td_write.F90 File Reference

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Modules
module	td_write_oct_m

Data Types
type	td_write_oct_m::td_write_prop_t
	File handler. More...
type	td_write_oct_m::td_write_t
	Time-dependent Write Properties. More...

Functions/Subroutines
subroutine, public	td_write_oct_m::td_write_kick (outp, namespace, space, mesh, kick, ions, iter)
subroutine, public	td_write_oct_m::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_oct_m::td_write_end (writ)
subroutine, public	td_write_oct_m::td_write_iter (writ, namespace, space, outp, gr, st, hm, ions, ext_partners, kick, ks, dt, iter, mc, recalculate_gs)
subroutine, public	td_write_oct_m::td_write_data (writ)
subroutine, public	td_write_oct_m::td_write_output (namespace, space, gr, st, hm, ks, outp, ions, ext_partners, iter, dt)
subroutine	td_write_oct_m::td_write_spin (out_spin, mesh, st, iter)
subroutine	td_write_oct_m::td_write_local_magnetic_moments (out_magnets, gr, st, ions, lmm_r, iter)
subroutine	td_write_oct_m::td_write_tot_mag (out_magnets, mesh, st, kick, iter)
subroutine	td_write_oct_m::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_oct_m::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_oct_m::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_oct_m::td_write_ftchd (out_ftchd, space, mesh, st, kick, iter)
subroutine	td_write_oct_m::td_write_temperature (out_temperature, ions, iter)
subroutine	td_write_oct_m::td_write_populations (out_populations, namespace, space, mesh, st, writ, dt, iter)
subroutine	td_write_oct_m::td_write_acc (out_acc, namespace, space, gr, ions, st, hm, ext_partners, dt, iter)
subroutine	td_write_oct_m::td_write_vel (out_vel, elec_me, kpoints, iter)
subroutine	td_write_oct_m::td_write_laser (out_laser, space, lasers, dt, iter)
subroutine	td_write_oct_m::td_write_energy (out_energy, hm, iter, ke)
subroutine	td_write_oct_m::td_write_eigs (out_eigs, st, iter)
subroutine	td_write_oct_m::td_write_ionch (out_ionch, mesh, st, iter)
subroutine	td_write_oct_m::td_write_proj (out_proj, space, mesh, ions, st, gs_st, kick, iter)
subroutine	dipole_matrix_elements (dir)
subroutine	td_write_oct_m::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	td_write_oct_m::calc_projections (mesh, st, gs_st, projections)
	This subroutine calculates: More...
subroutine	td_write_oct_m::td_write_proj_kp (mesh, kpoints, st, gs_st, namespace, iter)
subroutine	td_write_oct_m::td_write_floquet (namespace, space, hm, ext_partners, mesh, st, iter)
subroutine	td_write_oct_m::td_write_total_current (out_total_current, space, mesh, st, iter)
subroutine	td_write_oct_m::td_write_total_heat_current (write_obj, space, hm, gr, st, iter)
subroutine	td_write_oct_m::td_write_partial_charges (out_partial_charges, mesh, st, ions, iter)
subroutine	td_write_oct_m::td_write_q (out_q, space, ks, iter)
subroutine	td_write_oct_m::td_write_mxll_field (out_mxll, space, hm, dt, iter)
subroutine	td_write_oct_m::td_write_effective_u (out_coords, lda_u, iter)
subroutine	td_write_oct_m::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_oct_m::td_write_mxll_init (writ, namespace, iter, dt)
subroutine, public	td_write_oct_m::td_write_mxll_end (writ)
subroutine, public	td_write_oct_m::td_write_mxll_iter (writ, space, gr, st, hm, helmholtz, dt, iter, namespace)
subroutine	td_write_oct_m::td_write_maxwell_energy (out_maxwell_energy, hm, iter)
subroutine	td_write_oct_m::td_write_electric_field_box_surface (out_field_surf, st, dim, iter)
subroutine	td_write_oct_m::td_write_magnetic_field_box_surface (out_field_surf, st, dim, iter)
subroutine	td_write_oct_m::td_write_fields (out_fields, space, st, iter, dt, e_or_b_field, field_type, idir)
subroutine, public	td_write_oct_m::td_write_mxll_free_data (writ, namespace, space, gr, st, hm, helmholtz, outp, iter, time)

Variables
integer, parameter, public	td_write_oct_m::out_multipoles = 1
	Output mode unique identifiers. More...
integer, parameter, public	td_write_oct_m::out_angular = 2
integer, parameter, public	td_write_oct_m::out_spin = 3
integer, parameter, public	td_write_oct_m::out_populations = 4
integer, parameter, public	td_write_oct_m::out_coords = 5
integer, parameter, public	td_write_oct_m::out_acc = 6
integer, parameter, public	td_write_oct_m::out_laser = 7
integer, parameter, public	td_write_oct_m::out_energy = 8
integer, parameter, public	td_write_oct_m::out_proj = 9
integer, parameter, public	td_write_oct_m::out_magnets = 10
integer, parameter, public	td_write_oct_m::out_gauge_field = 11
integer, parameter, public	td_write_oct_m::out_temperature = 12
integer, parameter, public	td_write_oct_m::out_ftchd = 13
integer, parameter, public	td_write_oct_m::out_vel = 14
integer, parameter, public	td_write_oct_m::out_eigs = 15
integer, parameter, public	td_write_oct_m::out_ion_ch = 16
integer, parameter, public	td_write_oct_m::out_total_current = 17
integer, parameter, public	td_write_oct_m::out_partial_charges = 18
integer, parameter, public	td_write_oct_m::out_kp_proj = 19
integer, parameter, public	td_write_oct_m::out_floquet = 20
integer, parameter, public	td_write_oct_m::out_n_ex = 21
integer, parameter, public	td_write_oct_m::out_separate_coords = 22
integer, parameter, public	td_write_oct_m::out_separate_velocity = 23
integer, parameter, public	td_write_oct_m::out_separate_forces = 24
integer, parameter, public	td_write_oct_m::out_total_heat_current = 25
integer, parameter, public	td_write_oct_m::out_tot_m = 26
integer, parameter, public	td_write_oct_m::out_q = 27
integer, parameter, public	td_write_oct_m::out_mxll_field = 28
integer, parameter, public	td_write_oct_m::out_norm_ks = 29
integer, parameter, public	td_write_oct_m::out_max = 29
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"]
	File names of TD files that are initialised in a consistent way. More...
integer, parameter	td_write_oct_m::out_dftu_effective_u = 1
integer, parameter	td_write_oct_m::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	td_write_oct_m::out_maxwell_total_e_field = 1
integer, parameter	td_write_oct_m::out_maxwell_total_b_field = 4
integer, parameter	td_write_oct_m::out_maxwell_long_e_field = 7
integer, parameter	td_write_oct_m::out_maxwell_long_b_field = 10
integer, parameter	td_write_oct_m::out_maxwell_trans_e_field = 13
integer, parameter	td_write_oct_m::out_maxwell_trans_b_field = 16
integer, parameter	td_write_oct_m::out_maxwell_energy = 19
integer, parameter	td_write_oct_m::out_e_field_surface_x = 20
integer, parameter	td_write_oct_m::out_e_field_surface_y = 21
integer, parameter	td_write_oct_m::out_e_field_surface_z = 22
integer, parameter	td_write_oct_m::out_b_field_surface_x = 23
integer, parameter	td_write_oct_m::out_b_field_surface_y = 24
integer, parameter	td_write_oct_m::out_b_field_surface_z = 25
integer, parameter, public	td_write_oct_m::out_maxwell_max = 25
integer, parameter	td_write_oct_m::maxwell_total_field = 1
integer, parameter	td_write_oct_m::maxwell_long_field = 2
integer, parameter	td_write_oct_m::maxwell_trans_field = 3
integer, parameter	td_write_oct_m::maxwell_e_field = 1
integer, parameter	td_write_oct_m::maxwell_b_field = 2

Function/Subroutine Documentation

dipole_matrix_elements()

subroutine td_write_proj::dipole_matrix_elements ( integer, intent(in)  dir )

private

Definition at line 2491 of file td_write.F90.