Error in the example of Clar-goblet

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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Error in the example of Clar-goblet #149

Closed ouzf closed 7 months ago

ouzf commented 8 months ago

I find somethings wrong in the example of Clar-goblet with hubbard-0.4.1

examplePATH=./examples/molecules/clar-goblet

This error seems to only occur after reading the existing density file. If I modify the script without reading the density file, the results look like correct.

By the way, other examples which contain codes of reading the density files also have this issue.

Is it possible that I am not running the examples correctly? Looking forward to your reply.

sofiasanz commented 7 months ago

Hi @ouzf, sorry for the late response! Thank you for your comment, indeed there was a problem due to an outdated way of writing/reading the density file. Now it should be corrected in commit 9780d1fc057bc5cdce5c368b3821e1db14a4fcef. Let me know if you have any other problems :)

ouzf commented 7 months ago

Hi，@sofiasanz, Thank you for your reply. Now the code runs perfectly.