I am using Dyson orbitals (EOM-IP-CCSD) calculated in QChem5.1.2 to create input for ezDyson calculation. However I get the following error when run the make_xml_IPEA.py script-
make_xml_IPEA.py test.xml Dyson.out
File "/home/soumitra/bin/make_xml_IPEA.py", line 164, in <module>
Dyson_MO_transitions = \""""+str(dyson_transitions)+"""\"
NameError: name 'if_unrestricted' is not defined
However with Dyson orbitals calculated in QChem 5.1, I had no such problem.
Can anyone please comment in this regard ?
Thanks for your help.