diff --git a/parser/parser-gaussian/parser_gaussian.py b/parser/parser-gaussian/parser_gaussian.py index 7fe185c1fe9a17bdf864abe116404dae86982ee4..cce2f8e3a358a3aa38e79727a4e8d0763e645fcd 100644 --- a/parser/parser-gaussian/parser_gaussian.py +++ b/parser/parser-gaussian/parser_gaussian.py @@ -37,10 +37,10 @@ class GaussianParserContext(object): # just examples, you probably want to remove the following two triggers - def onClose_section_single_point_evaluation(self, backend, gIndex, section): - """trigger called when section_single_point_evaluation is closed""" + def onClose_section_single_configuration_calculation(self, backend, gIndex, section): + """trigger called when section_single_configuration_calculation is closed""" #backend.addValue("", self.scfIterNr) - logging.getLogger("nomadcore.parsing").info("closing section_single_point_evaluation gIndex %d %s", gIndex, section.simpleValues) + logging.getLogger("nomadcore.parsing").info("closing section_single_configuration_calculation gIndex %d %s", gIndex, section.simpleValues) self.scfIterNr = 0 def onClose_section_scf_iteration(self, backend, gIndex, section):