Data Fields
logical	keep_space_group = .FALSE.

logical	symlib = .FALSE.

logical	print_atoms = .FALSE.

integer	iunit = -1

integer	istriz = -1

real(kind=dp)	eps_symmetry = 1.0e-4_dp

integer	nparticle = 0

integer	nparticle_sym = 0

integer	n_atom = 0

integer	n_core = 0

integer	n_shell = 0

integer	n_atom_sym = 0

integer	n_core_sym = 0

integer	n_shell_sym = 0

integer, dimension(:), allocatable	atype

integer, dimension(:, :), allocatable	eqatom

logical, dimension(:), allocatable	lop

logical, dimension(:), allocatable	lat

real(kind=dp), dimension(3)	pol = 0.0_dp

integer	space_group_number = 0

character(len=11)	international_symbol = ""

character(len=6)	pointgroup_symbol = ""

character(len=7)	schoenflies = ""

integer	n_operations = 0

integer	n_reduced_operations = 0

integer	n_operations_subset = 0

integer, dimension(:, :, :), allocatable	rotations

integer, dimension(:, :, :), allocatable	rotations_subset

real(kind=dp), dimension(:, :), allocatable	translations

type(cell_type), pointer	cell_ref => NULL()

Detailed Description

Definition at line 27 of file space_groups_types.F.

Field Documentation

◆ keep_space_group

logical space_groups_types::spgr_type::keep_space_group = .FALSE.

Definition at line 28 of file space_groups_types.F.

◆ symlib

logical space_groups_types::spgr_type::symlib = .FALSE.

Definition at line 29 of file space_groups_types.F.

◆ print_atoms

logical space_groups_types::spgr_type::print_atoms = .FALSE.

Definition at line 30 of file space_groups_types.F.

◆ iunit

integer space_groups_types::spgr_type::iunit = -1

Definition at line 31 of file space_groups_types.F.

◆ istriz

integer space_groups_types::spgr_type::istriz = -1

Definition at line 32 of file space_groups_types.F.

◆ eps_symmetry

real(kind=dp) space_groups_types::spgr_type::eps_symmetry = 1.0e-4_dp

Definition at line 33 of file space_groups_types.F.

◆ nparticle

integer space_groups_types::spgr_type::nparticle = 0

Definition at line 34 of file space_groups_types.F.

◆ nparticle_sym

integer space_groups_types::spgr_type::nparticle_sym = 0

Definition at line 35 of file space_groups_types.F.

◆ n_atom

integer space_groups_types::spgr_type::n_atom = 0

Definition at line 36 of file space_groups_types.F.

◆ n_core

integer space_groups_types::spgr_type::n_core = 0

Definition at line 37 of file space_groups_types.F.

◆ n_shell

integer space_groups_types::spgr_type::n_shell = 0

Definition at line 38 of file space_groups_types.F.

◆ n_atom_sym

integer space_groups_types::spgr_type::n_atom_sym = 0

Definition at line 39 of file space_groups_types.F.

◆ n_core_sym

integer space_groups_types::spgr_type::n_core_sym = 0

Definition at line 40 of file space_groups_types.F.

◆ n_shell_sym

integer space_groups_types::spgr_type::n_shell_sym = 0

Definition at line 41 of file space_groups_types.F.

◆ atype

integer, dimension(:), allocatable space_groups_types::spgr_type::atype

Definition at line 42 of file space_groups_types.F.

◆ eqatom

integer, dimension(:, :), allocatable space_groups_types::spgr_type::eqatom

Definition at line 43 of file space_groups_types.F.

◆ lop

logical, dimension(:), allocatable space_groups_types::spgr_type::lop

Definition at line 44 of file space_groups_types.F.

◆ lat

logical, dimension(:), allocatable space_groups_types::spgr_type::lat

Definition at line 44 of file space_groups_types.F.

◆ pol

real(kind=dp), dimension(3) space_groups_types::spgr_type::pol = 0.0_dp

Definition at line 45 of file space_groups_types.F.

◆ space_group_number

integer space_groups_types::spgr_type::space_group_number = 0

Definition at line 47 of file space_groups_types.F.

◆ international_symbol

character(len=11) space_groups_types::spgr_type::international_symbol = ""

Definition at line 48 of file space_groups_types.F.

◆ pointgroup_symbol

character(len=6) space_groups_types::spgr_type::pointgroup_symbol = ""

Definition at line 49 of file space_groups_types.F.

◆ schoenflies

character(len=7) space_groups_types::spgr_type::schoenflies = ""

Definition at line 50 of file space_groups_types.F.

◆ n_operations

integer space_groups_types::spgr_type::n_operations = 0

Definition at line 51 of file space_groups_types.F.

◆ n_reduced_operations

integer space_groups_types::spgr_type::n_reduced_operations = 0

Definition at line 52 of file space_groups_types.F.

◆ n_operations_subset

integer space_groups_types::spgr_type::n_operations_subset = 0

Definition at line 53 of file space_groups_types.F.

◆ rotations

integer, dimension(:, :, :), allocatable space_groups_types::spgr_type::rotations

Definition at line 54 of file space_groups_types.F.

◆ rotations_subset

integer, dimension(:, :, :), allocatable space_groups_types::spgr_type::rotations_subset

Definition at line 55 of file space_groups_types.F.

◆ translations

real(kind=dp), dimension(:, :), allocatable space_groups_types::spgr_type::translations

Definition at line 56 of file space_groups_types.F.

◆ cell_ref

type(cell_type), pointer space_groups_types::spgr_type::cell_ref => NULL()

Definition at line 57 of file space_groups_types.F.

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

motion/space_groups_types.F

Data Fields