Data Types
interface	jellium_charge_t

interface	jellium_slab_t

interface	jellium_sphere_t

type	jellium_t

interface	species_charge_density_t

interface	species_from_file_t

interface	species_user_defined_t

Functions/Subroutines
class(jellium_slab_t) function, pointer	jellium_slab_constructor (label, index)

subroutine	jellium_slab_finalize (this)

class(jellium_sphere_t) function, pointer	jellium_sphere_constructor (label, index)

subroutine	jellium_sphere_finalize (this)

class(jellium_charge_t) function, pointer	jellium_charge_constructor (label, index)

subroutine	jellium_charge_finalize (this)

class(species_from_file_t) function, pointer	species_from_file_constructor (label, index)

subroutine	species_from_file_finalize (this)

class(species_user_defined_t) function, pointer	species_user_defined_constructor (label, index)

subroutine	species_user_defined_finalize (this)

class(species_charge_density_t) function, pointer	species_charge_density_constructor (label, index)

subroutine	species_charge_density_finalize (this)

real(real64) pure function	jellium_get_omega (spec)

real(real64) pure function	jellium_radius (spec)

pure subroutine	jellium_set_radius (spec, radius)

real(real64) pure function	jellium_thick (spec)

pure subroutine	jellium_set_thickness (spec, thick)

character(len=200) pure function	jellium_rho_string (spec)

character(len=200) pure function	species_rho_string (spec)

complex(real64) function	jellium_userdef_pot (spec, dim, xx, r)

subroutine	jellium_iwf_fix_qn (spec, namespace, nspin, dim)
	set up quantum numbers of orbitals More...

real(real64) pure function	jellium_get_iwf_radius (spec, ii, is, threshold)
	Return radius outside which orbital is less than threshold value 0.001. More...

logical pure function	jellium_is_local (spec)

subroutine	jellium_init_potential (this, namespace, grid_cutoff, filter)
	Some operations like filtering of the potentials. More...

subroutine	jellium_debug (spec, dir, namespace, gmax)

subroutine	jellium_build (spec, namespace, ispin, dim, print_info)

logical pure function	jellium_user_defined (spec)
	Is the species user-defined or not. More...

real(real64) pure function	jellium_slab_density (slab, box_dim)
	Returns the electron density of a jellium slab. More...

Variables
integer, parameter, public	species_jellium = 3
	jellium sphere. More...

integer, parameter, public	species_jellium_slab = 4
	jellium slab. More...

integer, parameter, public	species_jellium_charge_density = 129
	jellium volume read from file More...

integer, parameter, public	species_usdef = 123
	user-defined function for local potential More...

integer, parameter, public	species_charge_density = 125
	user-defined function for charge density More...

integer, parameter, public	species_from_file = 126

Function/Subroutine Documentation

◆ jellium_slab_constructor()

class(jellium_slab_t) function, pointer jellium_oct_m::jellium_slab_constructor	(	character(len=*), intent(in)	label,
		integer, intent(in)	index
	)

private

Definition at line 250 of file jellium.F90.

◆ jellium_slab_finalize()

subroutine jellium_oct_m::jellium_slab_finalize ( type(jellium_slab_t), intent(inout) this )

private

Definition at line 268 of file jellium.F90.

◆ jellium_sphere_constructor()

class(jellium_sphere_t) function, pointer jellium_oct_m::jellium_sphere_constructor	(	character(len=*), intent(in)	label,
		integer, intent(in)	index
	)

private

Definition at line 279 of file jellium.F90.

◆ jellium_sphere_finalize()

subroutine jellium_oct_m::jellium_sphere_finalize ( type(jellium_sphere_t), intent(inout) this )

private

Definition at line 298 of file jellium.F90.

◆ jellium_charge_constructor()

class(jellium_charge_t) function, pointer jellium_oct_m::jellium_charge_constructor	(	character(len=*), intent(in)	label,
		integer, intent(in)	index
	)

private

Definition at line 309 of file jellium.F90.

◆ jellium_charge_finalize()

subroutine jellium_oct_m::jellium_charge_finalize ( type(jellium_charge_t), intent(inout) this )

private

Definition at line 328 of file jellium.F90.

◆ species_from_file_constructor()

class(species_from_file_t) function, pointer jellium_oct_m::species_from_file_constructor	(	character(len=*), intent(in)	label,
		integer, intent(in)	index
	)

private

Definition at line 340 of file jellium.F90.

◆ species_from_file_finalize()

subroutine jellium_oct_m::species_from_file_finalize ( type(species_from_file_t), intent(inout) this )

private

Definition at line 357 of file jellium.F90.

◆ species_user_defined_constructor()

class(species_user_defined_t) function, pointer jellium_oct_m::species_user_defined_constructor	(	character(len=*), intent(in)	label,
		integer, intent(in)	index
	)

private

Definition at line 369 of file jellium.F90.

◆ species_user_defined_finalize()

subroutine jellium_oct_m::species_user_defined_finalize ( type(species_user_defined_t), intent(inout) this )

private

Definition at line 388 of file jellium.F90.

◆ species_charge_density_constructor()

class(species_charge_density_t) function, pointer jellium_oct_m::species_charge_density_constructor	(	character(len=*), intent(in)	label,
		integer, intent(in)	index
	)

private

Definition at line 400 of file jellium.F90.

◆ species_charge_density_finalize()

subroutine jellium_oct_m::species_charge_density_finalize ( type(species_charge_density_t), intent(inout) this )

private

Definition at line 419 of file jellium.F90.

◆ jellium_get_omega()

real(real64) pure function jellium_oct_m::jellium_get_omega ( class(jellium_t), intent(in) spec )

private

Definition at line 430 of file jellium.F90.

◆ jellium_radius()

real(real64) pure function jellium_oct_m::jellium_radius ( class(jellium_sphere_t), intent(in) spec )

private

Definition at line 437 of file jellium.F90.

◆ jellium_set_radius()

pure subroutine jellium_oct_m::jellium_set_radius	(	class(jellium_sphere_t), intent(inout)	spec,
		real(real64), intent(in)	radius
	)

private

Definition at line 443 of file jellium.F90.

◆ jellium_thick()

real(real64) pure function jellium_oct_m::jellium_thick ( class(jellium_slab_t), intent(in) spec )

private

Definition at line 450 of file jellium.F90.

◆ jellium_set_thickness()

pure subroutine jellium_oct_m::jellium_set_thickness	(	class(jellium_slab_t), intent(inout)	spec,
		real(real64), intent(in)	thick
	)

private

Definition at line 456 of file jellium.F90.

◆ jellium_rho_string()

character(len=200) pure function jellium_oct_m::jellium_rho_string ( class(jellium_charge_t), intent(in) spec )

private

Definition at line 463 of file jellium.F90.

◆ species_rho_string()

character(len=200) pure function jellium_oct_m::species_rho_string ( class(species_charge_density_t), intent(in) spec )

private

Definition at line 469 of file jellium.F90.

◆ jellium_userdef_pot()

complex(real64) function jellium_oct_m::jellium_userdef_pot	(	class(species_user_defined_t), intent(in)	spec,
		integer, intent(in)	dim,
		real(real64), dimension(:), intent(in)	xx,
		real(real64), intent(in)	r
	)

private

Definition at line 476 of file jellium.F90.

◆ jellium_iwf_fix_qn()

subroutine jellium_oct_m::jellium_iwf_fix_qn	(	class(jellium_t), intent(inout)	spec,
		type(namespace_t), intent(in)	namespace,
		integer, intent(in)	nspin,
		integer, intent(in)	dim
	)

private

set up quantum numbers of orbitals

Definition at line 494 of file jellium.F90.

◆ jellium_get_iwf_radius()

real(real64) pure function jellium_oct_m::jellium_get_iwf_radius	(	class(jellium_t), intent(in)	spec,
		integer, intent(in)	ii,
		integer, intent(in)	is,
		real(real64), intent(in), optional	threshold
	)

private

Return radius outside which orbital is less than threshold value 0.001.

Parameters

[in]	ii	principal quantum number
[in]	is	spin component

Definition at line 627 of file jellium.F90.

◆ jellium_is_local()

logical pure function jellium_oct_m::jellium_is_local ( class(jellium_t), intent(in) spec )

private

Definition at line 646 of file jellium.F90.

◆ jellium_init_potential()

subroutine jellium_oct_m::jellium_init_potential	(	class(jellium_t), intent(inout)	this,
		type(namespace_t), intent(in)	namespace,
		real(real64), intent(in)	grid_cutoff,
		integer, intent(in)	filter
	)

private

Some operations like filtering of the potentials.

Definition at line 655 of file jellium.F90.

◆ jellium_debug()

subroutine jellium_oct_m::jellium_debug	(	class(jellium_t), intent(in)	spec,
		character(len=*), intent(in)	dir,
		type(namespace_t), intent(in)	namespace,
		real(real64), intent(in)	gmax
	)

private

Definition at line 668 of file jellium.F90.

◆ jellium_build()

subroutine jellium_oct_m::jellium_build	(	class(jellium_t), intent(inout)	spec,
		type(namespace_t), intent(in)	namespace,
		integer, intent(in)	ispin,
		integer, intent(in)	dim,
		logical, intent(in), optional	print_info
	)

private

Definition at line 720 of file jellium.F90.

◆ jellium_user_defined()

logical pure function jellium_oct_m::jellium_user_defined ( class(jellium_t), intent(in) spec )

private

Is the species user-defined or not.

Definition at line 838 of file jellium.F90.

◆ jellium_slab_density()

real(real64) pure function jellium_oct_m::jellium_slab_density	(	class (jellium_slab_t), intent(in)	slab,
		real(real64), dimension(:), intent(in)	box_dim
	)

private

Returns the electron density of a jellium slab.

Definition at line 856 of file jellium.F90.

Variable Documentation

◆ species_jellium

integer, parameter, public jellium_oct_m::species_jellium = 3

jellium sphere.

Definition at line 139 of file jellium.F90.

◆ species_jellium_slab

integer, parameter, public jellium_oct_m::species_jellium_slab = 4

jellium slab.

Definition at line 139 of file jellium.F90.

◆ species_jellium_charge_density

integer, parameter, public jellium_oct_m::species_jellium_charge_density = 129

jellium volume read from file

Definition at line 139 of file jellium.F90.

◆ species_usdef

integer, parameter, public jellium_oct_m::species_usdef = 123

user-defined function for local potential

Definition at line 139 of file jellium.F90.

◆ species_charge_density

integer, parameter, public jellium_oct_m::species_charge_density = 125

user-defined function for charge density

Definition at line 139 of file jellium.F90.

◆ species_from_file

integer, parameter, public jellium_oct_m::species_from_file = 126

Definition at line 139 of file jellium.F90.

Data Types

Functions/Subroutines

Variables

Function/Subroutine Documentation

◆ jellium_slab_constructor()

◆ jellium_slab_finalize()

◆ jellium_sphere_constructor()

◆ jellium_sphere_finalize()

◆ jellium_charge_constructor()

◆ jellium_charge_finalize()

◆ species_from_file_constructor()

◆ species_from_file_finalize()

◆ species_user_defined_constructor()

◆ species_user_defined_finalize()

◆ species_charge_density_constructor()

◆ species_charge_density_finalize()

◆ jellium_get_omega()

◆ jellium_radius()

◆ jellium_set_radius()

◆ jellium_thick()

◆ jellium_set_thickness()

◆ jellium_rho_string()

◆ species_rho_string()

◆ jellium_userdef_pot()

◆ jellium_iwf_fix_qn()

◆ jellium_get_iwf_radius()

◆ jellium_is_local()

◆ jellium_init_potential()

◆ jellium_debug()

◆ jellium_build()

◆ jellium_user_defined()

◆ jellium_slab_density()

Variable Documentation

◆ species_jellium

◆ species_jellium_slab

◆ species_jellium_charge_density

◆ species_usdef

◆ species_charge_density

◆ species_from_file