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| subroutine, public | target_oct_m::target_init_propagation (tg) |
| | This routine performs all the things that must be initialized prior to a forward evolution, regarding the target. Right now some of those initializations are not done here, and should be moved. More...
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| subroutine, public | target_oct_m::target_get_state (tg, st) |
| | This just copies the states_elec_t variable present in target, into st. More...
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| |
| subroutine, public | target_oct_m::target_init (gr, kpoints, namespace, space, ions, qcs, td, w0, tg, oct, ep, mc) |
| | The target is initialized, mainly by reading from the inp file. More...
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| subroutine, public | target_oct_m::target_end (tg, oct) |
| |
| subroutine, public | target_oct_m::target_output (tg, namespace, space, gr, dir, ions, hm, outp) |
| |
| subroutine, public | target_oct_m::target_tdcalc (tg, namespace, space, hm, gr, ions, ext_partners, psi, time, max_time) |
| | Calculates, at a given point in time marked by the integer index, the integrand of the target functional: \( <Psi(t)|\hat{O}(t)|Psi(t)> \). More...
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| subroutine, public | target_oct_m::target_inh (psi, gr, kpoints, tg, time, inh, iter) |
| | Calculates the inhomogeneous term that appears in the equation for chi, and places it into inh. More...
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| real(real64) function, public | target_oct_m::target_j1 (tg, namespace, gr, kpoints, qcpsi, ions) |
| | Calculates the J1 functional, i.e.: \( <Psi(T)|\hat{O}|Psi(T)> \) in the time-independent case, or else \( \int_0^T dt <Psi(t)|\hat{O}(t)|Psi(t)> \) in the time-dependent case. More...
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| subroutine, public | target_oct_m::target_chi (tg, namespace, gr, kpoints, qcpsi_in, qcchi_out, ions) |
| | Calculate \( |chi(T)> = \hat{O}(T) |psi(T)> \). More...
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| integer pure function, public | target_oct_m::target_mode (tg) |
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| integer pure function, public | target_oct_m::target_type (tg) |
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| integer pure function, public | target_oct_m::target_curr_functional (tg) |
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| logical pure function, public | target_oct_m::target_move_ions (tg) |
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| logical pure function | target_oct_m::is_spatial_curr_wgt (tg) |
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| subroutine | target_oct_m::target_init_density (gr, kpoints, namespace, space, tg, stin, td, restart) |
| |
| subroutine | target_oct_m::target_end_density (tg) |
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| subroutine | target_oct_m::target_output_density (tg, namespace, space, mesh, dir, ions, outp) |
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| real(real64) function | target_oct_m::target_j1_density (gr, kpoints, tg, psi) |
| |
| subroutine | target_oct_m::target_chi_density (tg, gr, kpoints, psi_in, chi_out) |
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| subroutine | target_oct_m::target_tdcalc_density (tg, gr, kpoints, psi, time) |
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| real(real64) function | target_oct_m::jcurr_functional (tg, gr, kpoints, psi) |
| | Calculates a current functional that may be combined with other functionals found in function target_j1. More...
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| subroutine | target_oct_m::chi_current (tg, gr, kpoints, factor, psi_in, chi) |
| |
| subroutine | target_oct_m::target_init_velocity (gr, namespace, ions, tg, oct, td, ep) |
| |
| subroutine | target_oct_m::target_end_velocity (tg, oct) |
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| subroutine | target_oct_m::target_output_velocity (tg, namespace, space, gr, dir, ions, hm, outp) |
| |
| real(real64) function | target_oct_m::target_j1_velocity (tg, ions) |
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| subroutine | target_oct_m::target_chi_velocity (gr, tg, chi_out, ions) |
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| subroutine | target_oct_m::target_tdcalc_velocity (tg, hm, gr, ions, psi, time, max_time) |
| |
| subroutine | target_oct_m::target_init_hhg (tg, namespace, td, w0) |
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| subroutine | target_oct_m::target_init_hhgnew (gr, namespace, tg, td, ions, ep) |
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| subroutine | target_oct_m::target_end_hhg (tg) |
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| subroutine | target_oct_m::target_output_hhg (tg, namespace, space, gr, dir, ions, hm, outp) |
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| subroutine | target_oct_m::target_end_hhgnew (tg, oct) |
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| real(real64) function | target_oct_m::target_j1_hhg (tg, namespace) |
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| real(real64) function | target_oct_m::target_j1_hhgnew (gr, tg) |
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| subroutine | target_oct_m::target_chi_hhg (chi_out) |
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| subroutine | target_oct_m::target_tdcalc_hhgnew (tg, gr, psi, time, max_time) |
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| subroutine | target_oct_m::target_tdcalc_hhg (tg, namespace, space, hm, gr, ions, ext_partners, psi, time) |
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| subroutine | target_oct_m::target_init_groundstate (mesh, namespace, space, tg, td, restart, kpoints) |
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| subroutine | target_oct_m::target_end_groundstate () |
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| subroutine | target_oct_m::target_output_groundstate (tg, namespace, space, gr, dir, ions, hm, outp) |
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| real(real64) function | target_oct_m::target_j1_groundstate (tg, gr, psi) |
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| subroutine | target_oct_m::target_chi_groundstate (tg, gr, psi_in, chi_out) |
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| subroutine | target_oct_m::target_init_excited (mesh, namespace, space, tg, td, restart, kpoints) |
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| subroutine | target_oct_m::target_end_excited () |
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| subroutine | target_oct_m::target_output_excited (tg, namespace, space, gr, dir, ions, hm, outp) |
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| real(real64) function | target_oct_m::target_j1_excited (tg, namespace, gr, psi) |
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| subroutine | target_oct_m::target_chi_excited (tg, namespace, gr, psi_in, chi_out) |
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| subroutine | target_oct_m::target_init_gstransformation (gr, namespace, space, tg, td, restart, kpoints) |
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| subroutine | target_oct_m::target_end_gstransformation () |
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| subroutine | target_oct_m::target_output_gstransformation (tg, namespace, space, gr, dir, ions, hm, outp) |
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| real(real64) function | target_oct_m::target_j1_gstransformation (tg, gr, psi) |
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| subroutine | target_oct_m::target_chi_gstransformation (tg, gr, psi_in, chi_out) |
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| subroutine | target_oct_m::target_init_exclude (mesh, namespace, space, tg, td, restart, kpoints) |
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| subroutine | target_oct_m::target_end_exclude () |
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| subroutine | target_oct_m::target_output_exclude (tg, namespace, space, gr, dir, ions, hm, outp) |
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| real(real64) function | target_oct_m::target_j1_exclude (gr, tg, psi) |
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| subroutine | target_oct_m::target_chi_exclude (tg, gr, psi_in, chi_out) |
| |
| subroutine | target_oct_m::target_init_userdefined (gr, namespace, tg, td) |
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| subroutine | target_oct_m::target_end_userdefined () |
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| subroutine | target_oct_m::target_output_userdefined (tg, namespace, space, gr, dir, ions, hm, outp) |
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| real(real64) function | target_oct_m::target_j1_userdefined (tg, gr, psi) |
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| subroutine | target_oct_m::target_chi_userdefined (tg, gr, psi_in, chi_out) |
| |
| subroutine | target_oct_m::target_init_local (gr, namespace, tg, td) |
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| subroutine | target_oct_m::target_end_local (tg) |
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| subroutine | target_oct_m::target_output_local (tg, namespace, space, mesh, dir, ions, outp) |
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| real(real64) function | target_oct_m::target_j1_local (mesh, tg, psi) |
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| subroutine | target_oct_m::target_chi_local (tg, mesh, psi_in, chi_out) |
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| subroutine | target_oct_m::target_init_tdlocal (gr, namespace, tg, td) |
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| subroutine | target_oct_m::target_end_tdlocal (tg) |
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| subroutine | target_oct_m::target_output_tdlocal (tg, namespace, space, gr, dir, ions, outp) |
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| real(real64) function | target_oct_m::target_j1_tdlocal (tg) |
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| subroutine | target_oct_m::target_chi_tdlocal (chi_out) |
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| subroutine | target_oct_m::target_tdcalc_tdlocal (tg, gr, psi, time) |
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| subroutine | target_oct_m::target_build_tdlocal (tg, gr, time) |
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| subroutine | target_oct_m::target_init_classical (ions, namespace, tg, td, oct) |
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| subroutine | target_oct_m::target_end_classical (tg) |
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| subroutine | target_oct_m::target_output_classical |
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| real(real64) function | target_oct_m::target_j1_classical (tg, qcpsi) |
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| subroutine | target_oct_m::target_chi_classical (tg, qcpsi, qcchi, ions) |
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| subroutine | target_oct_m::target_init_spin (tg, namespace) |
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| real(real64) function | target_oct_m::target_j1_spin (tg, gr, psi) |
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| subroutine | target_oct_m::target_chi_spin (tg, gr, psi_in, chi_out) |
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| integer, parameter, public | target_oct_m::oct_tg_groundstate = 1 |
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| integer, parameter, public | target_oct_m::oct_tg_excited = 2 |
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| integer, parameter, public | target_oct_m::oct_tg_gstransformation = 3 |
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| integer, parameter, public | target_oct_m::oct_tg_userdefined = 4 |
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| integer, parameter, public | target_oct_m::oct_tg_jdensity = 5 |
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| integer, parameter, public | target_oct_m::oct_tg_local = 6 |
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| integer, parameter, public | target_oct_m::oct_tg_td_local = 7 |
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| integer, parameter, public | target_oct_m::oct_tg_exclude_state = 8 |
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| integer, parameter, public | target_oct_m::oct_tg_hhg = 9 |
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| integer, parameter, public | target_oct_m::oct_tg_velocity = 10 |
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| integer, parameter, public | target_oct_m::oct_tg_hhgnew = 12 |
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| integer, parameter, public | target_oct_m::oct_tg_classical = 13 |
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| integer, parameter, public | target_oct_m::oct_tg_spin = 14 |
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| integer, parameter, public | target_oct_m::oct_targetmode_static = 0 |
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| integer, parameter, public | target_oct_m::oct_targetmode_td = 1 |
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| integer, parameter, public | target_oct_m::oct_no_curr = 0 |
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| integer, parameter, public | target_oct_m::oct_curr_square = 1 |
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| integer, parameter, public | target_oct_m::oct_max_curr_ring = 2 |
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| integer, parameter, public | target_oct_m::oct_curr_square_td = 3 |
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1.9.4