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MCTDH-X
v2.22
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MCTDH-X
v2.22
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Public Member Functions | |
| subroutine | get_nos (PSI, NOs, Natvec, reverse) |
| Get the Natural Orbitals from a set of working orbitals, or. More... | |
| subroutine | apply_spin (Psi_spin, Psi_in, direction) |
| According to the number of components, this routine applies spin matrices to the input spinor orbital Psi_in. The output is Psi_spin and direction is an integer to select the spin matrix, 1->x;2->y;3->z. More... | |
| subroutine | get_ijk_from_m (m, gdimx, gdimy, i, j, k) |
| The routine returns the indexes i,j,k for a 3D array given m, the index of a 1D array of a vector that stores the ijk-th element in the position m=i+gdimx(j-1)+gdimy*gdimx*(k-1) [(ijk) start with (111)]. More... | |
| subroutine | get_fftmom (xi, xf, gdim, mom) |
| returns momentum grid in fft order xi - left border of box xf - right border of box ( =last grid point + dx) gdim - number of grid points mom - array of momentum space grid points in FFT order More... | |
| subroutine | get_mom (xl, xu, gdim, mom, dilation) |
| returns momentum grid in ascending order More... | |
| subroutine | getdoubleasstring (x, doubleString) |
| Writes a real number in ten digit format to a character for naming files. More... | |
| complex *16 function, dimension(:), pointer | getarray (array, shape_) |
| complex *16 function, dimension(:,:,:), pointer | get3dfrom1darray (array, shape_) |
| character(len=20) function | inttostr (k) |
| subroutine auxiliary_routines::apply_spin | ( | complex*16, dimension(ndvr_x*ndvr_y*ndvr_z,nlevel) | Psi_spin, |
| complex*16, dimension(ndvr_x*ndvr_y*ndvr_z,nlevel) | Psi_in, | ||
| integer | direction | ||
| ) |
According to the number of components, this routine applies spin matrices to the input spinor orbital Psi_in. The output is Psi_spin and direction is an integer to select the spin matrix, 1->x;2->y;3->z.
Referenced by kineticenergyaction::apply_soc(), and localinteractionpotential::get_multilevelinteractionoperatoraction().
| complex*16 function, dimension(:,:,:), pointer auxiliary_routines::get3dfrom1darray | ( | complex*16, dimension(1), target | array, |
| integer, dimension(:) | shape_ | ||
| ) |
| subroutine auxiliary_routines::get_fftmom | ( | real*8 | xi, |
| real*8 | xf, | ||
| integer, intent(in) | gdim, | ||
| double precision, dimension(gdim), intent(out) | mom | ||
| ) |
returns momentum grid in fft order xi - left border of box xf - right border of box ( =last grid point + dx) gdim - number of grid points mom - array of momentum space grid points in FFT order
| subroutine auxiliary_routines::get_ijk_from_m | ( | integer, intent(in) | m, |
| integer, intent(in) | gdimx, | ||
| integer, intent(in) | gdimy, | ||
| integer, intent(out) | i, | ||
| integer, intent(out) | j, | ||
| integer, intent(out) | k | ||
| ) |
The routine returns the indexes i,j,k for a 3D array given m, the index of a 1D array of a vector that stores the ijk-th element in the position m=i+gdimx(j-1)+gdimy*gdimx*(k-1) [(ijk) start with (111)].
Referenced by localinteractionpotential::apply_interactionoperator(), localinteractionpotential::compute_interactionelements(), localinteractionpotential::compute_localinteraction_fft(), auxiliary_analysis_routines::convolute_singleshot(), analysis_routines_onebody::density_nonescape(), auxiliary_analysis_routines::drawfromdensity(), analysis_routines_onebody::get_1bodydiag(), analysis_routines_onebody::get_1bodydiag_nlevel(), analysis_routines_twobody::get_2bentropy(), analysis_routines_onebody::get_2d_1bodydiag_dilated(), analysis_routines_onebody::get_2d_1bodydiag_dilated_nlevel(), analysis_routines_manybody::get_anyordercorrelations(), cavitybec::get_atom_pump_cavityexpectations(), orbital_equationofmotion::get_bh_integrals(), cavitybec::get_cavityaction(), analysis_routines_onebody::get_cavityorderparameter(), analysis_routines_manybody::get_corr_loc_frag(), analysis_routines_twobody::get_corr_one_restricted(), analysis_routines_2d::get_corr_slice(), analysis_routines_twobody::get_corr_two_restricted(), analysis_routines_twobody::get_correlations(), analysis_routines_twobody::get_correlations_nlevel(), analysis_routines_twobody::get_correlationsskewdiagonal1d(), analysis_routines_2d::get_correlationsskewdiagonal2d(), auxiliary_fftroutines::get_derivative_2d(), get_interparticle_potential(), auxiliary_analysis_routines::get_m_0_from_xyz(), analysis_routines_onebody::get_phase(), analysis_routines_manybody::get_singleshot(), analysis_routines_twobody::get_structurefactor(), analysis_routines_twobody::lossops_two_bosons(), anyons::step_anyons_tdmc(), input_output::write_anyons(), and input_output::write_bh().
| subroutine auxiliary_routines::get_mom | ( | double precision, intent(in) | xl, |
| double precision, intent(in) | xu, | ||
| integer, intent(in) | gdim, | ||
| double precision, dimension(gdim), intent(out) | mom, | ||
| integer, optional | dilation | ||
| ) |
returns momentum grid in ascending order
Referenced by analysis_routines_twobody::get_corr_one_restricted(), analysis_routines_2d::get_corr_slice(), analysis_routines_twobody::get_corr_two_restricted(), analysis_routines_2d::get_correlationsskewdiagonal2d(), auxiliary_fftroutines::get_derivative_2d(), auxiliary_analysis_routines::get_weightormomentumgrid(), input_output::write_nlevelorbitals(), and input_output::write_orbitals().
| subroutine auxiliary_routines::get_nos | ( | complex*16, dimension(ndvr_x*ndvr_y*ndvr_z,morb), intent(in) | PSI, |
| complex*16, dimension(ndvr_x*ndvr_y*ndvr_z,morb), intent(out) | NOs, | ||
| complex*16, dimension(morb,morb), intent(in) | Natvec, | ||
| logical, optional | reverse | ||
| ) |
Get the Natural Orbitals from a set of working orbitals, or.
Referenced by optimalcontrol::get_infidelities(), analysis_routines_2d::get_lz(), and analysis_routines_onebody::get_phase().
| complex*16 function, dimension(:), pointer auxiliary_routines::getarray | ( | complex*16, dimension(1), target | array, |
| integer, dimension(:) | shape_ | ||
| ) |
| subroutine auxiliary_routines::getdoubleasstring | ( | real(kind=dbl) | x, |
| character(len=10) | doubleString | ||
| ) |
Writes a real number in ten digit format to a character for naming files.
Referenced by auxiliary_analysis_routines::assemble_outputfilename(), analysis_routines_manybody::get_corr_loc_frag(), analysis_routines_2d::get_corr_slice(), analysis_routines_twobody::get_correlationsskewdiagonal1d(), analysis_routines_2d::get_correlationsskewdiagonal2d(), analysis_routines_onebody::get_phase(), analysis_routines_2d::get_vtrapprojection(), analysis_routines_twobody::lossops_two_bosons(), master_slave_parallelization::master_fci(), input_output::write_bh(), analysis_routines_manybody::write_hamiltonianelementsanalysis(), and analysis_routines_manybody::write_matrixelements().
| character(len=20) function auxiliary_routines::inttostr | ( | integer, intent(in) | k | ) |
Referenced by master_slave_parallelization::master_mctdhbf(), input_output::write_coefficients_bdav(), and input_output::write_oct_parameters().
1.8.6 
