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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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| |
1.9.4