
- TimeEvolutionOps_f90.mpdo_itimeevo_qmpoc()[source]¶
fortran-subroutine - April 2016 (updated, dj) Evolve the quantum state in imaginary time according to a time evolution method of choice from TEBD2.
Arguments
- RhoTYPE(qmpdoc), inout
Evolve the wave function in real time.
- timeREAL, inout
The time of the evolution; due to multiple quenches, the starting point can differ from 0.
- OpsTYPE(qtensorclist), in
Contains the operators necessary to build the Hamiltonian.
- RsTYPE(MPORuleSet), in
Defines the rules how to define the Hamiltonian.
- iopINTEGER, in
Position of the identity matrix.
- CpTYPE(ConvParam), in
Contains the convergence parameters of the algorithms.
- quenchnameCHARACTER(*), in
Filename defining the quench.
- obsnameCHARACTER(*), in
Target file where to store the observables.
- ImapperTYPE(imap), in
Mapping for the symmetric subspaces of a local Hilbert space to the complete local Hilbert space.
Details
(defined in TimeEvolutionOps_include.f90)
Source Code
show / hide f90 codesubroutine mpdo_itimeevo_qmpoc(Rho, time, Ops, Rs, iop, & Cp, quenchname, obsname, baseout, RecentHparams, Tobs, evomethod, & start_time, timeevo_state_delete, Imapper, errst) use ioops, only : obsunit, quenchunit type(qmpdoc), intent(inout) :: Rho real(KIND=rKind), intent(inout) :: time type(qtensorclist), intent(inout) :: Ops type(MPORuleSet), intent(in) :: Rs integer, intent(in) :: iop type(ConvParam), intent(in) :: Cp character(len=*), intent(in) :: quenchname, obsname, baseout type(HamiltonianParameters), pointer, intent(inout) :: RecentHparams(:) type(qobsc), intent(inout) :: Tobs integer, intent(in) :: evomethod real(KIND=rKind), intent(in) :: start_time character(len=*), intent(inout) :: timeevo_state_delete type(imap), intent(in) :: Imapper integer, intent(out), optional :: errst ! Local variables ! --------------- ! for looping / reading integer :: ii ! for looping integer :: jj ! flag if time evolution has to be done logical :: skip ! flag if energy measurement available (only referenced for Krylov) logical :: init_energy ! flag if states for fitting should be randomized because | psi > orthogonal ! to H | psi > character :: init_random ! Extending the basis filename with the time step character(len=200) :: obsname2 ! Flag if there is an additional smaller time step logical :: hasextradt ! flag if MPO is allocated logical :: mpo_alloc ! value of time step and extra time step real(KIND=rKind) :: deltat, exdt ! Flag if algorithms have converged logical :: converged ! time step scaled with the additional scalefactor (imaginary ! time does not need and eye) real(KIND=rKind) :: mydeltat ! Scalar weight for the Magnus expansion real(KIND=rKind), dimension(:), allocatable :: scalefactors ! Representing the Hamiltonian as MPO type(qmpoc) :: Ham ! Couplings for the parameters in the Hamiltonian type(HamiltonianParameters), pointer :: Hparams(:) ! Indices of parameters in the Hamiltonian changing integer, dimension(:), allocatable :: whichhpchanged ! Loschmidt echo complex(KIND=rKind) :: le integer :: nexp, nsteps, stepsforoutput real(KIND=rKind) :: energy, variance ! Flag if operator is hermitian logical :: mpo_is_hermitian variance = 0.0_rKind converged = .true. init_energy = .true. ! MPS is evolved with Hamiltonian mpo_is_hermitian = .true. call prepare_steps(quenchname, nsteps, stepsforoutput, nexp, & deltat, exdt, hasextradt, scalefactors, whichhpchanged) call copy(Hparams, RecentHparams) ! We can build MPO right now, parameters are not allowed to change ! during imaginary time evolution mpo_alloc = any(([0, 3, 4, 5] - evomethod) == 0) if(mpo_alloc) then call ruleset_to_clliou_mpo(Ham, Rs, Rho%Superket%ll, Ops, & Hparams, iop) end if ! Check restrictions PBC (this is outside of time step loop) call check_pbc_evomethod(Rs%pbc, evomethod, Cp%ktebd, errst=errst) !if(prop_error('mpdo_itimeevo_qmpoc: check_pbc_evomethod '//& ! 'failed.', 'TimeEvolutionOps_include.f90:3436', errst=errst)) return ! Loop over the time-steps ! ======================== do ii = 1, nsteps ! Check for restoring time evolution (deltat * 1e-10 to prevent ! numerical errors) skip = (time - start_time + deltat * 1e-10 < 0) ! Loop over the Commutator Free Magnus Expansion (CFME) ! ----------------------------------------------------- ! ! Looping over the CFME is one time-step dt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle ! Mapping in python is .. ! methodsmap = {'krylov' : 0 , 'TEBD_2' : 1, 'TEBD_4' : 2, ! 'TDVP_2' : 3, 'LRK_2' : 4, 'LRK_4' : 5} mydeltat = - scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call krylov_method(Rho%Superket, mydeltat, Ham, converged, & variance, Cp, 'N', 'M', Rs%pbc, & errst=errst) case(1) ! TEBD - 2nd order call tebd2(Rho%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .true., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Rho%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .true., Cp, errst=errst) case(3) ! TDVP (always second order) call tdvp2_symm(Rho%Superket, mydeltat, Ham, converged, & variance, Cp, 'M', Rs%pbc, errst=errst) case(4) ! LRK - 2nd order errst = raise_error('mpdo_timeevo_qmpoc : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:3496', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('mpdo_timeevo_qmpoc : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:3502', errst=errst) return case default errst = raise_error('mps_timeevo_qmpoc: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('mpdo_timeevo_qmpoc : time step '//& ! 'failed.', 'TimeEvolutionOps_include.f90:3514', errst=errst)) return end do ! Increment the time time = time + deltat ! There is only one measurement at the end of the quench ! Each quench leads to one temperature. end do ! Carry out an extra time step including a measurement ! ==================================================== if(hasextradt) then ! Check for restoring time evolution skip = time - start_time + exdt * 1e-10 < 0 ! Time step ! --------- write(slog, *) 'has extra dt' deltat = exdt do jj = 1, nexp ! Read in changed parameters call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) ! Can only skip after updating hparam - have to read them if(skip) cycle mydeltat = - scalefactors(jj) * deltat select case(evomethod) case(0) ! Krylov method call krylov_method(Rho%Superket, mydeltat, Ham, converged, & variance, Cp, 'N', 'M', & Rs%pbc, errst=errst) case(1) ! TEBD - 2nd order call tebd2(Rho%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .true., Cp, errst=errst) case(2) ! TEBD - 4th order call tebd4(Rho%Superket, mydeltat, Rs, Ops, Hparams, iop, & converged, variance, 'M', .true., .false., & .true., Cp, errst=errst) case(3) ! TDVP (always second order) call tdvp2_symm(Rho%Superket, mydeltat, Ham, converged, & variance, Cp, 'M', Rs%pbc, errst=errst) case(4) ! LRK - 2nd order errst = raise_error('mpdo_timeevo_qmpoc : no LRK2.', & 99, 'TimeEvolutionOps_include.f90:3578', errst=errst) return case(5) ! LRK - 4th order errst = raise_error('mpdo_timeevo_qmpoc : no LRK4.', & 99, 'TimeEvolutionOps_include.f90:3584', errst=errst) return case default errst = raise_error('mps_timeevo_qmpoc: '//& 'selector for time evo not '//& 'valid.', 99, errst=errst) return end select !if(prop_error('mps_timeevo_qmpoc : time step '//& ! '(2) failed.', errst=errst)) return end do ! Increment the time time = time + deltat write(slog, *) 'before final' end if ! hasextradt if(mpo_alloc) call destroy(Ham) ! Measurement ! ----------- ! Renormalize call scale(1.0_rKind / norm(Rho), Rho%Superket%AA(Rho%Superket%oc)) ! Get Hamiltonian parameters at actual time call update_hamiltonianparameter(Hparams, quenchunit, & whichhpchanged) if(.not. skip) then call ruleset_to_ham_mpo(Ham, Rs, Rho%Superket%ll, Ops, Hparams, iop) ! calculate energy call meas_mpo(energy, Ham, Rho) call destroy(Ham) le = 0.0_rKind obsname2 = trim(obsname)//'.dat' Tobs%step_ii = '000000' call observe(Rho, Ops, Tobs, trim(obsname2), baseout, & timeevo_state_delete, obsunit, energy, & variance, converged, Imapper, Cp, time=time, & le=le, errst=errst) variance = 0.0_rKind end if call destroy(RecentHparams, '', 1, clearfile=.false.) call copy(RecentHparams, Hparams) call destroy(Hparams, '', 1, clearfile=.false.) deallocate(scalefactors, whichhpchanged) close(quenchunit) end subroutine mpdo_itimeevo_qmpoc