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pyscf / pyscf.github.io

PySCF website and documentation
Apache License 2.0
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How can I obtain and plot the UV-VIS , IR and NMR spectrum #97

Open johTin opened 2 years ago

johTin commented 2 years ago

Hello every body, I do some jobs using Pyscf and I want to trace some spectrums, how can i do? or is there any soft or programs to extract them from log or chk files ?

thanks

ndattani commented 1 year ago

@johTin did you figure out the answer to your problem yet?

This is the page for "issues" about the PySCF documentation and website.

If you want to ask questions about science, or how to do calculations, why not ask it at Matter Modeling Stack Exchange?

johTin commented 1 year ago

thanks ndattani for the Matter Modeling Stack Exchange good .