Commit 970f0f8e authored by Ask Hjorth Larsen's avatar Ask Hjorth Larsen
Browse files

pass correct variable for electronic_structure_method

parent b087b0e3
......@@ -207,7 +207,7 @@ class MolcasContext(object):
else:
raise ValueError('method: %s' % method)
backend.addValue('electronic_structure_method', method)
backend.addValue('electronic_structure_method', esm)
for xcfunc in xc:
g = backend.openSection('section_XC_functionals')
backend.addValue('XC_functional_name', xcfunc)
......
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