Commit 75486af0 authored by Markus Scheidgen's avatar Markus Scheidgen
Browse files

Fixed treatment of unavailable XC functional.

parent ea29a7c9
Pipeline #82152 passed with stages
in 17 minutes and 40 seconds
......@@ -92,7 +92,7 @@ def map_functional_name_to_xc_treatment(name):
if name == config.services.unavailable_value:
return name
return xc_treatments.get(name[:3].lower(), name)
return xc_treatments.get(name[:3].lower(), config.services.unavailable_value)
def map_basis_set_to_basis_set_label(name):
......@@ -397,6 +397,8 @@ class DFTMetadata(MSection):
if len(self.xc_functional_names) > 0:
self.xc_functional = map_functional_name_to_xc_treatment(
get_value(self.xc_functional_names[0]))
else:
self.xc_functional = config.services.unavailable_value
self.quantities = list(quantities)
self.geometries = list(geometries)
......
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