pass correct variable for electronic_structure_method

970f0f8e · Ask Hjorth Larsen · b087b0e3 · 970f0f8e
Commit 970f0f8e authored Feb 03, 2017 by Ask Hjorth Larsen
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parser/parser-molcas/main.py parser/parser-molcas/main.py +1 -1

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--- a/parser/parser-molcas/main.py
+++ b/parser/parser-molcas/main.py
@@ -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)