KohnShamDFT' has no attribute 'do_nlc'
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- Dominant language
- Cuda
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- 351
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- 84
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Description
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'
Contributor guide
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Start at dft/rks.py line 268 and inspect why KohnShamDFT lacks do_nlc in the latest PySCF environment. Reproduce the failure with the CCSD example and identify the compatibility issue; done means the example runs without this AttributeError.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- hpc
- Issue type
- Bug
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 35/100