scf_tol_oct_m Module Reference

Data Types
type	scf_tol_t

Functions/Subroutines
subroutine, public	scf_tol_init (this, namespace, qtot, def_maximumiter, tol_scheme)
real(real64) function, public	scf_tol_step (this, iter, scf_res)
subroutine, public	scf_tol_stop (this)
subroutine, public	scf_tol_end (this)
real(real64) function, public	scf_tol_final (this)
subroutine, public	scf_tol_obsolete_variables (namespace, old_prefix, new_prefix)

Variables
integer, parameter, public	scf_tol_fixed = 0
integer, parameter, public	scf_tol_adaptive = 1
integer, parameter, public	scf_tol_linear = 2
integer, parameter, public	scf_tol_exp = 3

Function/Subroutine Documentation

scf_tol_init()

subroutine, public scf_tol_oct_m::scf_tol_init	(	type(scf_tol_t), intent(out)	this,
		type(namespace_t), intent(in)	namespace,
		real(real64), intent(in)	qtot,
		integer, intent(in), optional	def_maximumiter,
		integer, intent(in), optional	tol_scheme
	)

Definition at line 159 of file scf_tol.F90.

scf_tol_step()

real(real64) function, public scf_tol_oct_m::scf_tol_step	(	type(scf_tol_t), intent(inout)	this,
		integer, intent(in)	iter,
		real(real64), intent(in)	scf_res
	)

Definition at line 307 of file scf_tol.F90.

scf_tol_stop()

subroutine, public scf_tol_oct_m::scf_tol_stop

(

type(scf_tol_t), intent(inout)

this

)

Definition at line 353 of file scf_tol.F90.

scf_tol_end()

subroutine, public scf_tol_oct_m::scf_tol_end

(

type(scf_tol_t), intent(inout)

this

)

Definition at line 364 of file scf_tol.F90.

scf_tol_final()

real(real64) function, public scf_tol_oct_m::scf_tol_final

(

type(scf_tol_t), intent(in)

this

)

Definition at line 375 of file scf_tol.F90.

scf_tol_obsolete_variables()

subroutine, public scf_tol_oct_m::scf_tol_obsolete_variables	(	type(namespace_t), intent(in)	namespace,
		character(len=*), intent(in)	old_prefix,
		character(len=*), intent(in)	new_prefix
	)

Definition at line 384 of file scf_tol.F90.

Variable Documentation

scf_tol_fixed

integer, parameter, public scf_tol_oct_m::scf_tol_fixed = 0

Definition at line 127 of file scf_tol.F90.

scf_tol_adaptive

integer, parameter, public scf_tol_oct_m::scf_tol_adaptive = 1

Definition at line 127 of file scf_tol.F90.

scf_tol_linear

integer, parameter, public scf_tol_oct_m::scf_tol_linear = 2

Definition at line 127 of file scf_tol.F90.

scf_tol_exp

integer, parameter, public scf_tol_oct_m::scf_tol_exp = 3

Definition at line 127 of file scf_tol.F90.