spglib_f08 Module Reference

Interface for SPGLIB symmetry routines. More...

Functions/Subroutines
integer function, public	spg_get_symmetry (rotation, translation, max_size, lattice, position, types, num_atom, symprec)
	...
integer function, public	spg_get_multiplicity (lattice, position, types, num_atom, symprec)
	...
integer function, public	spg_get_international (symbol, lattice, position, types, num_atom, symprec)
	...
integer function, public	spg_get_schoenflies (symbol, lattice, position, types, num_atom, symprec)
	...
integer function, public	spg_get_pointgroup (symbol, trans_mat, rotations, num_rotations)
	...
integer function, public	spg_get_ir_reciprocal_mesh (grid_point, map, mesh, is_shift, is_time_reversal, lattice, position, types, num_atom, symprec)
	...
integer function, public	spg_get_major_version ()
	...
integer function, public	spg_get_minor_version ()
	...
integer function, public	spg_get_micro_version ()
	...

Detailed Description

Interface for SPGLIB symmetry routines.

History

Author

jgh

This is a stub for the Interface for SPGLIB symmetry routines

History

Author

jgh

Function/Subroutine Documentation

spg_get_symmetry()

integer function, public spglib_f08::spg_get_symmetry	(	integer, dimension(:, :, :), intent(inout)	rotation,
		real(kind=dp), dimension(:, :), intent(inout)	translation,
		integer, intent(in)	max_size,
		real(kind=dp), dimension(:, :), intent(in)	lattice,
		real(kind=dp), dimension(:, :), intent(in)	position,
		integer, dimension(:), intent(in)	types,
		integer, intent(in)	num_atom,
		real(kind=dp), intent(in)	symprec
	)

...

Parameters

rotation	...
translation	...
max_size	...
lattice	...
position	...
types	...
num_atom	...
symprec	...

Returns

...

Definition at line 145 of file spglib_f08.F.

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spg_get_multiplicity()

integer function, public spglib_f08::spg_get_multiplicity	(	real(kind=dp), dimension(:, :), intent(in)	lattice,
		real(kind=dp), dimension(:, :), intent(in)	position,
		integer, dimension(:), intent(in)	types,
		integer, intent(in)	num_atom,
		real(kind=dp), intent(in)	symprec
	)

...

Parameters

lattice	...
position	...
types	...
num_atom	...
symprec	...

Returns

...

Definition at line 176 of file spglib_f08.F.

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spg_get_international()

integer function, public spglib_f08::spg_get_international	(	character, dimension(11), intent(out)	symbol,
		real(kind=dp), dimension(:, :), intent(in)	lattice,
		real(kind=dp), dimension(:, :), intent(in)	position,
		integer, dimension(:), intent(in)	types,
		integer, intent(in)	num_atom,
		real(kind=dp), intent(in)	symprec
	)

...

Parameters

symbol	...
lattice	...
position	...
types	...
num_atom	...
symprec	...

Returns

...

Definition at line 201 of file spglib_f08.F.

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spg_get_schoenflies()

integer function, public spglib_f08::spg_get_schoenflies	(	character, dimension(7), intent(out)	symbol,
		real(kind=dp), dimension(:, :), intent(in)	lattice,
		real(kind=dp), dimension(:, :), intent(in)	position,
		integer, dimension(:), intent(in)	types,
		integer, intent(in)	num_atom,
		real(kind=dp), intent(in)	symprec
	)

...

Parameters

symbol	...
lattice	...
position	...
types	...
num_atom	...
symprec	...

Returns

...

Definition at line 229 of file spglib_f08.F.

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spg_get_pointgroup()

integer function, public spglib_f08::spg_get_pointgroup	(	character, dimension(6)	symbol,
		integer, dimension(:, :), intent(inout)	trans_mat,
		integer, dimension(:, :, :), intent(in)	rotations,
		integer, intent(in)	num_rotations
	)

...

Parameters

symbol	...
trans_mat	...
rotations	...
num_rotations	...

Returns

...

Definition at line 255 of file spglib_f08.F.

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spg_get_ir_reciprocal_mesh()

integer function, public spglib_f08::spg_get_ir_reciprocal_mesh	(	integer, dimension(:, :), intent(out)	grid_point,
		integer, dimension(:), intent(out)	map,
		integer, dimension(:), intent(in)	mesh,
		integer, dimension(:), intent(in)	is_shift,
		integer, intent(in)	is_time_reversal,
		real(kind=dp), dimension(:, :), intent(in)	lattice,
		real(kind=dp), dimension(:, :), intent(in)	position,
		integer, dimension(:), intent(in)	types,
		integer, intent(in)	num_atom,
		real(kind=dp), intent(in)	symprec
	)

...

Parameters

grid_point	...
map	...
mesh	...
is_shift	...
is_time_reversal	...
lattice	...
position	...
types	...
num_atom	...
symprec	...

Returns

...

Definition at line 283 of file spglib_f08.F.

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spg_get_major_version()

integer function, public spglib_f08::spg_get_major_version

...

Returns

...

Definition at line 313 of file spglib_f08.F.

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spg_get_minor_version()

integer function, public spglib_f08::spg_get_minor_version

...

Returns

...

Definition at line 323 of file spglib_f08.F.

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spg_get_micro_version()

integer function, public spglib_f08::spg_get_micro_version

...

Returns

...

Definition at line 333 of file spglib_f08.F.

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