spglib_f08::spglibdataset Type Reference

Detailed Description

Definition at line 43 of file spglib_f08.F90.

Private Attributes
integer(c_int)	spacegroup_number
integer(c_int)	hall_number
character(len=11)	international_symbol
character(len=17)	hall_symbol
character(len=6)	choice
real(c_double), dimension(3, 3)	transformation_matrix
real(c_double), dimension(3)	origin_shift
integer(c_int)	n_operations
integer(c_int), dimension(:, :, :), allocatable	rotations
real(c_double), dimension(:, :), allocatable	translations
integer(c_int)	n_atoms
integer(c_int), dimension(:), allocatable	wyckoffs
character(len=7), dimension(:), allocatable	site_symmetry_symbols
integer(c_int), dimension(:), allocatable	equivalent_atoms
integer(c_int), dimension(:), allocatable	crystallographic_orbits
real(c_double), dimension(3, 3)	primitive_lattice
integer(c_int), dimension(:), allocatable	mapping_to_primitive
integer(c_int)	n_std_atoms
real(c_double), dimension(3, 3)	std_lattice
integer(c_int), dimension(:), allocatable	std_types
real(c_double), dimension(:, :), allocatable	std_positions
real(c_double), dimension(3, 3)	std_rotation_matrix
integer(c_int), dimension(:), allocatable	std_mapping_to_primitive
character(len=6)	pointgroup_symbol
integer(kind(spglib_success))	spglib_error

Member Data Documentation

spacegroup_number

integer(c_int) spglib_f08::spglibdataset::spacegroup_number

private

Definition at line 44 of file spglib_f08.F90.

hall_number

integer(c_int) spglib_f08::spglibdataset::hall_number

private

Definition at line 45 of file spglib_f08.F90.

international_symbol

character(len=11) spglib_f08::spglibdataset::international_symbol

private

Definition at line 46 of file spglib_f08.F90.

hall_symbol

character(len=17) spglib_f08::spglibdataset::hall_symbol

private

Definition at line 47 of file spglib_f08.F90.

choice

character(len=6) spglib_f08::spglibdataset::choice

private

Definition at line 48 of file spglib_f08.F90.

transformation_matrix

real(c_double), dimension(3, 3) spglib_f08::spglibdataset::transformation_matrix

private

Definition at line 49 of file spglib_f08.F90.

origin_shift

real(c_double), dimension(3) spglib_f08::spglibdataset::origin_shift

private

Definition at line 50 of file spglib_f08.F90.

n_operations

integer(c_int) spglib_f08::spglibdataset::n_operations

private

Definition at line 51 of file spglib_f08.F90.

rotations

integer(c_int), dimension(:, :, :), allocatable spglib_f08::spglibdataset::rotations

private

Definition at line 52 of file spglib_f08.F90.

translations

real(c_double), dimension(:, :), allocatable spglib_f08::spglibdataset::translations

private

Definition at line 53 of file spglib_f08.F90.

n_atoms

integer(c_int) spglib_f08::spglibdataset::n_atoms

private

Definition at line 54 of file spglib_f08.F90.

wyckoffs

integer(c_int), dimension(:), allocatable spglib_f08::spglibdataset::wyckoffs

private

Definition at line 55 of file spglib_f08.F90.

site_symmetry_symbols

character(len=7), dimension(:), allocatable spglib_f08::spglibdataset::site_symmetry_symbols

private

Definition at line 56 of file spglib_f08.F90.

equivalent_atoms

integer(c_int), dimension(:), allocatable spglib_f08::spglibdataset::equivalent_atoms

private

Definition at line 57 of file spglib_f08.F90.

crystallographic_orbits

integer(c_int), dimension(:), allocatable spglib_f08::spglibdataset::crystallographic_orbits

private

Definition at line 58 of file spglib_f08.F90.

primitive_lattice

real(c_double), dimension(3, 3) spglib_f08::spglibdataset::primitive_lattice

private

Definition at line 59 of file spglib_f08.F90.

mapping_to_primitive

integer(c_int), dimension(:), allocatable spglib_f08::spglibdataset::mapping_to_primitive

private

Definition at line 60 of file spglib_f08.F90.

n_std_atoms

integer(c_int) spglib_f08::spglibdataset::n_std_atoms

private

Definition at line 61 of file spglib_f08.F90.

std_lattice

real(c_double), dimension(3, 3) spglib_f08::spglibdataset::std_lattice

private

Definition at line 62 of file spglib_f08.F90.

std_types

integer(c_int), dimension(:), allocatable spglib_f08::spglibdataset::std_types

private

Definition at line 63 of file spglib_f08.F90.

std_positions

real(c_double), dimension(:, :), allocatable spglib_f08::spglibdataset::std_positions

private

Definition at line 64 of file spglib_f08.F90.

std_rotation_matrix

real(c_double), dimension(3, 3) spglib_f08::spglibdataset::std_rotation_matrix

private

Definition at line 65 of file spglib_f08.F90.

std_mapping_to_primitive

integer(c_int), dimension(:), allocatable spglib_f08::spglibdataset::std_mapping_to_primitive

private

Definition at line 66 of file spglib_f08.F90.

pointgroup_symbol

character(len=6) spglib_f08::spglibdataset::pointgroup_symbol

private

Definition at line 67 of file spglib_f08.F90.

spglib_error

integer(kind(spglib_success)) spglib_f08::spglibdataset::spglib_error

private

Definition at line 68 of file spglib_f08.F90.

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The documentation for this type was generated from the following file:

• ions/spglib_f08.F90