target.F90 File Reference

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Modules
module	target_oct_m
	Optimal-control targets: abstract base class and public interface.

Data Types
type	target_oct_m::target_t
	Abstract optimal-control target. More...
interface	target_oct_m::target_init_i
	Read the target definition from the input file. More...
interface	target_oct_m::target_j1_i
	Evaluate the target functional J1. More...
interface	target_oct_m::target_chi_i
	Apply the target operator to build the chi boundary condition. More...
interface	target_oct_m::target_output_i
	Write target-specific output. More...

Functions/Subroutines
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. More...
subroutine, public	target_oct_m::target_get_state (tg, st)
	This just copies the states_elec_t variable present in target, into st. More...
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...
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...
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...
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...
subroutine	target_oct_m::target_cleanup_default (tg, oct)
	Default cleanup: nothing to release. More...
subroutine	target_oct_m::target_tdcalc_default (tg, namespace, space, hm, gr, ions, ext_partners, psi, time, max_time)
	Default tdcalc: static targets accumulate nothing in time. More...
subroutine	target_oct_m::target_inh_default (tg, psi, gr, kpoints, time, inh, iter)
	Default inh: only time-dependent targets define an inhomogeneous term, so reaching here is an internal error. More...
subroutine	target_oct_m::target_init_propagation_default (tg)
	Default init_propagation: nothing to reset. More...
integer pure function, public	target_oct_m::target_mode (tg)
integer pure function, public	target_oct_m::target_type (tg)
integer pure function, public	target_oct_m::target_curr_functional (tg)
logical pure function, public	target_oct_m::target_move_ions (tg)

Variables
integer, parameter, public	target_oct_m::oct_tg_groundstate = 1
integer, parameter, public	target_oct_m::oct_tg_excited = 2
integer, parameter, public	target_oct_m::oct_tg_gstransformation = 3
integer, parameter, public	target_oct_m::oct_tg_userdefined = 4
integer, parameter, public	target_oct_m::oct_tg_jdensity = 5
integer, parameter, public	target_oct_m::oct_tg_local = 6
integer, parameter, public	target_oct_m::oct_tg_td_local = 7
integer, parameter, public	target_oct_m::oct_tg_exclude_state = 8
integer, parameter, public	target_oct_m::oct_tg_hhg = 9
integer, parameter, public	target_oct_m::oct_tg_velocity = 10
integer, parameter, public	target_oct_m::oct_tg_hhgnew = 12
integer, parameter, public	target_oct_m::oct_tg_classical = 13
integer, parameter, public	target_oct_m::oct_tg_spin = 14
integer, parameter, public	target_oct_m::oct_targetmode_static = 0
integer, parameter, public	target_oct_m::oct_targetmode_td = 1
integer, parameter, public	target_oct_m::oct_no_curr = 0
integer, parameter, public	target_oct_m::oct_curr_square = 1
integer, parameter, public	target_oct_m::oct_max_curr_ring = 2
integer, parameter, public	target_oct_m::oct_curr_square_td = 3