Data Types
type	scf_oct_m::scf_t
	some variables used for the SCF cycle More...

Functions/Subroutines
subroutine, public	scf_oct_m::scf_init (scf, namespace, gr, ions, st, mc, hm, space)

subroutine, public	scf_oct_m::scf_end (scf)

subroutine, public	scf_oct_m::scf_mix_clear (scf)

subroutine, public	scf_oct_m::scf_run (scf, namespace, space, mc, gr, ions, ext_partners, st, ks, hm, outp, verbosity, iters_done, restart_load, restart_dump)

subroutine	scf_write_iter (namespace)

subroutine	scf_write_static (dir, fname)

subroutine	write_dipole (dipole, iunit, namespace)

subroutine	create_convergence_file (dir, fname)

subroutine	write_convergence_file (dir, fname)

subroutine, public	scf_oct_m::scf_state_info (namespace, st)

subroutine, public	scf_oct_m::scf_print_mem_use (namespace)

subroutine	scf_oct_m::scf_update_initial_quantity (scf, hm, criterion)
	Update the quantity at the begining of a SCF cycle. More...

subroutine	scf_oct_m::scf_update_diff_quantity (scf, hm, st, gr, rhoout, rhoin, criterion)
	Update the quantity at the begining of a SCF cycle. More...

Function/Subroutine Documentation

◆ scf_write_iter()

subroutine scf_run::scf_write_iter ( type(namespace_t), intent(in) namespace )

private

Definition at line 1101 of file scf.F90.

subroutine scf_run::scf_write_static	(	character(len=*), intent(in)	dir,
		character(len=*), intent(in)	fname
	)

private

Definition at line 1168 of file scf.F90.

subroutine scf_run::write_dipole	(	real(real64), dimension(:), intent(in)	dipole,
		integer, intent(in), optional	iunit,
		type(namespace_t), intent(in), optional	namespace
	)

private

Definition at line 1316 of file scf.F90.

subroutine scf_run::create_convergence_file	(	character(len=*), intent(in)	dir,
		character(len=*), intent(in)	fname
	)

private

Definition at line 1352 of file scf.F90.

subroutine scf_run::write_convergence_file	(	character(len=*), intent(in)	dir,
		character(len=*), intent(in)	fname
	)

private

Definition at line 1387 of file scf.F90.