Octopus
spglib_f08 Module Reference

Data Types

interface  spg_delaunay_reduce
 
interface  spg_find_primitive
 
interface  spg_get_error_code
 
interface  spg_get_international
 
interface  spg_get_ir_reciprocal_mesh
 
interface  spg_get_multiplicity
 
interface  spg_get_pointgroup
 
interface  spg_get_schoenflies
 
interface  spg_get_stabilized_reciprocal_mesh
 
interface  spg_get_symmetry
 
interface  spg_get_symmetry_with_collinear_spin
 
interface  spg_get_symmetry_with_site_tensors
 
interface  spg_niggli_reduce
 
interface  spg_refine_cell
 
interface  spg_standardize_cell
 
interface  spgat_find_primitive
 
interface  spgat_get_international
 
interface  spgat_get_multiplicity
 
interface  spgat_get_schoenflies
 
interface  spgat_get_symmetry
 
interface  spgat_get_symmetry_with_collinear_spin
 
interface  spgat_get_symmetry_with_site_tensors
 
interface  spgat_refine_cell
 
interface  spgat_standardize_cell
 
type  spglibdataset
 
type  spglibspacegrouptype
 

Enumerations

enum  {
  spglib_success = 0 , spgerr_spacegroup_search_failed , spgerr_cell_standardization_failed , spgerr_symmetry_operation_search_failed ,
  spgerr_atoms_too_close , spgerr_pointgroup_not_found , spgerr_niggli_failed , spgerr_delaunay_failed ,
  spgerr_array_size_shortage , spgerr_none
}
 

Functions/Subroutines

character(len=32) function, public spg_get_error_message (spglib_error)
 
type(spglibspacegrouptype) function, public spg_get_spacegroup_type (hall_number)
 
type(spglibdataset) function, public spg_get_dataset (lattice, position, types, num_atom, symprec)
 

Enumeration Type Documentation

◆ anonymous enum

anonymous enum
private
Enumerator
spglib_success 
spgerr_spacegroup_search_failed 
spgerr_cell_standardization_failed 
spgerr_symmetry_operation_search_failed 
spgerr_atoms_too_close 
spgerr_pointgroup_not_found 
spgerr_niggli_failed 
spgerr_delaunay_failed 
spgerr_array_size_shortage 
spgerr_none 

Definition at line 15 of file spglib_f08.F90.

Function/Subroutine Documentation

◆ spg_get_error_message()

character(len=32) function, public spglib_f08::spg_get_error_message ( integer(kind(spglib_success))  spglib_error)

Definition at line 381 of file spglib_f08.F90.

◆ spg_get_spacegroup_type()

type(spglibspacegrouptype) function, public spglib_f08::spg_get_spacegroup_type ( integer(c_int), intent(in)  hall_number)

Definition at line 414 of file spglib_f08.F90.

◆ spg_get_dataset()

type(spglibdataset) function, public spglib_f08::spg_get_dataset ( real(c_double), dimension(3, 3), intent(in)  lattice,
real(c_double), dimension(3, *), intent(in)  position,
integer(c_int), dimension(*), intent(in)  types,
integer(c_int), intent(in), value  num_atom,
real(c_double), intent(in), value  symprec 
)

Definition at line 531 of file spglib_f08.F90.