Commit 4260d9ec authored by Mohamed, Fawzi Roberto (fawzi)'s avatar Mohamed, Fawzi Roberto (fawzi)
Browse files

correct opening of scf iteration section

parent ba5b1777
......@@ -419,9 +419,10 @@ def buildSinglePointSubMatchers():
# SCF iterations:
SM(name = 'Orca SCF iterations',
startReStr = r"\s*SCF ITERATIONS\s*",
sections = ["section_scf_iteration"],
subMatchers = [
SM(r"\s*(?P<x_orca_iteration_nb>[0-9]+)\s+(?P<energy_total_scf_iteration__hartree>[-+0-9.eEdD]+)", repeats = True),
SM(r"\s*(?P<x_orca_iteration_nb>[0-9]+)\s+(?P<energy_total_scf_iteration__hartree>[-+0-9.eEdD]+)",
sections = ["section_scf_iteration"],
repeats = True),
]
),
# *****************************************************
......
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