symmetries_oct_m Module Reference

Data Types
interface	symmetries_finite_end
interface	symmetries_finite_get_group_elements
interface	symmetries_finite_get_group_name
interface	symmetries_finite_init
	NOTE: unfortunately, these routines use global variables shared among them. More...
interface	symmetries_t

Functions/Subroutines
type(symmetries_t) function	symmetries_constructor (namespace, space, latt, n_sites, site_pos, site_type, spherical_site)
subroutine	symmetries_copy (lhs, rhs)
subroutine	symmetries_finalizer (this)
integer pure function, public	symmetries_number (this)
subroutine, public	symmetries_apply_kpoint_red (this, iop, aa, bb)
integer pure function, public	symmetries_space_group_number (this)
logical pure function, public	symmetries_have_break_dir (this)
integer pure function, public	symmetries_identity_index (this)
subroutine, public	symmetries_write_info (this, space, iunit, namespace)
subroutine, public	symmetries_update_lattice_vectors (this, latt, dim)
	Updates the symmetry operations when lattice vectors are updated. More...

Variables
real(real64), parameter, public	default_symprec = 1.e-5_real64
real(real64), public	symprec

Function/Subroutine Documentation

symmetries_constructor()

type(symmetries_t) function symmetries_oct_m::symmetries_constructor ( type(namespace_t), intent(in)  namespace, class(space_t), intent(in)  space, type(lattice_vectors_t), intent(in)  latt, integer, intent(in)  n_sites, real(real64), dimension(:,:), intent(in)  site_pos, integer, dimension(1:n_sites), intent(in)  site_type, logical, dimension(:), intent(in)  spherical_site  )

private

Definition at line 201 of file symmetries.F90.

symmetries_copy()

subroutine symmetries_oct_m::symmetries_copy ( class(symmetries_t), intent(out)  lhs, class(symmetries_t), intent(in)  rhs  )

private

Definition at line 509 of file symmetries.F90.

symmetries_finalizer()

subroutine symmetries_oct_m::symmetries_finalizer ( type(symmetries_t), intent(inout)  this )

private

Definition at line 542 of file symmetries.F90.

symmetries_number()

integer pure function, public symmetries_oct_m::symmetries_number

(

type(symmetries_t), intent(in)

this

)

Definition at line 555 of file symmetries.F90.

symmetries_apply_kpoint_red()

subroutine, public symmetries_oct_m::symmetries_apply_kpoint_red	(	type(symmetries_t), intent(in)	this,
		integer, intent(in)	iop,
		real(real64), dimension(1:3), intent(in)	aa,
		real(real64), dimension(1:3), intent(out)	bb
	)

Definition at line 563 of file symmetries.F90.

symmetries_space_group_number()

integer pure function, public symmetries_oct_m::symmetries_space_group_number

(

type(symmetries_t), intent(in)

this

)

Definition at line 585 of file symmetries.F90.

symmetries_have_break_dir()

logical pure function, public symmetries_oct_m::symmetries_have_break_dir

(

type(symmetries_t), intent(in)

this

)

Definition at line 593 of file symmetries.F90.

symmetries_identity_index()

integer pure function, public symmetries_oct_m::symmetries_identity_index

(

type(symmetries_t), intent(in)

this

)

Definition at line 601 of file symmetries.F90.

symmetries_write_info()

subroutine, public symmetries_oct_m::symmetries_write_info	(	type(symmetries_t), intent(in)	this,
		class(space_t), intent(in)	space,
		integer, intent(in), optional	iunit,
		type(namespace_t), intent(in), optional	namespace
	)

Definition at line 616 of file symmetries.F90.

symmetries_update_lattice_vectors()

subroutine, public symmetries_oct_m::symmetries_update_lattice_vectors	(	type(symmetries_t), intent(inout)	this,
		type(lattice_vectors_t), intent(in)	latt,
		integer, intent(in)	dim
	)

Updates the symmetry operations when lattice vectors are updated.

Definition at line 690 of file symmetries.F90.

Variable Documentation

default_symprec

real(real64), parameter, public symmetries_oct_m::default_symprec = 1.e-5_real64

Definition at line 167 of file symmetries.F90.

symprec

real(real64), public symmetries_oct_m::symprec

Definition at line 168 of file symmetries.F90.