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Data Types | Functions/Subroutines
target_density_oct_m Module Reference

Data Types

type  target_density_t
 Target on the density and/or the current. More...
 

Functions/Subroutines

subroutine target_init_density (tg, gr, kpoints, namespace, space, ions, qcs, td, w0, oct, ep, restart)
 
subroutine target_end_density (tg, oct)
 
subroutine target_output_density (tg, namespace, space, gr, dir, ions, hm, outp)
 
real(real64) function target_j1_density (tg, namespace, gr, kpoints, qcpsi, ions)
 
subroutine target_chi_density (tg, namespace, gr, kpoints, qcpsi_in, qcchi_out, ions)
 
subroutine target_tdcalc_density (tg, namespace, space, hm, gr, ions, ext_partners, psi, time, max_time)
 
subroutine target_inh_density (tg, psi, gr, kpoints, time, inh, iter)
 Inhomogeneous term for the current density target. More...
 
real(real64) function jcurr_functional (tg, gr, kpoints, psi)
 Calculates a current functional that may be combined with other functionals found in function target_j1. More...
 
subroutine chi_current (tg, gr, kpoints, factor, psi_in, chi)
 
logical pure function is_spatial_curr_wgt (tg)
 

Function/Subroutine Documentation

◆ target_init_density()

subroutine target_density_oct_m::target_init_density ( class(target_density_t), intent(inout)  tg,
type(grid_t), intent(in)  gr,
type(kpoints_t), intent(in)  kpoints,
type(namespace_t), intent(in)  namespace,
class(space_t), intent(in)  space,
type(ions_t), intent(in)  ions,
type(opt_control_state_t), intent(inout)  qcs,
type(td_t), intent(in)  td,
real(real64), intent(in)  w0,
type(oct_t), intent(in)  oct,
type(epot_t), intent(inout)  ep,
type(restart_t), intent(inout)  restart 
)
private

Definition at line 186 of file target_density.F90.

◆ target_end_density()

subroutine target_density_oct_m::target_end_density ( class(target_density_t), intent(inout)  tg,
type(oct_t), intent(in)  oct 
)
private

Definition at line 497 of file target_density.F90.

◆ target_output_density()

subroutine target_density_oct_m::target_output_density ( class(target_density_t), intent(inout)  tg,
type(namespace_t), intent(in)  namespace,
class(space_t), intent(in)  space,
type(grid_t), intent(in)  gr,
character(len=*), intent(in)  dir,
type(ions_t), intent(in)  ions,
type(hamiltonian_elec_t), intent(in)  hm,
type(output_t), intent(in)  outp 
)
private

Definition at line 515 of file target_density.F90.

◆ target_j1_density()

real(real64) function target_density_oct_m::target_j1_density ( class(target_density_t), intent(inout)  tg,
type(namespace_t), intent(in)  namespace,
type(grid_t), intent(in)  gr,
type(kpoints_t), intent(in)  kpoints,
type(opt_control_state_t), intent(inout)  qcpsi,
type(ions_t), intent(in), optional  ions 
)
private

Definition at line 543 of file target_density.F90.

◆ target_chi_density()

subroutine target_density_oct_m::target_chi_density ( class(target_density_t), intent(inout)  tg,
type(namespace_t), intent(in)  namespace,
type(grid_t), intent(in)  gr,
type(kpoints_t), intent(in)  kpoints,
type(opt_control_state_t), intent(inout), target  qcpsi_in,
type(opt_control_state_t), intent(inout), target  qcchi_out,
type(ions_t), intent(in)  ions 
)
private

Definition at line 598 of file target_density.F90.

◆ target_tdcalc_density()

subroutine target_density_oct_m::target_tdcalc_density ( class(target_density_t), intent(inout)  tg,
type(namespace_t), intent(in)  namespace,
class(space_t), intent(in)  space,
type(hamiltonian_elec_t), intent(inout)  hm,
type(grid_t), intent(in)  gr,
type(ions_t), intent(inout)  ions,
type(partner_list_t), intent(in)  ext_partners,
type(states_elec_t), intent(inout)  psi,
integer, intent(in)  time,
integer, intent(in)  max_time 
)
private

Definition at line 685 of file target_density.F90.

◆ target_inh_density()

subroutine target_density_oct_m::target_inh_density ( class(target_density_t), intent(inout)  tg,
type(states_elec_t), intent(inout)  psi,
type(grid_t), intent(in)  gr,
type(kpoints_t), intent(in)  kpoints,
real(real64), intent(in)  time,
type(states_elec_t), intent(inout)  inh,
integer, intent(in)  iter 
)
private

Inhomogeneous term for the current density target.

Definition at line 713 of file target_density.F90.

◆ jcurr_functional()

real(real64) function target_density_oct_m::jcurr_functional ( type(target_density_t), intent(in)  tg,
type(grid_t), intent(in)  gr,
type(kpoints_t), intent(in)  kpoints,
type(states_elec_t), intent(inout)  psi 
)
private

Calculates a current functional that may be combined with other functionals found in function target_j1.

Definition at line 744 of file target_density.F90.

◆ chi_current()

subroutine target_density_oct_m::chi_current ( type(target_density_t), intent(in)  tg,
type(grid_t), intent(in)  gr,
type(kpoints_t), intent(in)  kpoints,
real(real64), intent(in)  factor,
type(states_elec_t), intent(inout)  psi_in,
type(states_elec_t), intent(inout)  chi 
)
private

Definition at line 805 of file target_density.F90.

◆ is_spatial_curr_wgt()

logical pure function target_density_oct_m::is_spatial_curr_wgt ( type(target_density_t), intent(in)  tg)
private

Definition at line 916 of file target_density.F90.