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KohnShamDFT' has no attribute 'do_nlc' #167

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chburger opened this issue Jun 14, 2024 · 1 comment
Open

KohnShamDFT' has no attribute 'do_nlc' #167

chburger opened this issue Jun 14, 2024 · 1 comment

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@chburger
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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'

@wxj6000
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wxj6000 commented Jun 15, 2024

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.

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