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Published 20 hours ago • verified publisher icon pyscf

KohnShamDFT' has no attribute 'do_nlc'

Open chburger opened this issue 1 year ago • 1 comments

I receive the following error with the latest version strangely even when trying to run the CCSD example.

File "/home/br/gp1/gpu4pyscf/dft/rks.py", line 268, in KohnShamDFT do_nlc = rks.KohnShamDFT.do_nlc AttributeError: type object 'KohnShamDFT' has no attribute 'do_nlc'

chburger avatar Jun 14 '24 21:06 chburger

do_nlc is introduced in PySCF v2.6. The latest version has already adapted the changes. You will need to upgrade PySCF for the latest version in your local environment.

We probably can improve the module import. cc module does not need dft module.

wxj6000 avatar Jun 15 '24 06:06 wxj6000