diff --git a/parser/parser-gpaw/parser.py b/parser/parser-gpaw/parser.py index 4aaa935ae2ce19259504249e1b46bef1379d8295..e41cf84b88d1eb99e9ae6f0213ef11ebfee5113e 100644 --- a/parser/parser-gpaw/parser.py +++ b/parser/parser-gpaw/parser.py @@ -75,7 +75,7 @@ def parse(filename): with o(p, 'section_frame_sequence'): pass with o(p, 'section_method') as method_gid: - #p.addValue('relativity_method', 'pseudo_scalar_relativistic') + p.addValue('relativity_method', 'pseudo_scalar_relativistic') p.addValue('electronic_structure_method', 'DFT') p.addValue('scf_threshold_energy_change', c(r.EnergyError, 'hartree'))