td.F90 File Reference

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Modules
module	td_oct_m

Data Types
type	td_oct_m::td_t

Functions/Subroutines
subroutine, public	td_oct_m::td_run_init ()
subroutine, public	td_oct_m::td_init (td, namespace, space, gr, ions, st, ks, hm, ext_partners, outp)
subroutine, public	td_oct_m::td_init_run (td, namespace, mc, gr, ions, st, ks, hm, ext_partners, outp, space, from_scratch)
subroutine, public	td_oct_m::td_allocate_wavefunctions (td, namespace, mc, gr, ions, st, hm, space)
subroutine, public	td_oct_m::td_init_gaugefield (td, namespace, gr, st, ks, hm, ext_partners, space)
subroutine, public	td_oct_m::td_end (td)
subroutine, public	td_oct_m::td_end_run (td, st, hm)
subroutine, public	td_oct_m::td_run (td, namespace, mc, gr, ions, st, ks, hm, ext_partners, outp, space, from_scratch)
subroutine	td_oct_m::td_print_header (namespace)
subroutine, public	td_oct_m::td_check_point (td, namespace, mc, gr, ions, st, ks, hm, ext_partners, outp, space, iter, scsteps, etime, stopping, from_scratch)
subroutine	td_oct_m::td_print_message (td, namespace, ions, hm, iter, scsteps, etime)
subroutine	td_oct_m::td_update_elapsed_time (etime)
subroutine, public	td_oct_m::td_init_with_wavefunctions (td, namespace, space, mc, gr, ions, ext_partners, st, ks, hm, outp, from_scratch)
subroutine	td_oct_m::td_init_ions_and_forces (td, namespace, space, gr, ions, ext_partners, st, ks, hm, outp)
subroutine, public	td_oct_m::td_load_restart_from_td (td, namespace, space, mc, gr, ext_partners, st, ks, hm, from_scratch)
subroutine, public	td_oct_m::td_load_restart_from_gs (td, namespace, space, mc, gr, ext_partners, st, ks, hm)
subroutine	td_oct_m::td_run_zero_iter (td, namespace, space, gr, ions, st, ks, hm, ext_partners, outp, mc)
subroutine	td_oct_m::td_read_coordinates (td, namespace, ions)
	reads the pos and vel from coordinates file More...
subroutine, public	td_oct_m::td_dump (td, namespace, space, gr, st, hm, ks, ext_partners, iter, ierr)
subroutine	td_oct_m::td_load (restart, namespace, space, gr, st, hm, ext_partners, td, ks, ierr)
subroutine	td_oct_m::td_load_frozen (namespace, restart, space, mesh, st, hm, ierr)
logical function, public	td_oct_m::td_get_from_scratch (td)
subroutine, public	td_oct_m::td_set_from_scratch (td, from_scratch)

Variables
integer, parameter, public	td_oct_m::ehrenfest = 1
	Parameters. More...
integer, parameter, public	td_oct_m::bo = 2