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dipc-cc / hubbard

Python tools for mean-field Hubbard models
https://dipc-cc.github.io/hubbard/
GNU Lesser General Public License v3.0
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'PulayMixer' object has no attribute 'clear' #130

Closed yuanzhangyu closed 1 year ago

yuanzhangyu commented 1 year ago

Hello,Thanks for reading my question.

When I commute some of the example molecules, anthracenes and clar-goble, I will have an error like this:

Traceback (most recent call last): File "xxx/hubbard/examples/molecules/clar-goblet/compute_FM-AFM.py", line 25, in mixer.clear() AttributeError: 'PulayMixer' object has no attribute 'clear'

But for benzene or kondo paper, it was fine.

Could you please tell me some information about this error?

I use MacOs, python 3.10.8, sisl 0.12.2. Requirement already satisfied: scipy>=0.18 (from sisl) (1.9.1) Requirement already satisfied: netCDF4 (1.6.2) Requirement already satisfied: numpy>=1.13 (from sisl) (1.21.5) Requirement already satisfied: pyparsing>=1.5.7 (from sisl) (3.0.9) Requirement already satisfied: cftime (from netCDF4->sisl) (1.6.2)

sofiasanz commented 1 year ago

Hi, thank you very much for your question. This problem comes from an update in sisl that came after building this example script. I have updated this script and now it should work. Can you update your local repo and run it again? Thanks!!

yuanzhangyu commented 1 year ago

Hi, now is OK. Thanks very much for your prompt reply! This issue can be closed!

yuanzhangyu commented 1 year ago

Sorry, I just ran the anthracenes example, seems it has a same problem.

Traceback (most recent call last): File "...hubbard/examples/molecules/anthracenes/compute.py", line 31, in mixer.clear() AttributeError: 'PulayMixer' object has no attribute 'clear'

Now the clar-goblet example is ok.

sofiasanz commented 1 year ago

Thanks! I have updated all examples scripts in commit 1e1105350c9d053f44bcbc39222eb431ba8be090. You should be able to run them fine.

sofiasanz commented 1 year ago

Can we close this issue now?

yuanzhangyu commented 1 year ago

OK, many thanks! This issue can be closed now.

Sofia Sanz Wuhl @.***>于2022年12月28日 周三21:25写道：

Thanks! I have updated all examples scripts in commit 1e11053 https://github.com/dipc-cc/hubbard/commit/1e1105350c9d053f44bcbc39222eb431ba8be090. You should be able to run them fine.

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