KohnShamDFT' has no attribute 'do_nlc'

pyscf / gpu4pyscf

A plugin to use Nvidia GPU in PySCF package

GNU General Public License v3.0

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KohnShamDFT' has no attribute 'do_nlc' #167

Open chburger opened 3 months ago

chburger commented 3 months ago

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 commented 3 months ago

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.