diff --git a/parser/parser-orca/orca_parser.py b/parser/parser-orca/orca_parser.py index c8d3961dfe29af1970ebd85a41de6398afd32093..1d3b881c59ca9ff5fd04345c50a90260c9e94b1b 100644 --- a/parser/parser-orca/orca_parser.py +++ b/parser/parser-orca/orca_parser.py @@ -451,7 +451,7 @@ def buildSinglePointSubMatchers(): startReStr = r"\s*ORBITAL ENERGIES\s*", sections = ["section_single_configuration_calculation", "section_dos"], subMatchers = [ - SM(r"\s*(?P<x_orca_orbital_nb>[0-9]+)\s+(?P<x_orca_orbital_occupation_nb>[-+0-9]+)\s+(?P<x_orca_orbital_energy__hartree>[-+0-9.eEdD]+)", repeats = True), + SM(r"\s*(?P<x_orca_orbital_nb>[0-9]+)\s+(?P<x_orca_orbital_occupation_nb>[-+.0-9]+)\s+(?P<x_orca_orbital_energy__hartree>[-+0-9.eEdD]+)", repeats = True), # Mulliken population analysis: SM(name = 'Mulliken population analysis', startReStr = r"\s*\* MULLIKEN POPULATION ANALYSIS \*\s*",