Data Types
type	td_write_prop_t
	File handler. More...

type	td_write_t
	Time-dependent Write Properties. More...

Functions/Subroutines
subroutine, public	td_write_kick (outp, namespace, space, mesh, kick, ions, iter)

subroutine, public	td_write_init (writ, namespace, space, outp, gr, st, hm, ions, ext_partners, ks, ions_move, with_gauge_field, kick, iter, max_iter, dt, mc)
	Initialize files to write when prograting in time. More...

subroutine, public	td_write_end (writ)

subroutine, public	td_write_iter (writ, namespace, space, outp, gr, st, hm, ions, ext_partners, kick, ks, dt, iter, mc, recalculate_gs)

subroutine, public	td_write_data (writ)

subroutine, public	td_write_output (namespace, space, gr, st, hm, ks, outp, ions, ext_partners, iter, dt)

subroutine	td_write_spin (out_spin, mesh, st, iter)

subroutine	td_write_local_magnetic_moments (out_magnets, gr, st, ions, lmm_r, iter)

subroutine	td_write_tot_mag (out_magnets, mesh, st, kick, iter)

subroutine	td_write_angular (out_angular, namespace, space, gr, ions, hm, st, kick, iter)
	Computes and outputs the orbital angular momentum defined by. More...

subroutine	td_write_multipole (out_multip, space, gr, ions, st, lmax, kick, iter)
	Top-level routine that write multipoles to file, or files depending on whether a state-resolved output is requested. More...

subroutine	td_write_multipole_r (out_multip, space, mesh, ions, st, lmax, kick, rho, iter, mpi_grp)
	Write multipoles to the corresponding file. More...

subroutine	td_write_ftchd (out_ftchd, space, mesh, st, kick, iter)

subroutine	td_write_temperature (out_temperature, ions, iter)

subroutine	td_write_populations (out_populations, namespace, space, mesh, st, writ, dt, iter)

subroutine	td_write_acc (out_acc, namespace, space, gr, ions, st, hm, ext_partners, dt, iter)

subroutine	td_write_vel (out_vel, elec_me, kpoints, iter)

subroutine	td_write_laser (out_laser, space, lasers, dt, iter)

subroutine	td_write_energy (out_energy, hm, iter, ke)

subroutine	td_write_eigs (out_eigs, st, iter)

subroutine	td_write_ionch (out_ionch, mesh, st, iter)

subroutine	td_write_proj (out_proj, space, mesh, ions, st, gs_st, kick, iter)

subroutine	td_write_n_ex (out_nex, outp, namespace, mesh, kpoints, st, gs_st, iter)
	This routine computes the total number of excited electrons based on projections on the GS orbitals The procedure is very similar to the td_write_proj. More...

subroutine	calc_projections (mesh, st, gs_st, projections)
	This subroutine calculates: More...

subroutine	td_write_proj_kp (mesh, kpoints, st, gs_st, namespace, iter)

subroutine	td_write_floquet (namespace, space, hm, ext_partners, mesh, st, iter)

subroutine	td_write_total_current (out_total_current, space, mesh, st, iter)

subroutine	td_write_total_heat_current (write_obj, space, hm, gr, st, iter)

subroutine	td_write_partial_charges (out_partial_charges, mesh, st, ions, iter)

subroutine	td_write_q (out_q, space, ks, iter)

subroutine	td_write_mxll_field (out_mxll, space, hm, dt, iter)

subroutine	td_write_effective_u (out_coords, lda_u, iter)

subroutine	td_write_norm_ks_orbitals (file_handle, grid, kpoints, st, iter)
	Write the norm of the KS orbitals to file as a function of time step. More...

subroutine, public	td_write_mxll_init (writ, namespace, iter, dt)

subroutine, public	td_write_mxll_end (writ)

subroutine, public	td_write_mxll_iter (writ, space, gr, st, hm, helmholtz, dt, iter, namespace)

subroutine	td_write_maxwell_energy (out_maxwell_energy, hm, iter)

subroutine	td_write_electric_field_box_surface (out_field_surf, st, dim, iter)

subroutine	td_write_magnetic_field_box_surface (out_field_surf, st, dim, iter)

subroutine	td_write_fields (out_fields, space, st, iter, dt, e_or_b_field, field_type, idir)

subroutine, public	td_write_mxll_free_data (writ, namespace, space, gr, st, hm, helmholtz, outp, iter, time)

Variables
integer, parameter, public	out_multipoles = 1
	Output mode unique identifiers. More...

integer, parameter, public	out_angular = 2

integer, parameter, public	out_spin = 3

integer, parameter, public	out_populations = 4

integer, parameter, public	out_coords = 5

integer, parameter, public	out_acc = 6

integer, parameter, public	out_laser = 7

integer, parameter, public	out_energy = 8

integer, parameter, public	out_proj = 9

integer, parameter, public	out_magnets = 10

integer, parameter, public	out_gauge_field = 11

integer, parameter, public	out_temperature = 12

integer, parameter, public	out_ftchd = 13

integer, parameter, public	out_vel = 14

integer, parameter, public	out_eigs = 15

integer, parameter, public	out_ion_ch = 16

integer, parameter, public	out_total_current = 17

integer, parameter, public	out_partial_charges = 18

integer, parameter, public	out_kp_proj = 19

integer, parameter, public	out_floquet = 20

integer, parameter, public	out_n_ex = 21

integer, parameter, public	out_separate_coords = 22

integer, parameter, public	out_separate_velocity = 23

integer, parameter, public	out_separate_forces = 24

integer, parameter, public	out_total_heat_current = 25

integer, parameter, public	out_tot_m = 26

integer, parameter, public	out_q = 27

integer, parameter, public	out_mxll_field = 28

integer, parameter, public	out_norm_ks = 29

integer, parameter, public	out_max = 29

character(len=100), dimension(out_max)	td_file_name = [character(100) :: "NULL", "angular", "spin", "populations", "coordinates", "acceleration", "NULL", "energy", "projections", "magnetic_moments", "gauge_field", "temperature", "NULL", "velocity", "eigenvalues", "ion_ch", "total_current", "partial_charges", "projections", "floquet_bands", "n_ex", "onlyCoordinates", "onlyVelocities", "onlyForces", "total_heat_current", "total_magnetization", "photons_q", "maxwell_dipole_field", "norm_wavefunctions"]
	File names of TD files that are initialised in a consistent way. More...

integer, parameter	out_dftu_effective_u = 1

integer, parameter	out_dftu_max = 1
	For the Maxwell fields we increment in steps of 3 to leave room for x, y, and z output. More...

integer, parameter	out_maxwell_total_e_field = 1

integer, parameter	out_maxwell_total_b_field = 4

integer, parameter	out_maxwell_long_e_field = 7

integer, parameter	out_maxwell_long_b_field = 10

integer, parameter	out_maxwell_trans_e_field = 13

integer, parameter	out_maxwell_trans_b_field = 16

integer, parameter	out_maxwell_energy = 19

integer, parameter	out_e_field_surface_x = 20

integer, parameter	out_e_field_surface_y = 21

integer, parameter	out_e_field_surface_z = 22

integer, parameter	out_b_field_surface_x = 23

integer, parameter	out_b_field_surface_y = 24

integer, parameter	out_b_field_surface_z = 25

integer, parameter, public	out_maxwell_max = 25

integer, parameter	maxwell_total_field = 1

integer, parameter	maxwell_long_field = 2

integer, parameter	maxwell_trans_field = 3

integer, parameter	maxwell_e_field = 1

integer, parameter	maxwell_b_field = 2

Function/Subroutine Documentation

◆ td_write_kick()

subroutine, public td_write_oct_m::td_write_kick	(	type(output_t), intent(in)	outp,
		type(namespace_t), intent(in)	namespace,
		type(electron_space_t), intent(in)	space,
		class(mesh_t), intent(in)	mesh,
		type(kick_t), intent(in)	kick,
		type(ions_t), intent(in)	ions,
		integer, intent(in)	iter
	)

Definition at line 333 of file td_write.F90.

◆ td_write_init()

subroutine, public td_write_oct_m::td_write_init	(	type(td_write_t), intent(out), target	writ,
		type(namespace_t), intent(in)	namespace,
		type(electron_space_t), intent(in)	space,
		type(output_t), intent(inout)	outp,
		type(grid_t), intent(in)	gr,
		type(states_elec_t), intent(inout)	st,
		type(hamiltonian_elec_t), intent(inout)	hm,
		type(ions_t), intent(in)	ions,
		type(partner_list_t), intent(in)	ext_partners,
		type(v_ks_t), intent(inout)	ks,
		logical, intent(in)	ions_move,
		logical, intent(in)	with_gauge_field,
		type(kick_t), intent(in)	kick,
		integer, intent(in)	iter,
		integer, intent(in)	max_iter,
		real(real64), intent(in)	dt,
		type(multicomm_t), intent(in)	mc
	)

Initialize files to write when prograting in time.

Schematic Outline of the Routine

Parse IO options from input
Assign which files are to be written by setting writout(i)write, where i is consistent with the output mode unique identifiers.
Santity checks and warnings/fatal errors
In some instances, do additional work that should not be in a write routine
Initialise C file handle for each file to be written, by calling write_iter_init

Definition at line 370 of file td_write.F90.

◆ td_write_end()

subroutine, public td_write_oct_m::td_write_end ( type(td_write_t), intent(inout) writ )

Definition at line 981 of file td_write.F90.

◆ td_write_iter()

subroutine, public td_write_oct_m::td_write_iter	(	type(td_write_t), intent(inout)	writ,
		type(namespace_t), intent(in)	namespace,
		class(space_t), intent(in)	space,
		type(output_t), intent(in)	outp,
		type(grid_t), intent(in)	gr,
		type(states_elec_t), intent(inout)	st,
		type(hamiltonian_elec_t), intent(inout)	hm,
		type(ions_t), intent(inout)	ions,
		type(partner_list_t), intent(in)	ext_partners,
		type(kick_t), intent(in)	kick,
		type(v_ks_t), intent(in)	ks,
		real(real64), intent(in)	dt,
		integer, intent(in)	iter,
		type(multicomm_t), intent(in)	mc,
		logical, intent(in)	recalculate_gs
	)

Parameters

[in,out]	writ	Write object
[in]	gr	The grid
[in,out]	st	State object
[in,out]	hm	Hamiltonian object
[in,out]	ions	Geometry object
[in]	kick	The kick
[in]	ks	Kohn-Sham object
[in]	dt	Delta T, time interval
[in]	iter	Iteration number
[in]	recalculate_gs	Do we recompute the GS states during TD

Definition at line 1028 of file td_write.F90.

◆ td_write_data()

subroutine, public td_write_oct_m::td_write_data ( type(td_write_t), intent(inout) writ )

Definition at line 1193 of file td_write.F90.

◆ td_write_output()

subroutine, public td_write_oct_m::td_write_output	(	type(namespace_t), intent(in)	namespace,
		type(electron_space_t), intent(in)	space,
		type(grid_t), intent(in)	gr,
		type(states_elec_t), intent(inout)	st,
		type(hamiltonian_elec_t), intent(inout)	hm,
		type(v_ks_t), intent(inout)	ks,
		type(output_t), intent(in)	outp,
		type(ions_t), intent(in)	ions,
		type(partner_list_t), intent(in)	ext_partners,
		integer, intent(in)	iter,
		real(real64), intent(in), optional	dt
	)

Definition at line 1227 of file td_write.F90.

◆ td_write_spin()

subroutine td_write_oct_m::td_write_spin	(	type(c_ptr), intent(inout)	out_spin,
		class(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(in)	st,
		integer, intent(in)	iter
	)

private

Definition at line 1268 of file td_write.F90.

◆ td_write_local_magnetic_moments()

subroutine td_write_oct_m::td_write_local_magnetic_moments	(	type(c_ptr), intent(inout)	out_magnets,
		type(grid_t), intent(in)	gr,
		type(states_elec_t), intent(in)	st,
		type(ions_t), intent(in)	ions,
		real(real64), intent(in)	lmm_r,
		integer, intent(in)	iter
	)

private

Definition at line 1320 of file td_write.F90.

◆ td_write_tot_mag()

subroutine td_write_oct_m::td_write_tot_mag	(	type(c_ptr), intent(inout)	out_magnets,
		class(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(in)	st,
		type(kick_t), intent(in)	kick,
		integer, intent(in)	iter
	)

private

Definition at line 1377 of file td_write.F90.

◆ td_write_angular()

subroutine td_write_oct_m::td_write_angular	(	type(c_ptr), intent(inout)	out_angular,
		type(namespace_t), intent(in)	namespace,
		class(space_t), intent(in)	space,
		type(grid_t), intent(in)	gr,
		type(ions_t), intent(inout)	ions,
		type(hamiltonian_elec_t), intent(inout)	hm,
		type(states_elec_t), intent(inout)	st,
		type(kick_t), intent(in)	kick,
		integer, intent(in)	iter
	)

private

Computes and outputs the orbital angular momentum defined by.

\[ \mathbf{L} = \sum_n \langle n | \mathbf{\hat{r}}\times \mathbf{\hat{v}} | n \rangle \]

where \(\mathbf{\hat{v}}\) is the velocity operator.

Definition at line 1444 of file td_write.F90.

◆ td_write_multipole()

subroutine td_write_oct_m::td_write_multipole	(	type(td_write_prop_t), intent(inout)	out_multip,
		class(space_t), intent(in)	space,
		type(grid_t), intent(in)	gr,
		type(ions_t), intent(in)	ions,
		type(states_elec_t), intent(in)	st,
		integer, intent(in)	lmax,
		type(kick_t), intent(in)	kick,
		integer, intent(in)	iter
	)

private

Top-level routine that write multipoles to file, or files depending on whether a state-resolved output is requested.

Parameters

[in]	gr	The grid
[in]	ions	Geometry object
[in]	st	State object
[in]	kick	Kick object
[in]	iter	Iteration number

Definition at line 1515 of file td_write.F90.

◆ td_write_multipole_r()

subroutine td_write_oct_m::td_write_multipole_r	(	type(c_ptr), intent(inout)	out_multip,
		class(space_t), intent(in)	space,
		class(mesh_t), intent(in)	mesh,
		type(ions_t), intent(in)	ions,
		type(states_elec_t), intent(in)	st,
		integer, intent(in)	lmax,
		type(kick_t), intent(in)	kick,
		real(real64), dimension(:,:), intent(in)	rho,
		integer, intent(in)	iter,
		type(mpi_grp_t), intent(in), optional	mpi_grp
	)

private

Write multipoles to the corresponding file.

Parameters

[in,out]	out_multip	C pointer
[in]	mesh	The mesh
[in]	ions	Geometry object
[in]	st	State object
[in]	kick	Kick object
[in]	iter	Iteration number

Definition at line 1562 of file td_write.F90.

◆ td_write_ftchd()

subroutine td_write_oct_m::td_write_ftchd	(	type(c_ptr), intent(inout)	out_ftchd,
		class(space_t), intent(in)	space,
		class(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(in)	st,
		type(kick_t), intent(in)	kick,
		integer, intent(in)	iter
	)

private

Definition at line 1689 of file td_write.F90.

◆ td_write_temperature()

subroutine td_write_oct_m::td_write_temperature	(	type(c_ptr), intent(inout)	out_temperature,
		type(ions_t), intent(in)	ions,
		integer, intent(in)	iter
	)

private

Definition at line 1796 of file td_write.F90.

◆ td_write_populations()

subroutine td_write_oct_m::td_write_populations	(	type(c_ptr), intent(inout)	out_populations,
		type(namespace_t), intent(in)	namespace,
		class(space_t), intent(in)	space,
		class(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(inout)	st,
		type(td_write_t), intent(in)	writ,
		real(real64), intent(in)	dt,
		integer, intent(in)	iter
	)

private

Definition at line 1833 of file td_write.F90.

◆ td_write_acc()

subroutine td_write_oct_m::td_write_acc	(	type(c_ptr), intent(inout)	out_acc,
		type(namespace_t), intent(in)	namespace,
		class(space_t), intent(in)	space,
		type(grid_t), intent(in)	gr,
		type(ions_t), intent(inout)	ions,
		type(states_elec_t), intent(inout)	st,
		type(hamiltonian_elec_t), intent(inout)	hm,
		type(partner_list_t), intent(in)	ext_partners,
		real(real64), intent(in)	dt,
		integer, intent(in)	iter
	)

private

Definition at line 1913 of file td_write.F90.

◆ td_write_vel()

subroutine td_write_oct_m::td_write_vel	(	type(c_ptr), intent(inout)	out_vel,
		type(elec_matrix_elements_t), intent(in)	elec_me,
		type(kpoints_t), intent(in)	kpoints,
		integer, intent(in)	iter
	)

private

Definition at line 1965 of file td_write.F90.

◆ td_write_laser()

subroutine td_write_oct_m::td_write_laser	(	type(c_ptr), intent(inout)	out_laser,
		class(space_t), intent(in)	space,
		type(lasers_t), intent(inout)	lasers,
		real(real64), intent(in)	dt,
		integer, intent(in)	iter
	)

private

Definition at line 2012 of file td_write.F90.

◆ td_write_energy()

subroutine td_write_oct_m::td_write_energy	(	type(c_ptr), intent(inout)	out_energy,
		type(hamiltonian_elec_t), intent(in)	hm,
		integer, intent(in)	iter,
		real(real64), intent(in)	ke
	)

private

Definition at line 2134 of file td_write.F90.

◆ td_write_eigs()

subroutine td_write_oct_m::td_write_eigs	(	type(c_ptr), intent(inout)	out_eigs,
		type(states_elec_t), intent(in)	st,
		integer, intent(in)	iter
	)

private

Definition at line 2217 of file td_write.F90.

◆ td_write_ionch()

subroutine td_write_oct_m::td_write_ionch	(	type(c_ptr), intent(inout)	out_ionch,
		class(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(in)	st,
		integer, intent(in)	iter
	)

private

Definition at line 2278 of file td_write.F90.

◆ td_write_proj()

subroutine td_write_oct_m::td_write_proj	(	type(c_ptr), intent(inout)	out_proj,
		class(space_t), intent(in)	space,
		class(mesh_t), intent(in)	mesh,
		type(ions_t), intent(in)	ions,
		type(states_elec_t), intent(inout)	st,
		type(states_elec_t), intent(in)	gs_st,
		type(kick_t), intent(in)	kick,
		integer, intent(in)	iter
	)

private

Definition at line 2371 of file td_write.F90.

◆ td_write_n_ex()

subroutine td_write_oct_m::td_write_n_ex	(	type(c_ptr), intent(inout)	out_nex,
		type(output_t), intent(in)	outp,
		type(namespace_t), intent(in)	namespace,
		class(mesh_t), intent(in)	mesh,
		type(kpoints_t), intent(in)	kpoints,
		type(states_elec_t), intent(inout)	st,
		type(states_elec_t), intent(inout)	gs_st,
		integer, intent(in)	iter
	)

private

This routine computes the total number of excited electrons based on projections on the GS orbitals The procedure is very similar to the td_write_proj.

Definition at line 2547 of file td_write.F90.

◆ calc_projections()

subroutine td_write_oct_m::calc_projections	(	class(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(inout)	st,
		type(states_elec_t), intent(in)	gs_st,
		complex(real64), dimension(1:st%nst, gs_st%st_start:gs_st%nst, 1:st%nik), intent(inout)	projections
	)

private

This subroutine calculates:

\[ p(uist, ist, ik) = < \phi(ist, ik) (t) | \phi_0(uist, k) > \]

Definition at line 2664 of file td_write.F90.

◆ td_write_proj_kp()

subroutine td_write_oct_m::td_write_proj_kp	(	class(mesh_t), intent(in)	mesh,
		type(kpoints_t), intent(in)	kpoints,
		type(states_elec_t), intent(in)	st,
		type(states_elec_t), intent(inout)	gs_st,
		type(namespace_t), intent(in)	namespace,
		integer, intent(in)	iter
	)

private

Definition at line 2698 of file td_write.F90.

◆ td_write_floquet()

subroutine td_write_oct_m::td_write_floquet	(	type(namespace_t), intent(in)	namespace,
		class(space_t), intent(in)	space,
		type(hamiltonian_elec_t), intent(inout)	hm,
		type(partner_list_t), intent(in)	ext_partners,
		class(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(inout)	st,
		integer, intent(in)	iter
	)

private

Parameters

[in,out] st at iter=0 this is the groundstate

Definition at line 2792 of file td_write.F90.

◆ td_write_total_current()

subroutine td_write_oct_m::td_write_total_current	(	type(c_ptr), intent(inout)	out_total_current,
		class(space_t), intent(in)	space,
		class(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(in)	st,
		integer, intent(in)	iter
	)

private

Definition at line 3068 of file td_write.F90.

◆ td_write_total_heat_current()

subroutine td_write_oct_m::td_write_total_heat_current	(	type(c_ptr), intent(inout)	write_obj,
		class(space_t), intent(in)	space,
		type(hamiltonian_elec_t), intent(inout)	hm,
		type(grid_t), intent(in)	gr,
		type(states_elec_t), intent(in)	st,
		integer, intent(in)	iter
	)

private

Definition at line 3165 of file td_write.F90.

◆ td_write_partial_charges()

subroutine td_write_oct_m::td_write_partial_charges	(	type(c_ptr), intent(inout)	out_partial_charges,
		class(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(in)	st,
		type(ions_t), intent(in)	ions,
		integer, intent(in)	iter
	)

private

Definition at line 3221 of file td_write.F90.

◆ td_write_q()

subroutine td_write_oct_m::td_write_q	(	type(c_ptr), intent(inout)	out_q,
		class(space_t), intent(in)	space,
		type(v_ks_t), intent(in)	ks,
		integer, intent(in)	iter
	)

private

Definition at line 3270 of file td_write.F90.

◆ td_write_mxll_field()

subroutine td_write_oct_m::td_write_mxll_field	(	type(c_ptr), intent(inout)	out_mxll,
		class(space_t), intent(in)	space,
		type(hamiltonian_elec_t), intent(in)	hm,
		real(real64), intent(in)	dt,
		integer, intent(in)	iter
	)

private

Definition at line 3313 of file td_write.F90.

◆ td_write_effective_u()

subroutine td_write_oct_m::td_write_effective_u	(	type(c_ptr), intent(inout)	out_coords,
		type(lda_u_t), intent(in)	lda_u,
		integer, intent(in)	iter
	)

private

Definition at line 3398 of file td_write.F90.

◆ td_write_norm_ks_orbitals()

subroutine td_write_oct_m::td_write_norm_ks_orbitals	(	type(c_ptr), intent(inout)	file_handle,
		type(grid_t), intent(in)	grid,
		type(kpoints_t), intent(in)	kpoints,
		type(states_elec_t), intent(in)	st,
		integer, intent(in)	iter
	)

private

Write the norm of the KS orbitals to file as a function of time step.

Parameters

[in,out]	file_handle	File handle
[in]	st	KS states
[in]	iter	TD step

Definition at line 3487 of file td_write.F90.

◆ td_write_mxll_init()

subroutine, public td_write_oct_m::td_write_mxll_init	(	type(td_write_t), intent(out)	writ,
		type(namespace_t), intent(in)	namespace,
		integer, intent(in)	iter,
		real(real64), intent(in)	dt
	)

Definition at line 3555 of file td_write.F90.

◆ td_write_mxll_end()

subroutine, public td_write_oct_m::td_write_mxll_end ( type(td_write_t), intent(inout) writ )

Definition at line 3743 of file td_write.F90.

◆ td_write_mxll_iter()

subroutine, public td_write_oct_m::td_write_mxll_iter	(	type(td_write_t), intent(inout)	writ,
		class(space_t), intent(in)	space,
		type(grid_t), intent(inout)	gr,
		type(states_mxll_t), intent(inout)	st,
		type(hamiltonian_mxll_t), intent(inout)	hm,
		type(helmholtz_decomposition_t), intent(inout)	helmholtz,
		real(real64), intent(in)	dt,
		integer, intent(in)	iter,
		type(namespace_t), intent(in)	namespace
	)

Definition at line 3759 of file td_write.F90.

◆ td_write_maxwell_energy()

subroutine td_write_oct_m::td_write_maxwell_energy	(	type(c_ptr), intent(inout)	out_maxwell_energy,
		type(hamiltonian_mxll_t), intent(in)	hm,
		integer, intent(in)	iter
	)

private

Definition at line 3889 of file td_write.F90.

◆ td_write_electric_field_box_surface()

subroutine td_write_oct_m::td_write_electric_field_box_surface	(	type(c_ptr), intent(inout)	out_field_surf,
		type(states_mxll_t), intent(in)	st,
		integer, intent(in)	dim,
		integer, intent(in)	iter
	)

private

Definition at line 3950 of file td_write.F90.

◆ td_write_magnetic_field_box_surface()

subroutine td_write_oct_m::td_write_magnetic_field_box_surface	(	type(c_ptr), intent(inout)	out_field_surf,
		type(states_mxll_t), intent(in)	st,
		integer, intent(in)	dim,
		integer, intent(in)	iter
	)

private

Definition at line 4030 of file td_write.F90.

◆ td_write_fields()

subroutine td_write_oct_m::td_write_fields	(	type(c_ptr), intent(inout)	out_fields,
		class(space_t), intent(in)	space,
		type(states_mxll_t), intent(in)	st,
		integer, intent(in)	iter,
		real(real64), intent(in)	dt,
		integer, intent(in)	e_or_b_field,
		integer, intent(in)	field_type,
		integer, intent(in)	idir
	)

private

Definition at line 4109 of file td_write.F90.

◆ td_write_mxll_free_data()

subroutine, public td_write_oct_m::td_write_mxll_free_data	(	type(td_write_t), intent(inout)	writ,
		type(namespace_t), intent(in)	namespace,
		class(space_t), intent(in)	space,
		type(grid_t), intent(inout)	gr,
		type(states_mxll_t), intent(inout)	st,
		type(hamiltonian_mxll_t), intent(inout)	hm,
		type(helmholtz_decomposition_t), intent(inout)	helmholtz,
		type(output_t), intent(in)	outp,
		integer, intent(in)	iter,
		real(real64), intent(in)	time
	)

Definition at line 4201 of file td_write.F90.

Variable Documentation

◆ out_multipoles

integer, parameter, public td_write_oct_m::out_multipoles = 1

Output mode unique identifiers.

Definition at line 201 of file td_write.F90.

◆ out_angular

integer, parameter, public td_write_oct_m::out_angular = 2

Definition at line 201 of file td_write.F90.

◆ out_spin

integer, parameter, public td_write_oct_m::out_spin = 3

Definition at line 201 of file td_write.F90.

◆ out_populations

integer, parameter, public td_write_oct_m::out_populations = 4

Definition at line 201 of file td_write.F90.

◆ out_coords

integer, parameter, public td_write_oct_m::out_coords = 5

Definition at line 201 of file td_write.F90.

◆ out_acc

integer, parameter, public td_write_oct_m::out_acc = 6

Definition at line 201 of file td_write.F90.

◆ out_laser

integer, parameter, public td_write_oct_m::out_laser = 7

Definition at line 201 of file td_write.F90.

◆ out_energy

integer, parameter, public td_write_oct_m::out_energy = 8

Definition at line 201 of file td_write.F90.

◆ out_proj

integer, parameter, public td_write_oct_m::out_proj = 9

Definition at line 201 of file td_write.F90.

◆ out_magnets

integer, parameter, public td_write_oct_m::out_magnets = 10

Definition at line 201 of file td_write.F90.

◆ out_gauge_field

integer, parameter, public td_write_oct_m::out_gauge_field = 11

Definition at line 201 of file td_write.F90.

◆ out_temperature

integer, parameter, public td_write_oct_m::out_temperature = 12

Definition at line 201 of file td_write.F90.

◆ out_ftchd

integer, parameter, public td_write_oct_m::out_ftchd = 13

Definition at line 201 of file td_write.F90.

◆ out_vel

integer, parameter, public td_write_oct_m::out_vel = 14

Definition at line 201 of file td_write.F90.

◆ out_eigs

integer, parameter, public td_write_oct_m::out_eigs = 15

Definition at line 201 of file td_write.F90.

◆ out_ion_ch

integer, parameter, public td_write_oct_m::out_ion_ch = 16

Definition at line 201 of file td_write.F90.

◆ out_total_current

integer, parameter, public td_write_oct_m::out_total_current = 17

Definition at line 201 of file td_write.F90.

◆ out_partial_charges

integer, parameter, public td_write_oct_m::out_partial_charges = 18

Definition at line 201 of file td_write.F90.

◆ out_kp_proj

integer, parameter, public td_write_oct_m::out_kp_proj = 19

Definition at line 201 of file td_write.F90.

◆ out_floquet

integer, parameter, public td_write_oct_m::out_floquet = 20

Definition at line 201 of file td_write.F90.

◆ out_n_ex

integer, parameter, public td_write_oct_m::out_n_ex = 21

Definition at line 201 of file td_write.F90.

◆ out_separate_coords

integer, parameter, public td_write_oct_m::out_separate_coords = 22

Definition at line 201 of file td_write.F90.

◆ out_separate_velocity

integer, parameter, public td_write_oct_m::out_separate_velocity = 23

Definition at line 201 of file td_write.F90.

◆ out_separate_forces

integer, parameter, public td_write_oct_m::out_separate_forces = 24

Definition at line 201 of file td_write.F90.

◆ out_total_heat_current

integer, parameter, public td_write_oct_m::out_total_heat_current = 25

Definition at line 201 of file td_write.F90.

◆ out_tot_m

integer, parameter, public td_write_oct_m::out_tot_m = 26

Definition at line 201 of file td_write.F90.

◆ out_q

integer, parameter, public td_write_oct_m::out_q = 27

Definition at line 201 of file td_write.F90.

◆ out_mxll_field

integer, parameter, public td_write_oct_m::out_mxll_field = 28

Definition at line 201 of file td_write.F90.

◆ out_norm_ks

integer, parameter, public td_write_oct_m::out_norm_ks = 29

Definition at line 201 of file td_write.F90.

◆ out_max

integer, parameter, public td_write_oct_m::out_max = 29

Definition at line 201 of file td_write.F90.

◆ td_file_name

character(len=100), dimension(out_max) td_write_oct_m::td_file_name = [character(100) :: "NULL", "angular", "spin", "populations", "coordinates", "acceleration", "NULL", "energy", "projections", "magnetic_moments", "gauge_field", "temperature", "NULL", "velocity", "eigenvalues", "ion_ch", "total_current", "partial_charges", "projections", "floquet_bands", "n_ex", "onlyCoordinates", "onlyVelocities", "onlyForces", "total_heat_current", "total_magnetization", "photons_q", "maxwell_dipole_field", "norm_wavefunctions"]

private

File names of TD files that are initialised in a consistent way.

Definition at line 238 of file td_write.F90.

◆ out_dftu_effective_u

integer, parameter td_write_oct_m::out_dftu_effective_u = 1

private

Definition at line 269 of file td_write.F90.

◆ out_dftu_max

integer, parameter td_write_oct_m::out_dftu_max = 1

private

For the Maxwell fields we increment in steps of 3 to leave room for x, y, and z output.

Definition at line 269 of file td_write.F90.

◆ out_maxwell_total_e_field

integer, parameter td_write_oct_m::out_maxwell_total_e_field = 1

private

Definition at line 274 of file td_write.F90.

◆ out_maxwell_total_b_field

integer, parameter td_write_oct_m::out_maxwell_total_b_field = 4

private

Definition at line 274 of file td_write.F90.

◆ out_maxwell_long_e_field

integer, parameter td_write_oct_m::out_maxwell_long_e_field = 7

private

Definition at line 274 of file td_write.F90.

◆ out_maxwell_long_b_field

integer, parameter td_write_oct_m::out_maxwell_long_b_field = 10

private

Definition at line 274 of file td_write.F90.

◆ out_maxwell_trans_e_field

integer, parameter td_write_oct_m::out_maxwell_trans_e_field = 13

private

Definition at line 274 of file td_write.F90.

◆ out_maxwell_trans_b_field

integer, parameter td_write_oct_m::out_maxwell_trans_b_field = 16

private

Definition at line 274 of file td_write.F90.

◆ out_maxwell_energy

integer, parameter td_write_oct_m::out_maxwell_energy = 19

private

Definition at line 274 of file td_write.F90.

◆ out_e_field_surface_x

integer, parameter td_write_oct_m::out_e_field_surface_x = 20

private

Definition at line 274 of file td_write.F90.

◆ out_e_field_surface_y

integer, parameter td_write_oct_m::out_e_field_surface_y = 21

private

Definition at line 274 of file td_write.F90.

◆ out_e_field_surface_z

integer, parameter td_write_oct_m::out_e_field_surface_z = 22

private

Definition at line 274 of file td_write.F90.

◆ out_b_field_surface_x

integer, parameter td_write_oct_m::out_b_field_surface_x = 23

private

Definition at line 274 of file td_write.F90.

◆ out_b_field_surface_y

integer, parameter td_write_oct_m::out_b_field_surface_y = 24

private

Definition at line 274 of file td_write.F90.

◆ out_b_field_surface_z

integer, parameter td_write_oct_m::out_b_field_surface_z = 25

private

Definition at line 274 of file td_write.F90.

◆ out_maxwell_max

integer, parameter, public td_write_oct_m::out_maxwell_max = 25

Definition at line 289 of file td_write.F90.

◆ maxwell_total_field

integer, parameter td_write_oct_m::maxwell_total_field = 1

private

Definition at line 292 of file td_write.F90.

◆ maxwell_long_field

integer, parameter td_write_oct_m::maxwell_long_field = 2

private

Definition at line 292 of file td_write.F90.

◆ maxwell_trans_field

integer, parameter td_write_oct_m::maxwell_trans_field = 3

private

Definition at line 292 of file td_write.F90.

◆ maxwell_e_field

integer, parameter td_write_oct_m::maxwell_e_field = 1

private

Definition at line 297 of file td_write.F90.

◆ maxwell_b_field

integer, parameter td_write_oct_m::maxwell_b_field = 2

private

Definition at line 297 of file td_write.F90.

Data Types

Functions/Subroutines

Variables

Function/Subroutine Documentation

◆ td_write_kick()

◆ td_write_init()

Schematic Outline of the Routine

◆ td_write_end()

◆ td_write_iter()

◆ td_write_data()

◆ td_write_output()

◆ td_write_spin()

◆ td_write_local_magnetic_moments()

◆ td_write_tot_mag()

◆ td_write_angular()

◆ td_write_multipole()

◆ td_write_multipole_r()

◆ td_write_ftchd()

◆ td_write_temperature()

◆ td_write_populations()

◆ td_write_acc()

◆ td_write_vel()

◆ td_write_laser()

◆ td_write_energy()

◆ td_write_eigs()

◆ td_write_ionch()

◆ td_write_proj()

◆ td_write_n_ex()

◆ calc_projections()

◆ td_write_proj_kp()

◆ td_write_floquet()

◆ td_write_total_current()

◆ td_write_total_heat_current()

◆ td_write_partial_charges()

◆ td_write_q()

◆ td_write_mxll_field()

◆ td_write_effective_u()

◆ td_write_norm_ks_orbitals()

◆ td_write_mxll_init()

◆ td_write_mxll_end()

◆ td_write_mxll_iter()

◆ td_write_maxwell_energy()

◆ td_write_electric_field_box_surface()

◆ td_write_magnetic_field_box_surface()

◆ td_write_fields()

◆ td_write_mxll_free_data()

Variable Documentation

◆ out_multipoles

◆ out_angular

◆ out_spin

◆ out_populations

◆ out_coords

◆ out_acc

◆ out_laser

◆ out_energy

◆ out_proj

◆ out_magnets

◆ out_gauge_field

◆ out_temperature

◆ out_ftchd

◆ out_vel

◆ out_eigs

◆ out_ion_ch

◆ out_total_current

◆ out_partial_charges

◆ out_kp_proj

◆ out_floquet

◆ out_n_ex

◆ out_separate_coords

◆ out_separate_velocity

◆ out_separate_forces

◆ out_total_heat_current

◆ out_tot_m

◆ out_q

◆ out_mxll_field

◆ out_norm_ks

◆ out_max

◆ td_file_name

◆ out_dftu_effective_u

◆ out_dftu_max