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Problem with gbasis wrapper #199
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bug
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Hi @JannisErhard, this was reported in issue #195. I just merged the PR #196 and if you pull the last commit from Gbasis it should work now. Let me know if this fixes your issue. |
wow that was fast, yes that resolves my issue thanks |
Perfect! Your message was useful because the PR fixing that problem was already finalized and I was planning to merge it. I will close the issue then. |
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Whenever I try to read scf data from ".molden" or ".fchk", I run into a problem with gbasis. It complains that "AttributeError: 'MolecularBasis' object has no attribute 'get_segmented'". I am actually working with atomdb but the source iof the problem seems to be gbasis.
I am using this code snipped to generate to dump scf data in a molden file
And I use this snippet to the read the file:
It prompts the error
The text was updated successfully, but these errors were encountered: