httk.external.pyspglib_ext module

pyspglib external module

httk.external.pyspglib_ext.analysis(struct, symprec=1e-05)

httk.external.pyspglib_ext.ensure_pyspg_is_imported()

httk.external.pyspglib_ext.primitive(struct, symprec=1e-05)

httk.external.pyspglib_ext.struct_process_with_spglig(struct, symprec=1e-05)

httk.external.pyspglib_ext.structure_to_spglib_atoms(struct)

httk.external.pyspglib_ext.uc_reduced_coordgroups_process_with_spglib_TODO(coordgroup, cell, get_wyckoff=False)

siteutils.py calls this function as

uc_reduced_coordgroups_process_with_isotropy(coordgroups, cell, spacegroup, get_wyckoff=True),

while structureutils.py calls it as

uc_reduced_coordgroups_process_with_isotropy(coordgroups, basis).

Mismatch between number of required arguments, not sure what to do.