hex_layout Module

Defining hexagonal unit-cells

Used by

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Variables

Type	Visibility	Attributes		Name		Initial
type(hex_orientation),	public,	parameter	::	armchair	=	hex_orientation(aq, ar, 0d0)
type(hex_orientation),	public,	parameter	::	zigzag	=	hex_orientation(zq, zr, 0.5d0)
real(kind=8),	private,	parameter, dimension(2)	::	aq	=	[3d0/2d0, sqrt(3d0)/2d0]
real(kind=8),	private,	parameter, dimension(2)	::	ar	=	[0d0, sqrt(3d0)]
real(kind=8),	private,	parameter, dimension(2)	::	zq	=	[sqrt(3d0), 0d0]
real(kind=8),	private,	parameter, dimension(2)	::	zr	=	[sqrt(3d0)/2d0, 3d0/2d0]

Derived Types

type, public :: hex_orientation

lattice-orientation data storage

Components

Type	Visibility	Attributes		Name		Initial
real(kind=8),	public,	dimension(2)	::	uq			1st unit-vector
real(kind=8),	public,	dimension(2)	::	ur			2nd unit-vector
real(kind=8),	public		::	angle			in units of 60°

Type-Bound Procedures

generic, public :: operator(==) => orientation_equality
procedure, private :: orientation_equality

type, public :: unit_cell

Wrapper type to define all about a honeycomb structure

Components

Type	Visibility	Attributes		Name		Initial
type(hex_orientation),	public		::	orientation			armchair or zigzag
real(kind=8),	public		::	size	=	1d0	lattice parameter
real(kind=8),	public,	dimension(2)	::	origin	=	[0d0, 0d0]

Type-Bound Procedures

procedure, public :: print => print_unit_cell	../../ call layout%print

Functions

private pure function orientation_equality(a, b) result(isequal)

Overload of == operator for hex_orientation type

Arguments

Type	Intent	Optional	Attributes		Name
class(hex_orientation),	intent(in)			::	a
class(hex_orientation),	intent(in)			::	b

Return Value logical

Subroutines

public impure elemental subroutine print_unit_cell(C, unit)

Pretty print of hex coordinates

Arguments

Type	Intent	Optional	Attributes		Name
class(unit_cell),	intent(in)			::	C
integer,	intent(in),	optional		::	unit	default = $stdout