[CP2K-user] [CP2K:20752] about molden file for MO visualization

[xuan wang]

Dear cp2k users,

I am now trying to dump the information from MO_molden file for MO 
visualization, and trying to transform the information into datagrid in the 
form of cube with python. I am the newer about this and want to learn about 
how this process can be performed, with the basic chemical princible. 

Is there some manu about how to teach the transformation with the asistance 
of python? 

Thank you very much. 

Best regards,
Xuan

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/ebc40d5d-52fa-489e-94b8-52e9daf81362n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20241007/36eeb393/attachment.htm>