Octopus
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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 |
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) |
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private |
Definition at line 15 of file spglib_f08.F90.
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.
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.
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.