symm_op_oct_m Module Reference

Data Types
interface	symm_op_apply_cart
interface	symm_op_apply_inv_cart
interface	symm_op_apply_inv_red
interface	symm_op_apply_red
interface	symm_op_apply_transpose_red
interface	symm_op_invariant_cart
interface	symm_op_invariant_red
type	symm_op_t

Functions/Subroutines
subroutine, public	symm_op_init (this, rot, latt, dim, trans)
subroutine, public	symm_op_build_cartesian (this, latt, dim)
	Computes the Cartesian rotation matrix and translation vectors from the reduced ones. More...
subroutine, public	symm_op_copy (inp, outp)
logical pure function, public	symm_op_has_translation (this, prec)
integer function, dimension(1:this%dim, 1:this%dim), public	symm_op_rotation_matrix_red (this)
real(real64) function, dimension(1:this%dim, 1:this%dim), public	symm_op_rotation_matrix_cart (this)
real(real64) function, dimension(1:this%dim), public	symm_op_translation_vector_red (this)
real(real64) function, dimension(1:this%dim), public	symm_op_translation_vector_cart (this)
logical pure function, public	symm_op_is_identity (this)
pure integer function, dimension(1:this%dim)	isymm_op_apply_red (this, aa)
integer function, dimension(1:this%dim)	isymm_op_apply_inv_red (this, aa)
pure real(real64) function, dimension(1:this%dim)	dsymm_op_apply_red (this, aa)
pure real(real64) function, dimension(1:this%dim)	dsymm_op_apply_inv_red (this, aa)
pure real(real64) function, dimension(1:this%dim)	dsymm_op_apply_transpose_red (this, aa)
pure real(real64) function, dimension(1:this%dim)	dsymm_op_apply_cart (this, aa)
pure real(real64) function, dimension(1:this%dim)	dsymm_op_apply_inv_cart (this, aa, rotation_only)
logical pure function	dsymm_op_invariant_cart (this, aa, prec)
logical pure function	dsymm_op_invariant_red (this, aa, prec)
pure complex(real64) function, dimension(1:this%dim)	zsymm_op_apply_red (this, aa)
pure complex(real64) function, dimension(1:this%dim)	zsymm_op_apply_inv_red (this, aa)
pure complex(real64) function, dimension(1:this%dim)	zsymm_op_apply_transpose_red (this, aa)
pure complex(real64) function, dimension(1:this%dim)	zsymm_op_apply_cart (this, aa)
pure complex(real64) function, dimension(1:this%dim)	zsymm_op_apply_inv_cart (this, aa, rotation_only)
logical pure function	zsymm_op_invariant_cart (this, aa, prec)
logical pure function	zsymm_op_invariant_red (this, aa, prec)

Variables
real(real64), parameter, public	tol_translation = 1e-7_real64
real(real64), parameter	tol_identity = 5.0e-6_real64

Function/Subroutine Documentation

symm_op_init()

subroutine, public symm_op_oct_m::symm_op_init	(	type(symm_op_t), intent(out)	this,
		integer, dimension(:, :), intent(in)	rot,
		type(lattice_vectors_t), intent(in)	latt,
		integer, intent(in)	dim,
		real(real64), dimension(:), intent(in), optional	trans
	)

Definition at line 189 of file symm_op.F90.

symm_op_build_cartesian()

subroutine, public symm_op_oct_m::symm_op_build_cartesian	(	type(symm_op_t), intent(inout)	this,
		type(lattice_vectors_t), intent(in)	latt,
		integer, intent(in)	dim
	)

Computes the Cartesian rotation matrix and translation vectors from the reduced ones.

Definition at line 238 of file symm_op.F90.

symm_op_copy()

subroutine, public symm_op_oct_m::symm_op_copy	(	type(symm_op_t), intent(in)	inp,
		type(symm_op_t), intent(out)	outp
	)

Definition at line 275 of file symm_op.F90.

symm_op_has_translation()

logical pure function, public symm_op_oct_m::symm_op_has_translation	(	type(symm_op_t), intent(in)	this,
		real(real64), intent(in)	prec
	)

Definition at line 292 of file symm_op.F90.

symm_op_rotation_matrix_red()

integer function, dimension(1:this%dim, 1:this%dim), public symm_op_oct_m::symm_op_rotation_matrix_red

(

type(symm_op_t), intent(in)

this

)

Definition at line 302 of file symm_op.F90.

symm_op_rotation_matrix_cart()

real(real64) function, dimension(1:this%dim, 1:this%dim), public symm_op_oct_m::symm_op_rotation_matrix_cart

(

type(symm_op_t), intent(in)

this

)

Definition at line 312 of file symm_op.F90.

symm_op_translation_vector_red()

real(real64) function, dimension(1:this%dim), public symm_op_oct_m::symm_op_translation_vector_red

(

type(symm_op_t), intent(in)

this

)

Definition at line 323 of file symm_op.F90.

symm_op_translation_vector_cart()

real(real64) function, dimension(1:this%dim), public symm_op_oct_m::symm_op_translation_vector_cart

(

type(symm_op_t), intent(in)

this

)

Definition at line 333 of file symm_op.F90.

symm_op_is_identity()

logical pure function, public symm_op_oct_m::symm_op_is_identity

(

type(symm_op_t), intent(in)

this

)

Definition at line 343 of file symm_op.F90.

isymm_op_apply_red()

pure integer function, dimension(1:this%dim) symm_op_oct_m::isymm_op_apply_red ( type(symm_op_t), intent(in)  this, integer, dimension(:), intent(in)  aa  )

private

Parameters

[in]

aa

(3)

Definition at line 356 of file symm_op.F90.

isymm_op_apply_inv_red()

integer function, dimension(1:this%dim) symm_op_oct_m::isymm_op_apply_inv_red ( type(symm_op_t), intent(in)  this, integer, dimension(:), intent(in)  aa  )

private

Parameters

[in]

aa

(3)

Definition at line 367 of file symm_op.F90.

dsymm_op_apply_red()

pure real(real64) function, dimension(1:this%dim) symm_op_oct_m::dsymm_op_apply_red ( type(symm_op_t), intent(in)  this, real(real64), dimension(:), intent(in)  aa  )

private

Parameters

[in]

aa

(thisdim)

Definition at line 444 of file symm_op.F90.

dsymm_op_apply_inv_red()

pure real(real64) function, dimension(1:this%dim) symm_op_oct_m::dsymm_op_apply_inv_red ( type(symm_op_t), intent(in)  this, real(real64), dimension(:), intent(in)  aa  )

private

Parameters

[in]

aa

(thisdim)

Definition at line 455 of file symm_op.F90.

dsymm_op_apply_transpose_red()

pure real(real64) function, dimension(1:this%dim) symm_op_oct_m::dsymm_op_apply_transpose_red ( type(symm_op_t), intent(in)  this, real(real64), dimension(:), intent(in)  aa  )

private

Parameters

[in]

aa

(thisdim)

Definition at line 467 of file symm_op.F90.

dsymm_op_apply_cart()

pure real(real64) function, dimension(1:this%dim) symm_op_oct_m::dsymm_op_apply_cart ( type(symm_op_t), intent(in)  this, real(real64), dimension(:), intent(in)  aa  )

private

Parameters

[in]

aa

(thisdim)

Definition at line 478 of file symm_op.F90.

dsymm_op_apply_inv_cart()

pure real(real64) function, dimension(1:this%dim) symm_op_oct_m::dsymm_op_apply_inv_cart ( type(symm_op_t), intent(in)  this, real(real64), dimension(:), intent(in)  aa, logical, intent(in), optional  rotation_only  )

private

Parameters

[in]

aa

(thisdim)

Definition at line 489 of file symm_op.F90.

dsymm_op_invariant_cart()

logical pure function symm_op_oct_m::dsymm_op_invariant_cart ( type(symm_op_t), intent(in)  this, real(real64), dimension(:), intent(in)  aa, real(real64), intent(in)  prec  )

private

Definition at line 505 of file symm_op.F90.

dsymm_op_invariant_red()

logical pure function symm_op_oct_m::dsymm_op_invariant_red ( type(symm_op_t), intent(in)  this, real(real64), dimension(:), intent(in)  aa, real(real64), intent(in)  prec  )

private

Definition at line 518 of file symm_op.F90.

zsymm_op_apply_red()

pure complex(real64) function, dimension(1:this%dim) symm_op_oct_m::zsymm_op_apply_red ( type(symm_op_t), intent(in)  this, complex(real64), dimension(:), intent(in)  aa  )

private

Parameters

[in]

aa

(thisdim)

Definition at line 604 of file symm_op.F90.

zsymm_op_apply_inv_red()

pure complex(real64) function, dimension(1:this%dim) symm_op_oct_m::zsymm_op_apply_inv_red ( type(symm_op_t), intent(in)  this, complex(real64), dimension(:), intent(in)  aa  )

private

Parameters

[in]

aa

(thisdim)

Definition at line 615 of file symm_op.F90.

zsymm_op_apply_transpose_red()

pure complex(real64) function, dimension(1:this%dim) symm_op_oct_m::zsymm_op_apply_transpose_red ( type(symm_op_t), intent(in)  this, complex(real64), dimension(:), intent(in)  aa  )

private

Parameters

[in]

aa

(thisdim)

Definition at line 627 of file symm_op.F90.

zsymm_op_apply_cart()

pure complex(real64) function, dimension(1:this%dim) symm_op_oct_m::zsymm_op_apply_cart ( type(symm_op_t), intent(in)  this, complex(real64), dimension(:), intent(in)  aa  )

private

Parameters

[in]

aa

(thisdim)

Definition at line 638 of file symm_op.F90.

zsymm_op_apply_inv_cart()

pure complex(real64) function, dimension(1:this%dim) symm_op_oct_m::zsymm_op_apply_inv_cart ( type(symm_op_t), intent(in)  this, complex(real64), dimension(:), intent(in)  aa, logical, intent(in), optional  rotation_only  )

private

Parameters

[in]

aa

(thisdim)

Definition at line 649 of file symm_op.F90.

zsymm_op_invariant_cart()

logical pure function symm_op_oct_m::zsymm_op_invariant_cart ( type(symm_op_t), intent(in)  this, complex(real64), dimension(:), intent(in)  aa, real(real64), intent(in)  prec  )

private

Definition at line 665 of file symm_op.F90.

zsymm_op_invariant_red()

logical pure function symm_op_oct_m::zsymm_op_invariant_red ( type(symm_op_t), intent(in)  this, complex(real64), dimension(:), intent(in)  aa, real(real64), intent(in)  prec  )

private

Definition at line 678 of file symm_op.F90.

Variable Documentation

tol_translation

real(real64), parameter, public symm_op_oct_m::tol_translation = 1e-7_real64

Definition at line 183 of file symm_op.F90.

tol_identity

real(real64), parameter symm_op_oct_m::tol_identity = 5.0e-6_real64

private

Definition at line 184 of file symm_op.F90.