atom_oct_m Module Reference

Data Types
interface	atom_same_species
type	atom_t

Functions/Subroutines
subroutine, public	atom_init (this, dim, label, species)
subroutine	atom_copy (atom_out, atom_in)
impure elemental subroutine	atom_finalize (this)
pure character(len=len_trim(adjustl(this%label))) function	atom_get_label (this)
	Getter for label attribute. More...
subroutine, public	atom_set_species (this, species)
subroutine, public	atom_get_species (this, species)
elemental logical function	atom_same_species_aa (this, that)
elemental logical function	atom_same_species_as (this, species)
pure logical function, public	all_species_are_jellium_slab (atom)
	Check if all species are jellium slab. More...
pure logical function, public	any_species_is_jellium_sphere (atom)
	Check if any species is a jellium sphere. More...

Function/Subroutine Documentation

atom_init()

subroutine, public atom_oct_m::atom_init	(	type(atom_t), intent(out)	this,
		integer, intent(in)	dim,
		character(len=*), intent(in)	label,
		class(species_t), intent(in), optional, target	species
	)

Definition at line 150 of file atom.F90.

atom_copy()

subroutine atom_oct_m::atom_copy ( class(atom_t), intent(out)  atom_out, class(atom_t), intent(in)  atom_in  )

private

Definition at line 188 of file atom.F90.

atom_finalize()

impure elemental subroutine atom_oct_m::atom_finalize ( type(atom_t), intent(inout)  this )

private

Definition at line 212 of file atom.F90.

atom_get_label()

pure character(len=len_trim(adjustl(this%label))) function atom_oct_m::atom_get_label ( class(atom_t), intent(in)  this )

private

Getter for label attribute.

Definition at line 238 of file atom.F90.

atom_set_species()

subroutine, public atom_oct_m::atom_set_species	(	type(atom_t), intent(inout)	this,
		class(species_t), intent(in), target	species
	)

Definition at line 248 of file atom.F90.

atom_get_species()

subroutine, public atom_oct_m::atom_get_species	(	type(atom_t), intent(in), target	this,
		class(species_t), intent(out), pointer	species
	)

Definition at line 260 of file atom.F90.

atom_same_species_aa()

elemental logical function atom_oct_m::atom_same_species_aa ( type(atom_t), intent(in)  this, type(atom_t), intent(in)  that  )

private

Definition at line 272 of file atom.F90.

atom_same_species_as()

elemental logical function atom_oct_m::atom_same_species_as ( type(atom_t), intent(in)  this, class(species_t), intent(in)  species  )

private

Definition at line 283 of file atom.F90.

all_species_are_jellium_slab()

pure logical function, public atom_oct_m::all_species_are_jellium_slab

(

type(atom_t), dimension(:), intent(in)

atom

)

Check if all species are jellium slab.

Definition at line 294 of file atom.F90.

any_species_is_jellium_sphere()

pure logical function, public atom_oct_m::any_species_is_jellium_sphere

(

type(atom_t), dimension(:), intent(in)

atom

)

Check if any species is a jellium sphere.

Definition at line 311 of file atom.F90.